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 13:35:15 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 17.971 -8.133 15.734 1.00 41.45 ATOM 2 CB MET 1 19.599 -9.511 15.560 1.00 22.52 ATOM 3 HB1 MET 1 20.033 -10.313 16.145 1.00 37.78 ATOM 4 HB2 MET 1 20.365 -8.775 15.357 1.00 41.33 ATOM 5 CG MET 1 19.125 -10.081 14.233 1.00 32.21 ATOM 6 HG1 MET 1 18.692 -9.284 13.646 1.00 37.78 ATOM 7 HG2 MET 1 18.370 -10.828 14.429 1.00 52.41 ATOM 8 SD MET 1 20.456 -10.852 13.293 1.00 71.33 ATOM 9 CE MET 1 20.929 -9.506 12.210 1.00 63.31 ATOM 10 HE1 MET 1 21.251 -8.663 12.803 1.00 70.30 ATOM 11 HE2 MET 1 20.083 -9.217 11.604 1.00 65.13 ATOM 12 HE3 MET 1 21.738 -9.826 11.570 1.00 24.41 ATOM 13 C MET 1 17.499 -9.889 16.866 1.00 71.21 ATOM 14 O MET 1 17.838 -10.733 17.694 1.00 62.52 ATOM 15 N MET 1 19.056 -8.092 17.485 1.00 10.33 ATOM 16 HT1 MET 1 18.300 -7.615 18.022 1.00 37.78 ATOM 17 HT2 MET 1 19.715 -7.364 17.134 1.00 37.78 ATOM 18 HT3 MET 1 19.574 -8.726 18.133 1.00 37.78 ATOM 19 CA MET 1 18.488 -8.840 16.370 1.00 42.45 ATOM 20 N GLY 2 16.273 -9.830 16.354 1.00 0.31 ATOM 21 HN GLY 2 16.056 -9.139 15.684 1.00 37.78 ATOM 22 CA GLY 2 15.254 -10.780 16.758 1.00 73.51 ATOM 23 HA1 GLY 2 15.327 -10.954 17.826 1.00 37.78 ATOM 24 HA2 GLY 2 15.433 -11.714 16.244 1.00 11.45 ATOM 25 C GLY 2 13.853 -10.306 16.424 1.00 64.15 ATOM 26 O GLY 2 13.536 -10.055 15.260 1.00 4.55 ATOM 27 N HIS 3 13.012 -10.185 17.445 1.00 14.21 ATOM 28 HN HIS 3 13.324 -10.385 18.359 1.00 37.78 ATOM 29 CA HIS 3 11.636 -9.738 17.254 1.00 62.45 ATOM 30 HA HIS 3 11.365 -9.853 16.211 1.00 33.54 ATOM 31 CB HIS 3 10.680 -10.588 18.091 1.00 25.42 ATOM 32 HB1 HIS 3 10.844 -11.630 17.857 1.00 37.78 ATOM 33 HB2 HIS 3 9.661 -10.331 17.850 1.00 1.41 ATOM 34 CG HIS 3 10.864 -10.417 19.568 1.00 52.13 ATOM 35 ND1 HIS 3 11.534 -11.330 20.354 1.00 45.21 ATOM 36 HD1 HIS 3 11.947 -12.162 20.040 1.00 21.02 ATOM 37 CD2 HIS 3 10.461 -9.429 20.401 1.00 20.20 ATOM 38 HD2 HIS 3 9.905 -8.544 20.124 1.00 74.14 ATOM 39 CE1 HIS 3 11.535 -10.912 21.607 1.00 33.02 ATOM 40 HE1 HIS 3 11.988 -11.424 22.443 1.00 5.22 ATOM 41 NE2 HIS 3 10.890 -9.761 21.663 1.00 41.53 ATOM 42 HE2 HIS 3 10.662 -9.281 22.486 1.00 37.78 ATOM 43 C HIS 3 11.486 -8.266 17.626 1.00 71.43 ATOM 44 O HIS 3 12.464 -7.598 17.963 1.00 54.33 ATOM 45 N HIS 4 10.256 -7.767 17.562 1.00 75.42 ATOM 46 HN HIS 4 9.512 -8.330 17.247 1.00 37.78 ATOM 47 CA HIS 4 9.978 -6.374 17.892 1.00 35.11 ATOM 48 HA HIS 4 10.779 -5.988 18.511 1.00 53.45 ATOM 49 CB HIS 4 9.896 -5.532 16.618 1.00 21.52 ATOM 50 HB1 HIS 4 10.892 -5.419 16.213 1.00 37.78 ATOM 51 HB2 HIS 4 9.499 -4.552 16.849 1.00 51.12 ATOM 52 CG HIS 4 9.037 -6.140 15.553 1.00 73.23 ATOM 53 ND1 HIS 4 9.435 -6.252 14.237 1.00 20.13 ATOM 54 HD1 HIS 4 10.294 -5.955 13.871 1.00 32.12 ATOM 55 CD2 HIS 4 7.794 -6.672 15.614 1.00 33.44 ATOM 56 HD2 HIS 4 7.166 -6.742 16.488 1.00 61.20 ATOM 57 CE1 HIS 4 8.474 -6.825 13.536 1.00 74.33 ATOM 58 HE1 HIS 4 8.507 -7.041 12.478 1.00 11.12 ATOM 59 NE2 HIS 4 7.467 -7.091 14.348 1.00 15.21 ATOM 60 HE2 HIS 4 6.590 -7.428 14.069 1.00 37.78 ATOM 61 C HIS 4 8.677 -6.252 18.681 1.00 42.33 ATOM 62 O HIS 4 7.908 -7.208 18.782 1.00 23.32 ATOM 63 N HIS 5 8.438 -5.069 19.238 1.00 11.03 ATOM 64 HN HIS 5 9.074 -4.332 19.094 1.00 37.78 ATOM 65 CA HIS 5 7.230 -4.822 20.018 1.00 4.23 ATOM 66 HA HIS 5 6.711 -5.761 20.178 1.00 25.42 ATOM 67 CB HIS 5 7.591 -4.242 21.386 1.00 3.51 ATOM 68 HB1 HIS 5 8.053 -5.017 21.980 1.00 37.78 ATOM 69 HB2 HIS 5 6.695 -3.902 21.889 1.00 20.22 ATOM 70 CG HIS 5 8.548 -3.091 21.315 1.00 32.22 ATOM 71 ND1 HIS 5 9.888 -3.207 21.619 1.00 11.00 ATOM 72 HD1 HIS 5 10.341 -4.027 21.905 1.00 51.14 ATOM 73 CD2 HIS 5 8.352 -1.797 20.971 1.00 41.12 ATOM 74 HD2 HIS 5 7.415 -1.348 20.672 1.00 12.04 ATOM 75 CE1 HIS 5 10.475 -2.033 21.466 1.00 34.34 ATOM 76 HE1 HIS 5 11.521 -1.823 21.633 1.00 62.52 ATOM 77 NE2 HIS 5 9.565 -1.161 21.073 1.00 14.50 ATOM 78 HE2 HIS 5 9.748 -0.237 20.801 1.00 37.78 ATOM 79 C HIS 5 6.292 -3.871 19.281 1.00 62.23 ATOM 80 O HIS 5 6.738 -2.950 18.595 1.00 31.33 ATOM 81 N HIS 6 4.991 -4.101 19.425 1.00 30.12 ATOM 82 HN HIS 6 4.689 -4.846 19.998 1.00 37.78 ATOM 83 CA HIS 6 3.990 -3.265 18.772 1.00 32.14 ATOM 84 HA HIS 6 4.446 -2.753 17.933 1.00 21.10 ATOM 85 CB HIS 6 2.844 -4.126 18.240 1.00 61.41 ATOM 86 HB1 HIS 6 3.255 -4.961 17.690 1.00 37.78 ATOM 87 HB2 HIS 6 2.236 -3.530 17.576 1.00 3.21 ATOM 88 CG HIS 6 1.952 -4.668 19.315 1.00 44.14 ATOM 89 ND1 HIS 6 0.951 -3.927 19.906 1.00 41.10 ATOM 90 HD1 HIS 6 0.718 -3.001 19.688 1.00 55.42 ATOM 91 CD2 HIS 6 1.914 -5.886 19.903 1.00 64.20 ATOM 92 HD2 HIS 6 2.560 -6.724 19.683 1.00 14.04 ATOM 93 CE1 HIS 6 0.337 -4.665 20.813 1.00 70.51 ATOM 94 HE1 HIS 6 -0.487 -4.347 21.434 1.00 33.41 ATOM 95 NE2 HIS 6 0.902 -5.859 20.830 1.00 22.15 ATOM 96 HE2 HIS 6 0.580 -6.629 21.343 1.00 37.78 ATOM 97 C HIS 6 3.447 -2.215 19.737 1.00 53.35 ATOM 98 O HIS 6 3.783 -2.211 20.921 1.00 25.21 ATOM 99 N HIS 7 2.605 -1.324 19.221 1.00 22.02 ATOM 100 HN HIS 7 2.379 -1.372 18.261 1.00 37.78 ATOM 101 CA HIS 7 2.016 -0.268 20.037 1.00 74.23 ATOM 102 HA HIS 7 1.636 -0.712 20.948 1.00 73.02 ATOM 103 CB HIS 7 3.072 0.776 20.398 1.00 2.21 ATOM 104 HB1 HIS 7 3.892 0.286 20.903 1.00 37.78 ATOM 105 HB2 HIS 7 2.637 1.510 21.061 1.00 44.41 ATOM 106 CG HIS 7 3.630 1.500 19.211 1.00 32.32 ATOM 107 ND1 HIS 7 4.811 1.140 18.597 1.00 73.31 ATOM 108 HD1 HIS 7 5.392 0.398 18.864 1.00 33.32 ATOM 109 CD2 HIS 7 3.160 2.567 18.524 1.00 4.43 ATOM 110 HD2 HIS 7 2.248 3.110 18.728 1.00 42.01 ATOM 111 CE1 HIS 7 5.044 1.956 17.585 1.00 64.34 ATOM 112 HE1 HIS 7 5.896 1.914 16.923 1.00 55.51 ATOM 113 NE2 HIS 7 4.058 2.831 17.519 1.00 55.13 ATOM 114 HE2 HIS 7 3.935 3.491 16.805 1.00 37.78 ATOM 115 C HIS 7 0.854 0.398 19.306 1.00 52.01 ATOM 116 O HIS 7 0.635 0.158 18.118 1.00 14.11 ATOM 117 N HIS 8 0.111 1.235 20.024 1.00 44.13 ATOM 118 HN HIS 8 0.328 1.378 20.977 1.00 37.78 ATOM 119 CA HIS 8 -1.029 1.936 19.443 1.00 25.02 ATOM 120 HA HIS 8 -0.742 2.287 18.457 1.00 42.15 ATOM 121 CB HIS 8 -2.217 0.986 19.296 1.00 72.32 ATOM 122 HB1 HIS 8 -2.010 0.295 18.491 1.00 37.78 ATOM 123 HB2 HIS 8 -3.110 1.548 19.053 1.00 15.22 ATOM 124 CG HIS 8 -2.498 0.182 20.528 1.00 1.00 ATOM 125 ND1 HIS 8 -3.298 0.635 21.556 1.00 62.11 ATOM 126 HD1 HIS 8 -3.752 1.503 21.588 1.00 20.24 ATOM 127 CD2 HIS 8 -2.082 -1.053 20.894 1.00 45.05 ATOM 128 HD2 HIS 8 -1.437 -1.707 20.324 1.00 34.41 ATOM 129 CE1 HIS 8 -3.360 -0.286 22.501 1.00 2.11 ATOM 130 HE1 HIS 8 -3.914 -0.207 23.425 1.00 23.41 ATOM 131 NE2 HIS 8 -2.631 -1.320 22.123 1.00 23.54 ATOM 132 HE2 HIS 8 -2.577 -2.176 22.597 1.00 37.78 ATOM 133 C HIS 8 -1.424 3.134 20.301 1.00 45.52 ATOM 134 O HIS 8 -1.662 3.000 21.501 1.00 75.43 ATOM 135 N SER 9 -1.489 4.306 19.677 1.00 13.40 ATOM 136 HN SER 9 -1.286 4.362 18.715 1.00 37.78 ATOM 137 CA SER 9 -1.851 5.529 20.384 1.00 3.41 ATOM 138 HA SER 9 -2.106 5.282 21.409 1.00 3.43 ATOM 139 CB SER 9 -0.667 6.498 20.409 1.00 42.11 ATOM 140 HB1 SER 9 -0.676 7.130 19.529 1.00 37.78 ATOM 141 HB2 SER 9 0.257 5.935 20.429 1.00 13.21 ATOM 142 OG SER 9 -0.705 7.321 21.562 1.00 73.00 ATOM 143 HG SER 9 -0.054 8.021 21.477 1.00 73.23 ATOM 144 C SER 9 -3.056 6.199 19.731 1.00 72.51 ATOM 145 O SER 9 -3.079 6.416 18.519 1.00 74.51 ATOM 146 N HIS 10 -4.057 6.523 20.543 1.00 11.41 ATOM 147 HN HIS 10 -3.993 6.313 21.505 1.00 37.78 ATOM 148 CA HIS 10 -5.267 7.169 20.046 1.00 61.44 ATOM 149 HA HIS 10 -5.043 7.663 19.106 1.00 64.55 ATOM 150 CB HIS 10 -6.367 6.131 19.820 1.00 54.43 ATOM 151 HB1 HIS 10 -7.339 6.607 19.876 1.00 37.78 ATOM 152 HB2 HIS 10 -6.307 5.371 20.586 1.00 41.11 ATOM 153 CG HIS 10 -6.283 5.449 18.489 1.00 31.34 ATOM 154 ND1 HIS 10 -6.302 4.078 18.345 1.00 73.55 ATOM 155 HD1 HIS 10 -6.370 3.427 19.074 1.00 12.10 ATOM 156 CD2 HIS 10 -6.181 5.956 17.239 1.00 44.23 ATOM 157 HD2 HIS 10 -6.140 7.003 16.974 1.00 2.13 ATOM 158 CE1 HIS 10 -6.213 3.771 17.063 1.00 54.14 ATOM 159 HE1 HIS 10 -6.204 2.772 16.652 1.00 2.41 ATOM 160 NE2 HIS 10 -6.139 4.893 16.370 1.00 2.41 ATOM 161 HE2 HIS 10 -5.968 4.952 15.407 1.00 37.78 ATOM 162 C HIS 10 -5.752 8.238 21.019 1.00 2.43 ATOM 163 O HIS 10 -5.321 8.284 22.171 1.00 30.21 ATOM 164 N MET 11 -6.650 9.098 20.548 1.00 64.51 ATOM 165 HN MET 11 -6.960 9.008 19.615 1.00 37.78 ATOM 166 CA MET 11 -7.193 10.167 21.378 1.00 61.44 ATOM 167 HA MET 11 -6.365 10.736 21.782 1.00 31.45 ATOM 168 CB MET 11 -8.073 11.095 20.539 1.00 50.22 ATOM 169 HB1 MET 11 -8.599 11.786 21.189 1.00 37.78 ATOM 170 HB2 MET 11 -8.801 10.492 20.015 1.00 15.55 ATOM 171 CG MET 11 -7.299 11.896 19.505 1.00 44.51 ATOM 172 HG1 MET 11 -8.006 12.307 18.798 1.00 37.78 ATOM 173 HG2 MET 11 -6.622 11.236 18.979 1.00 52.35 ATOM 174 SD MET 11 -6.369 13.258 20.235 1.00 31.02 ATOM 175 CE MET 11 -4.687 12.710 19.953 1.00 35.52 ATOM 176 HE1 MET 11 -4.520 12.592 18.893 1.00 34.43 ATOM 177 HE2 MET 11 -4.529 11.764 20.449 1.00 71.43 ATOM 178 HE3 MET 11 -3.999 13.443 20.347 1.00 33.34 ATOM 179 C MET 11 -7.999 9.596 22.540 1.00 2.24 ATOM 180 O MET 11 -8.219 8.388 22.622 1.00 44.23 ATOM 181 N ALA 12 -8.436 10.473 23.438 1.00 52.31 ATOM 182 HN ALA 12 -8.221 11.429 23.333 1.00 37.78 ATOM 183 CA ALA 12 -9.219 10.057 24.595 1.00 70.52 ATOM 184 HA ALA 12 -9.501 9.015 24.481 1.00 73.24 ATOM 185 CB ALA 12 -8.384 10.162 25.863 1.00 73.15 ATOM 186 HB1 ALA 12 -7.489 9.568 25.752 1.00 4.23 ATOM 187 HB2 ALA 12 -8.954 9.796 26.706 1.00 24.32 ATOM 188 HB3 ALA 12 -8.110 11.194 26.034 1.00 44.21 ATOM 189 C ALA 12 -10.491 10.888 24.726 1.00 44.04 ATOM 190 O ALA 12 -10.458 12.019 25.211 1.00 51.34 ATOM 191 N LYS 13 -11.610 10.321 24.290 1.00 72.14 ATOM 192 HN LYS 13 -11.584 9.414 23.909 1.00 37.78 ATOM 193 CA LYS 13 -12.894 11.009 24.358 1.00 21.01 ATOM 194 HA LYS 13 -13.622 10.415 23.837 1.00 21.53 ATOM 195 CB LYS 13 -13.341 11.154 25.814 1.00 32.34 ATOM 196 HB1 LYS 13 -14.286 11.683 25.846 1.00 37.78 ATOM 197 HB2 LYS 13 -12.603 11.739 26.345 1.00 44.32 ATOM 198 CG LYS 13 -13.487 9.828 26.541 1.00 71.45 ATOM 199 HG1 LYS 13 -13.310 10.003 27.593 1.00 37.78 ATOM 200 HG2 LYS 13 -12.753 9.117 26.180 1.00 33.41 ATOM 201 CD LYS 13 -14.886 9.257 26.383 1.00 73.50 ATOM 202 HD1 LYS 13 -15.605 10.055 26.242 1.00 37.78 ATOM 203 HD2 LYS 13 -15.135 8.714 27.283 1.00 52.01 ATOM 204 CE LYS 13 -14.967 8.296 25.206 1.00 30.04 ATOM 205 HE1 LYS 13 -14.699 7.309 25.552 1.00 37.78 ATOM 206 HE2 LYS 13 -14.280 8.597 24.431 1.00 15.15 ATOM 207 NZ LYS 13 -16.338 8.240 24.629 1.00 55.42 ATOM 208 HZ1 LYS 13 -17.020 7.918 25.347 1.00 22.52 ATOM 209 HZ2 LYS 13 -16.359 7.576 23.829 1.00 11.14 ATOM 210 HZ3 LYS 13 -16.626 9.181 24.288 1.00 51.22 ATOM 211 C LYS 13 -12.810 12.383 23.702 1.00 53.41 ATOM 212 O LYS 13 -12.805 13.418 24.370 1.00 23.51 ATOM 213 N PRO 14 -12.745 12.398 22.362 1.00 30.33 ATOM 214 CA PRO 14 -12.663 13.639 21.587 1.00 63.01 ATOM 215 HA PRO 14 -11.840 14.256 21.923 1.00 33.04 ATOM 216 CB PRO 14 -12.382 13.150 20.164 1.00 51.33 ATOM 217 HB1 PRO 14 -11.316 13.142 19.994 1.00 37.78 ATOM 218 HB2 PRO 14 -12.858 13.793 19.433 1.00 40.12 ATOM 219 CG PRO 14 -12.938 11.769 20.121 1.00 23.42 ATOM 220 HG1 PRO 14 -12.398 11.178 19.396 1.00 37.78 ATOM 221 HG2 PRO 14 -13.988 11.804 19.872 1.00 11.43 ATOM 222 CD PRO 14 -12.747 11.203 21.501 1.00 12.03 ATOM 223 HD1 PRO 14 -11.806 10.677 21.567 1.00 37.78 ATOM 224 HD2 PRO 14 -13.567 10.546 21.744 1.00 72.40 ATOM 225 C PRO 14 -13.962 14.437 21.630 1.00 63.52 ATOM 226 O PRO 14 -15.049 13.882 21.464 1.00 0.41 ATOM 227 N THR 15 -13.842 15.742 21.853 1.00 75.30 ATOM 228 HN THR 15 -12.945 16.137 21.965 1.00 37.78 ATOM 229 CA THR 15 -15.007 16.615 21.918 1.00 11.43 ATOM 230 HA THR 15 -15.868 16.023 22.217 1.00 31.13 ATOM 231 CB THR 15 -14.821 17.721 22.974 1.00 12.25 ATOM 232 HB THR 15 -13.944 18.301 22.720 1.00 1.21 ATOM 233 OG1 THR 15 -14.633 17.137 24.268 1.00 31.50 ATOM 234 HG1 THR 15 -13.721 16.852 24.364 1.00 63.24 ATOM 235 CG2 THR 15 -16.025 18.650 23.003 1.00 53.53 ATOM 236 HG21 THR 15 -15.991 19.244 23.904 1.00 34.01 ATOM 237 HG22 THR 15 -16.941 18.074 22.992 1.00 22.25 ATOM 238 HG23 THR 15 -16.001 19.308 22.146 1.00 74.55 ATOM 239 C THR 15 -15.286 17.262 20.566 1.00 31.32 ATOM 240 O THR 15 -14.440 17.968 20.019 1.00 51.20 ATOM 241 N ALA 16 -16.478 17.016 20.033 1.00 72.43 ATOM 242 HN ALA 16 -17.122 16.451 20.524 1.00 37.78 ATOM 243 CA ALA 16 -16.869 17.576 18.745 1.00 14.34 ATOM 244 HA ALA 16 -16.027 17.488 18.064 1.00 4.43 ATOM 245 CB ALA 16 -18.020 16.778 18.150 1.00 42.21 ATOM 246 HB1 ALA 16 -17.728 15.742 18.061 1.00 32.14 ATOM 247 HB2 ALA 16 -18.264 17.166 17.171 1.00 22.30 ATOM 248 HB3 ALA 16 -18.886 16.852 18.794 1.00 20.43 ATOM 249 C ALA 16 -17.256 19.045 18.881 1.00 14.01 ATOM 250 O ALA 16 -18.334 19.369 19.380 1.00 53.10 ATOM 251 N ARG 17 -16.370 19.929 18.435 1.00 54.32 ATOM 252 HN ARG 17 -15.527 19.614 18.031 1.00 37.78 ATOM 253 CA ARG 17 -16.619 21.364 18.509 1.00 71.15 ATOM 254 HA ARG 17 -17.403 21.536 19.236 1.00 65.11 ATOM 255 CB ARG 17 -15.359 22.099 18.969 1.00 64.43 ATOM 256 HB1 ARG 17 -14.653 22.143 18.148 1.00 37.78 ATOM 257 HB2 ARG 17 -14.904 21.539 19.774 1.00 15.31 ATOM 258 CG ARG 17 -15.620 23.519 19.441 1.00 50.50 ATOM 259 HG1 ARG 17 -16.225 24.036 18.709 1.00 37.78 ATOM 260 HG2 ARG 17 -14.674 24.028 19.548 1.00 11.21 ATOM 261 CD ARG 17 -16.338 23.538 20.781 1.00 33.22 ATOM 262 HD1 ARG 17 -17.282 23.023 20.686 1.00 37.78 ATOM 263 HD2 ARG 17 -16.521 24.566 21.056 1.00 72.33 ATOM 264 NE ARG 17 -15.548 22.906 21.834 1.00 31.33 ATOM 265 HE ARG 17 -14.635 22.610 21.613 1.00 75.50 ATOM 266 CZ ARG 17 -15.991 22.718 23.073 1.00 64.23 ATOM 267 NH1 ARG 17 -17.211 23.111 23.411 1.00 22.10 ATOM 268 HH11 ARG 17 -17.817 23.552 22.751 1.00 41.44 ATOM 269 HH12 ARG 17 -17.537 22.964 24.347 1.00 50.11 ATOM 270 NH2 ARG 17 -15.212 22.135 23.975 1.00 31.14 ATOM 271 HH21 ARG 17 -14.289 21.835 23.725 1.00 62.01 ATOM 272 HH22 ARG 17 -15.543 21.992 24.910 1.00 42.01 ATOM 273 C ARG 17 -17.072 21.907 17.157 1.00 55.33 ATOM 274 O ARG 17 -16.326 21.871 16.180 1.00 41.24 ATOM 275 N GLY 18 -18.302 22.410 17.109 1.00 54.30 ATOM 276 HN GLY 18 -18.865 22.418 17.916 1.00 37.78 ATOM 277 CA GLY 18 -18.834 22.953 15.873 1.00 54.23 ATOM 278 HA1 GLY 18 -19.911 22.877 15.902 1.00 37.78 ATOM 279 HA2 GLY 18 -18.471 22.377 15.030 1.00 50.44 ATOM 280 C GLY 18 -18.461 24.408 15.670 1.00 3.22 ATOM 281 O GLY 18 -17.671 24.964 16.433 1.00 53.21 ATOM 282 N GLU 19 -19.028 25.025 14.638 1.00 11.35 ATOM 283 HN GLU 19 -19.645 24.527 14.051 1.00 37.78 ATOM 284 CA GLU 19 -18.747 26.424 14.337 1.00 11.13 ATOM 285 HA GLU 19 -18.298 26.891 15.208 1.00 52.54 ATOM 286 CB GLU 19 -17.773 26.530 13.162 1.00 52.20 ATOM 287 HB1 GLU 19 -17.782 27.543 12.776 1.00 37.78 ATOM 288 HB2 GLU 19 -18.100 25.856 12.381 1.00 21.44 ATOM 289 CG GLU 19 -16.339 26.188 13.528 1.00 64.04 ATOM 290 HG1 GLU 19 -16.326 25.245 14.058 1.00 37.78 ATOM 291 HG2 GLU 19 -15.950 26.965 14.169 1.00 62.01 ATOM 292 CD GLU 19 -15.439 26.071 12.313 1.00 41.45 ATOM 293 OE1 GLU 19 -15.108 27.119 11.718 1.00 63.53 ATOM 294 OE2 GLU 19 -15.066 24.934 11.956 1.00 13.14 ATOM 295 C GLU 19 -20.033 27.180 14.016 1.00 11.42 ATOM 296 O GLU 19 -21.015 26.593 13.563 1.00 24.31 ATOM 297 N ALA 20 -20.019 28.488 14.255 1.00 31.33 ATOM 298 HN ALA 20 -19.208 28.904 14.633 1.00 37.78 ATOM 299 CA ALA 20 -21.182 29.325 13.991 1.00 54.12 ATOM 300 HA ALA 20 -21.796 28.842 13.236 1.00 74.33 ATOM 301 CB ALA 20 -22.027 29.468 15.248 1.00 2.04 ATOM 302 HB1 ALA 20 -21.456 29.972 16.016 1.00 21.32 ATOM 303 HB2 ALA 20 -22.312 28.488 15.600 1.00 60.13 ATOM 304 HB3 ALA 20 -22.917 30.041 15.026 1.00 73.12 ATOM 305 C ALA 20 -20.765 30.697 13.473 1.00 3.30 ATOM 306 O ALA 20 -19.866 31.332 14.023 1.00 10.14 ATOM 307 N GLY 21 -21.423 31.149 12.410 1.00 51.41 ATOM 308 HN GLY 21 -22.133 30.595 12.005 1.00 37.78 ATOM 309 CA GLY 21 -21.105 32.443 11.835 1.00 2.42 ATOM 310 HA1 GLY 21 -20.175 32.363 11.291 1.00 37.78 ATOM 311 HA2 GLY 21 -20.984 33.172 12.628 1.00 40.11 ATOM 312 C GLY 21 -22.181 32.938 10.889 1.00 2.11 ATOM 313 O GLY 21 -22.660 34.065 11.018 1.00 62.35 ATOM 314 N SER 22 -22.561 32.095 9.935 1.00 62.43 ATOM 315 HN SER 22 -22.143 31.210 9.882 1.00 37.78 ATOM 316 CA SER 22 -23.583 32.454 8.959 1.00 13.42 ATOM 317 HA SER 22 -24.290 33.130 9.425 1.00 53.10 ATOM 318 CB SER 22 -22.948 33.158 7.758 1.00 25.44 ATOM 319 HB1 SER 22 -23.702 33.389 7.021 1.00 37.78 ATOM 320 HB2 SER 22 -22.203 32.513 7.317 1.00 22.14 ATOM 321 OG SER 22 -22.323 34.368 8.148 1.00 3.23 ATOM 322 HG SER 22 -22.052 34.855 7.366 1.00 52.20 ATOM 323 C SER 22 -24.348 31.219 8.493 1.00 12.33 ATOM 324 O SER 22 -24.089 30.106 8.950 1.00 3.03 ATOM 325 N ARG 23 -25.292 31.425 7.581 1.00 53.21 ATOM 326 HN ARG 23 -25.472 32.340 7.264 1.00 37.78 ATOM 327 CA ARG 23 -26.097 30.330 7.053 1.00 23.42 ATOM 328 HA ARG 23 -26.448 29.735 7.888 1.00 53.14 ATOM 329 CB ARG 23 -27.307 30.877 6.294 1.00 21.22 ATOM 330 HB1 ARG 23 -26.971 31.357 5.384 1.00 37.78 ATOM 331 HB2 ARG 23 -27.787 31.620 6.920 1.00 11.25 ATOM 332 CG ARG 23 -28.327 29.812 5.926 1.00 52.12 ATOM 333 HG1 ARG 23 -28.366 29.062 6.706 1.00 37.78 ATOM 334 HG2 ARG 23 -28.025 29.350 4.998 1.00 71.01 ATOM 335 CD ARG 23 -29.716 30.407 5.755 1.00 33.13 ATOM 336 HD1 ARG 23 -29.634 31.400 5.326 1.00 37.78 ATOM 337 HD2 ARG 23 -30.184 30.476 6.726 1.00 61.52 ATOM 338 NE ARG 23 -30.558 29.591 4.884 1.00 43.32 ATOM 339 HE ARG 23 -30.184 28.747 4.538 1.00 71.34 ATOM 340 CZ ARG 23 -31.796 29.924 4.536 1.00 20.15 ATOM 341 NH1 ARG 23 -32.334 31.050 4.984 1.00 4.21 ATOM 342 HH11 ARG 23 -31.826 31.665 5.586 1.00 40.30 ATOM 343 HH12 ARG 23 -33.269 31.294 4.716 1.00 22.00 ATOM 344 NH2 ARG 23 -32.499 29.129 3.739 1.00 1.53 ATOM 345 HH21 ARG 23 -32.099 28.276 3.398 1.00 62.32 ATOM 346 HH22 ARG 23 -33.433 29.378 3.475 1.00 65.53 ATOM 347 C ARG 23 -25.266 29.439 6.134 1.00 51.34 ATOM 348 O ARG 23 -25.553 28.252 5.977 1.00 53.42 ATOM 349 N ASP 24 -24.236 30.020 5.528 1.00 14.40 ATOM 350 HN ASP 24 -24.051 30.975 5.681 1.00 37.78 ATOM 351 CA ASP 24 -23.364 29.280 4.624 1.00 4.13 ATOM 352 HA ASP 24 -23.974 28.610 4.027 1.00 44.24 ATOM 353 CB ASP 24 -22.630 30.242 3.688 1.00 24.52 ATOM 354 HB1 ASP 24 -21.900 29.694 3.105 1.00 37.78 ATOM 355 HB2 ASP 24 -22.122 30.990 4.278 1.00 13.33 ATOM 356 CG ASP 24 -23.569 30.948 2.731 1.00 14.54 ATOM 357 OD1 ASP 24 -24.394 31.760 3.201 1.00 32.54 ATOM 358 OD2 ASP 24 -23.481 30.690 1.513 1.00 63.03 ATOM 359 C ASP 24 -22.356 28.443 5.406 1.00 1.22 ATOM 360 O ASP 24 -21.873 27.422 4.919 1.00 60.30 ATOM 361 N GLU 25 -22.043 28.885 6.620 1.00 30.25 ATOM 362 HN GLU 25 -22.440 29.721 6.955 1.00 37.78 ATOM 363 CA GLU 25 -21.091 28.177 7.468 1.00 31.33 ATOM 364 HA GLU 25 -20.138 28.182 6.963 1.00 54.44 ATOM 365 CB GLU 25 -20.973 28.868 8.828 1.00 33.34 ATOM 366 HB1 GLU 25 -20.679 28.143 9.578 1.00 37.78 ATOM 367 HB2 GLU 25 -21.926 29.273 9.103 1.00 34.25 ATOM 368 CG GLU 25 -19.948 29.989 8.855 1.00 60.22 ATOM 369 HG1 GLU 25 -19.878 30.371 9.863 1.00 37.78 ATOM 370 HG2 GLU 25 -20.278 30.777 8.195 1.00 24.33 ATOM 371 CD GLU 25 -18.572 29.531 8.413 1.00 44.14 ATOM 372 OE1 GLU 25 -17.891 30.301 7.703 1.00 62.12 ATOM 373 OE2 GLU 25 -18.175 28.404 8.776 1.00 75.04 ATOM 374 C GLU 25 -21.510 26.722 7.659 1.00 21.22 ATOM 375 O GLU 25 -20.702 25.806 7.501 1.00 0.54 ATOM 376 N ARG 26 -22.778 26.517 8.000 1.00 0.24 ATOM 377 HN ARG 26 -23.375 27.287 8.083 1.00 37.78 ATOM 378 CA ARG 26 -23.304 25.175 8.215 1.00 74.31 ATOM 379 HA ARG 26 -22.822 24.754 9.077 1.00 42.12 ATOM 380 CB ARG 26 -24.811 25.230 8.472 1.00 34.21 ATOM 381 HB1 ARG 26 -25.194 24.217 8.512 1.00 37.78 ATOM 382 HB2 ARG 26 -25.289 25.741 7.648 1.00 31.44 ATOM 383 CG ARG 26 -25.181 25.908 9.781 1.00 55.32 ATOM 384 HG1 ARG 26 -24.374 25.795 10.494 1.00 37.78 ATOM 385 HG2 ARG 26 -26.069 25.431 10.171 1.00 41.42 ATOM 386 CD ARG 26 -25.463 27.389 9.580 1.00 11.24 ATOM 387 HD1 ARG 26 -25.820 27.564 8.572 1.00 37.78 ATOM 388 HD2 ARG 26 -24.548 27.934 9.727 1.00 65.22 ATOM 389 NE ARG 26 -26.472 27.885 10.512 1.00 11.43 ATOM 390 HE ARG 26 -27.373 28.047 10.156 1.00 71.01 ATOM 391 CZ ARG 26 -26.233 28.123 11.797 1.00 25.11 ATOM 392 NH1 ARG 26 -25.024 27.911 12.300 1.00 71.23 ATOM 393 HH11 ARG 26 -24.273 27.575 11.740 1.00 1.05 ATOM 394 HH12 ARG 26 -24.857 28.093 13.271 1.00 20.43 ATOM 395 NH2 ARG 26 -27.203 28.574 12.582 1.00 62.11 ATOM 396 HH21 ARG 26 -28.119 28.737 12.209 1.00 0.15 ATOM 397 HH22 ARG 26 -27.024 28.754 13.552 1.00 44.15 ATOM 398 C ARG 26 -23.015 24.279 7.014 1.00 61.10 ATOM 399 O ARG 26 -22.700 23.099 7.169 1.00 61.11 ATOM 400 N ARG 27 -23.125 24.848 5.818 1.00 65.21 ATOM 401 HN ARG 27 -23.391 25.796 5.751 1.00 37.78 ATOM 402 CA ARG 27 -22.876 24.101 4.591 1.00 74.41 ATOM 403 HA ARG 27 -23.463 23.190 4.623 1.00 12.33 ATOM 404 CB ARG 27 -23.298 24.924 3.373 1.00 41.52 ATOM 405 HB1 ARG 27 -22.845 24.513 2.502 1.00 37.78 ATOM 406 HB2 ARG 27 -22.946 25.933 3.497 1.00 54.45 ATOM 407 CG ARG 27 -24.801 24.960 3.152 1.00 33.20 ATOM 408 HG1 ARG 27 -25.290 25.208 4.085 1.00 37.78 ATOM 409 HG2 ARG 27 -25.131 23.985 2.823 1.00 33.21 ATOM 410 CD ARG 27 -25.187 25.998 2.110 1.00 71.00 ATOM 411 HD1 ARG 27 -24.493 26.829 2.153 1.00 37.78 ATOM 412 HD2 ARG 27 -26.178 26.365 2.337 1.00 35.22 ATOM 413 NE ARG 27 -25.174 25.447 0.757 1.00 5.15 ATOM 414 HE ARG 27 -24.432 25.712 0.170 1.00 72.53 ATOM 415 CZ ARG 27 -26.102 24.619 0.292 1.00 53.53 ATOM 416 NH1 ARG 27 -27.113 24.249 1.065 1.00 14.43 ATOM 417 HH11 ARG 27 -27.206 24.576 2.001 1.00 42.35 ATOM 418 HH12 ARG 27 -27.806 23.622 0.702 1.00 71.03 ATOM 419 NH2 ARG 27 -26.021 24.161 -0.951 1.00 21.43 ATOM 420 HH21 ARG 27 -25.260 24.438 -1.541 1.00 33.40 ATOM 421 HH22 ARG 27 -26.720 23.536 -1.304 1.00 71.23 ATOM 422 C ARG 27 -21.404 23.719 4.475 1.00 25.12 ATOM 423 O ARG 27 -21.061 22.704 3.869 1.00 21.04 ATOM 424 N ALA 28 -20.537 24.540 5.060 1.00 72.31 ATOM 425 HN ALA 28 -20.858 25.351 5.503 1.00 37.78 ATOM 426 CA ALA 28 -19.102 24.288 5.024 1.00 70.53 ATOM 427 HA ALA 28 -18.826 24.010 4.013 1.00 54.03 ATOM 428 CB ALA 28 -18.335 25.552 5.382 1.00 62.24 ATOM 429 HB1 ALA 28 -17.278 25.389 5.229 1.00 60.41 ATOM 430 HB2 ALA 28 -18.512 25.816 6.414 1.00 10.55 ATOM 431 HB3 ALA 28 -18.667 26.356 4.746 1.00 53.11 ATOM 432 C ALA 28 -18.721 23.151 5.966 1.00 65.54 ATOM 433 O ALA 28 -18.194 22.124 5.535 1.00 62.24 ATOM 434 N LEU 29 -18.989 23.340 7.253 1.00 64.22 ATOM 435 HN LEU 29 -19.384 24.197 7.532 1.00 37.78 ATOM 436 CA LEU 29 -18.673 22.330 8.257 1.00 64.43 ATOM 437 HA LEU 29 -17.603 22.176 8.252 1.00 43.55 ATOM 438 CB LEU 29 -19.095 22.812 9.645 1.00 12.53 ATOM 439 HB1 LEU 29 -18.352 23.531 9.966 1.00 37.78 ATOM 440 HB2 LEU 29 -19.043 21.970 10.330 1.00 71.30 ATOM 441 CG LEU 29 -20.477 23.460 9.739 1.00 75.41 ATOM 442 HG LEU 29 -20.941 23.499 8.768 1.00 72.45 ATOM 443 CD1 LEU 29 -21.392 22.637 10.633 1.00 14.31 ATOM 444 HD11 LEU 29 -22.371 23.095 10.670 1.00 71.00 ATOM 445 HD12 LEU 29 -20.981 22.589 11.632 1.00 54.11 ATOM 446 HD13 LEU 29 -21.483 21.636 10.235 1.00 42.04 ATOM 447 CD2 LEU 29 -20.364 24.886 10.256 1.00 15.23 ATOM 448 HD21 LEU 29 -19.694 25.452 9.626 1.00 44.23 ATOM 449 HD22 LEU 29 -19.971 24.874 11.264 1.00 3.21 ATOM 450 HD23 LEU 29 -21.333 25.357 10.261 1.00 24.22 ATOM 451 C LEU 29 -19.361 21.007 7.934 1.00 13.32 ATOM 452 O LEU 29 -18.870 19.937 8.292 1.00 53.14 ATOM 453 N ALA 30 -20.500 21.090 7.255 1.00 75.34 ATOM 454 HN ALA 30 -20.875 21.971 7.028 1.00 37.78 ATOM 455 CA ALA 30 -21.254 19.900 6.880 1.00 33.20 ATOM 456 HA ALA 30 -21.441 19.320 7.775 1.00 4.33 ATOM 457 CB ALA 30 -22.600 20.292 6.289 1.00 51.15 ATOM 458 HB1 ALA 30 -23.211 20.738 7.058 1.00 2.43 ATOM 459 HB2 ALA 30 -23.104 19.415 5.901 1.00 31.52 ATOM 460 HB3 ALA 30 -22.450 21.004 5.491 1.00 53.11 ATOM 461 C ALA 30 -20.470 19.042 5.893 1.00 74.51 ATOM 462 O ALA 30 -20.458 17.815 5.996 1.00 4.32 ATOM 463 N MET 31 -19.819 19.694 4.936 1.00 5.12 ATOM 464 HN MET 31 -19.862 20.679 4.898 1.00 37.78 ATOM 465 CA MET 31 -19.032 18.989 3.931 1.00 43.43 ATOM 466 HA MET 31 -19.461 18.009 3.776 1.00 24.11 ATOM 467 CB MET 31 -19.048 19.759 2.608 1.00 23.24 ATOM 468 HB1 MET 31 -18.367 19.288 1.908 1.00 37.78 ATOM 469 HB2 MET 31 -18.712 20.769 2.793 1.00 35.10 ATOM 470 CG MET 31 -20.422 19.830 1.963 1.00 33.13 ATOM 471 HG1 MET 31 -20.354 20.446 1.084 1.00 37.78 ATOM 472 HG2 MET 31 -21.120 20.268 2.659 1.00 14.35 ATOM 473 SD MET 31 -21.037 18.212 1.458 1.00 32.24 ATOM 474 CE MET 31 -20.118 17.958 -0.058 1.00 4.24 ATOM 475 HE1 MET 31 -19.104 18.279 0.087 1.00 25.55 ATOM 476 HE2 MET 31 -20.571 18.534 -0.842 1.00 11.45 ATOM 477 HE3 MET 31 -20.132 16.911 -0.320 1.00 13.43 ATOM 478 C MET 31 -17.594 18.796 4.403 1.00 51.14 ATOM 479 O MET 31 -16.798 18.127 3.744 1.00 71.32 ATOM 480 N LYS 32 -17.267 19.387 5.547 1.00 33.31 ATOM 481 HN LYS 32 -17.910 19.933 6.025 1.00 37.78 ATOM 482 CA LYS 32 -15.926 19.279 6.108 1.00 0.24 ATOM 483 HA LYS 32 -15.919 19.802 7.053 1.00 45.34 ATOM 484 CB LYS 32 -15.568 17.811 6.349 1.00 23.02 ATOM 485 HB1 LYS 32 -14.660 17.781 6.937 1.00 37.78 ATOM 486 HB2 LYS 32 -15.385 17.318 5.405 1.00 11.25 ATOM 487 CG LYS 32 -16.645 17.035 7.087 1.00 52.03 ATOM 488 HG1 LYS 32 -17.454 16.818 6.404 1.00 37.78 ATOM 489 HG2 LYS 32 -17.019 17.639 7.904 1.00 44.21 ATOM 490 CD LYS 32 -16.103 15.738 7.663 1.00 62.34 ATOM 491 HD1 LYS 32 -16.815 15.354 8.379 1.00 37.78 ATOM 492 HD2 LYS 32 -15.162 15.927 8.162 1.00 2.10 ATOM 493 CE LYS 32 -15.887 14.694 6.578 1.00 71.42 ATOM 494 HE1 LYS 32 -15.222 13.936 6.965 1.00 37.78 ATOM 495 HE2 LYS 32 -15.432 15.151 5.710 1.00 53.54 ATOM 496 NZ LYS 32 -17.164 14.043 6.172 1.00 2.13 ATOM 497 HZ1 LYS 32 -16.979 13.326 5.442 1.00 74.01 ATOM 498 HZ2 LYS 32 -17.824 14.748 5.785 1.00 75.30 ATOM 499 HZ3 LYS 32 -17.610 13.578 6.990 1.00 13.33 ATOM 500 C LYS 32 -14.896 19.920 5.183 1.00 31.33 ATOM 501 O LYS 32 -13.990 19.248 4.689 1.00 2.31 ATOM 502 N ILE 33 -15.041 21.221 4.955 1.00 62.52 ATOM 503 HN ILE 33 -15.781 21.710 5.388 1.00 37.78 ATOM 504 CA ILE 33 -14.121 21.951 4.091 1.00 32.13 ATOM 505 HA ILE 33 -13.893 21.308 3.257 1.00 52.32 ATOM 506 CB ILE 33 -14.764 23.240 3.547 1.00 1.32 ATOM 507 HB ILE 33 -14.990 23.890 4.381 1.00 23.00 ATOM 508 CG1 ILE 33 -16.063 22.916 2.807 1.00 32.42 ATOM 509 HG11 ILE 33 -16.499 23.832 2.432 1.00 37.78 ATOM 510 HG12 ILE 33 -16.758 22.452 3.491 1.00 60.54 ATOM 511 CG2 ILE 33 -13.794 23.969 2.630 1.00 44.52 ATOM 512 HG21 ILE 33 -13.542 23.355 1.785 1.00 2.23 ATOM 513 HG22 ILE 33 -12.907 24.216 3.161 1.00 13.22 ATOM 514 HG23 ILE 33 -14.255 24.881 2.277 1.00 32.04 ATOM 515 CD1 ILE 33 -15.873 21.980 1.634 1.00 43.11 ATOM 516 HD11 ILE 33 -15.163 22.391 0.936 1.00 45.41 ATOM 517 HD12 ILE 33 -16.821 21.852 1.133 1.00 22.14 ATOM 518 HD13 ILE 33 -15.528 21.019 1.979 1.00 24.32 ATOM 519 C ILE 33 -12.838 22.310 4.833 1.00 31.42 ATOM 520 O ILE 33 -12.861 22.807 5.959 1.00 30.44 ATOM 521 N PRO 34 -11.690 22.054 4.188 1.00 54.32 ATOM 522 CA PRO 34 -10.375 22.345 4.767 1.00 72.35 ATOM 523 HA PRO 34 -10.263 21.897 5.744 1.00 44.12 ATOM 524 CB PRO 34 -9.403 21.686 3.785 1.00 25.34 ATOM 525 HB1 PRO 34 -9.173 20.688 4.128 1.00 37.78 ATOM 526 HB2 PRO 34 -8.487 22.259 3.705 1.00 42.35 ATOM 527 CG PRO 34 -10.138 21.648 2.490 1.00 11.04 ATOM 528 HG1 PRO 34 -9.791 20.815 1.897 1.00 37.78 ATOM 529 HG2 PRO 34 -9.992 22.561 1.965 1.00 62.34 ATOM 530 CD PRO 34 -11.588 21.463 2.843 1.00 31.11 ATOM 531 HD1 PRO 34 -11.836 20.412 2.866 1.00 37.78 ATOM 532 HD2 PRO 34 -12.198 21.972 2.131 1.00 35.32 ATOM 533 C PRO 34 -10.102 23.842 4.863 1.00 71.22 ATOM 534 O PRO 34 -9.551 24.320 5.855 1.00 60.14 ATOM 535 N PHE 35 -10.491 24.577 3.827 1.00 52.42 ATOM 536 HN PHE 35 -10.953 24.147 3.091 1.00 37.78 ATOM 537 CA PHE 35 -10.288 26.021 3.795 1.00 44.03 ATOM 538 HA PHE 35 -9.485 26.263 4.480 1.00 21.13 ATOM 539 CB PHE 35 -9.870 26.467 2.392 1.00 0.51 ATOM 540 HB1 PHE 35 -8.862 26.118 2.207 1.00 37.78 ATOM 541 HB2 PHE 35 -9.874 27.547 2.331 1.00 64.44 ATOM 542 CG PHE 35 -10.758 25.935 1.304 1.00 12.12 ATOM 543 CD1 PHE 35 -10.438 24.760 0.643 1.00 11.13 ATOM 544 HD1 PHE 35 -9.536 24.230 0.907 1.00 73.43 ATOM 545 CD2 PHE 35 -11.914 26.609 0.943 1.00 45.21 ATOM 546 HD2 PHE 35 -12.176 27.526 1.448 1.00 21.00 ATOM 547 CE1 PHE 35 -11.253 24.269 -0.359 1.00 34.44 ATOM 548 HE1 PHE 35 -10.990 23.353 -0.862 1.00 13.52 ATOM 549 CE2 PHE 35 -12.733 26.122 -0.058 1.00 50.21 ATOM 550 HE2 PHE 35 -13.626 26.646 -0.329 1.00 61.52 ATOM 551 CZ PHE 35 -12.403 24.950 -0.709 1.00 21.31 ATOM 552 HZ PHE 35 -13.039 24.569 -1.492 1.00 32.15 ATOM 553 C PHE 35 -11.554 26.759 4.219 1.00 32.53 ATOM 554 O PHE 35 -12.668 26.243 4.115 1.00 45.32 ATOM 555 N PRO 36 -11.382 27.994 4.711 1.00 1.50 ATOM 556 CA PRO 36 -12.499 28.830 5.162 1.00 61.03 ATOM 557 HA PRO 36 -13.111 28.312 5.888 1.00 12.43 ATOM 558 CB PRO 36 -11.805 30.018 5.832 1.00 10.24 ATOM 559 HB1 PRO 36 -11.712 29.825 6.890 1.00 37.78 ATOM 560 HB2 PRO 36 -12.369 30.929 5.681 1.00 73.04 ATOM 561 CG PRO 36 -10.466 30.090 5.184 1.00 41.55 ATOM 562 HG1 PRO 36 -9.750 30.527 5.864 1.00 37.78 ATOM 563 HG2 PRO 36 -10.532 30.669 4.289 1.00 5.03 ATOM 564 CD PRO 36 -10.083 28.672 4.864 1.00 33.33 ATOM 565 HD1 PRO 36 -9.518 28.243 5.678 1.00 37.78 ATOM 566 HD2 PRO 36 -9.510 28.647 3.957 1.00 15.20 ATOM 567 C PRO 36 -13.371 29.306 4.005 1.00 65.14 ATOM 568 O PRO 36 -12.920 29.372 2.860 1.00 34.11 ATOM 569 N THR 37 -14.621 29.638 4.309 1.00 34.33 ATOM 570 HN THR 37 -14.913 29.595 5.250 1.00 37.78 ATOM 571 CA THR 37 -15.556 30.107 3.295 1.00 54.04 ATOM 572 HA THR 37 -15.491 29.449 2.451 1.00 63.14 ATOM 573 CB THR 37 -17.007 30.079 3.812 1.00 51.42 ATOM 574 HB THR 37 -17.673 30.284 2.985 1.00 2.43 ATOM 575 OG1 THR 37 -17.187 31.082 4.819 1.00 74.45 ATOM 576 HG1 THR 37 -18.113 31.333 4.863 1.00 63.03 ATOM 577 CG2 THR 37 -17.352 28.712 4.383 1.00 52.25 ATOM 578 HG21 THR 37 -18.398 28.693 4.652 1.00 21.55 ATOM 579 HG22 THR 37 -16.756 28.521 5.261 1.00 60.15 ATOM 580 HG23 THR 37 -17.160 27.947 3.643 1.00 10.12 ATOM 581 C THR 37 -15.216 31.524 2.846 1.00 23.51 ATOM 582 O THR 37 -15.310 31.850 1.663 1.00 63.43 ATOM 583 N ASP 38 -14.819 32.361 3.798 1.00 52.11 ATOM 584 HN ASP 38 -14.815 32.052 4.733 1.00 37.78 ATOM 585 CA ASP 38 -14.462 33.743 3.500 1.00 14.41 ATOM 586 HA ASP 38 -15.348 34.246 3.140 1.00 51.32 ATOM 587 CB ASP 38 -13.972 34.450 4.765 1.00 61.21 ATOM 588 HB1 ASP 38 -14.821 34.644 5.405 1.00 37.78 ATOM 589 HB2 ASP 38 -13.507 35.393 4.505 1.00 52.31 ATOM 590 CG ASP 38 -12.971 33.617 5.542 1.00 14.01 ATOM 591 OD1 ASP 38 -11.803 33.535 5.108 1.00 31.30 ATOM 592 OD2 ASP 38 -13.356 33.048 6.585 1.00 54.32 ATOM 593 C ASP 38 -13.389 33.806 2.418 1.00 4.44 ATOM 594 O ASP 38 -13.369 34.727 1.601 1.00 63.43 ATOM 595 N LYS 39 -12.496 32.822 2.420 1.00 3.43 ATOM 596 HN LYS 39 -12.544 32.119 3.109 1.00 37.78 ATOM 597 CA LYS 39 -11.418 32.764 1.440 1.00 51.52 ATOM 598 HA LYS 39 -10.924 33.722 1.418 1.00 22.04 ATOM 599 CB LYS 39 -10.392 31.703 1.842 1.00 64.03 ATOM 600 HB1 LYS 39 -10.886 30.746 1.929 1.00 37.78 ATOM 601 HB2 LYS 39 -9.986 31.981 2.804 1.00 51.20 ATOM 602 CG LYS 39 -9.241 31.567 0.859 1.00 31.25 ATOM 603 HG1 LYS 39 -8.875 32.549 0.594 1.00 37.78 ATOM 604 HG2 LYS 39 -9.612 31.069 -0.020 1.00 24.12 ATOM 605 CD LYS 39 -8.110 30.733 1.438 1.00 42.31 ATOM 606 HD1 LYS 39 -7.653 30.173 0.635 1.00 37.78 ATOM 607 HD2 LYS 39 -8.496 30.042 2.178 1.00 21.43 ATOM 608 CE LYS 39 -7.047 31.608 2.084 1.00 1.43 ATOM 609 HE1 LYS 39 -7.525 32.411 2.632 1.00 37.78 ATOM 610 HE2 LYS 39 -6.424 32.026 1.308 1.00 62.10 ATOM 611 NZ LYS 39 -6.190 30.836 3.026 1.00 41.01 ATOM 612 HZ1 LYS 39 -5.475 31.462 3.449 1.00 24.24 ATOM 613 HZ2 LYS 39 -5.702 30.066 2.524 1.00 61.33 ATOM 614 HZ3 LYS 39 -6.768 30.427 3.789 1.00 1.33 ATOM 615 C LYS 39 -11.964 32.458 0.049 1.00 60.02 ATOM 616 O LYS 39 -11.352 32.811 -0.960 1.00 12.43 ATOM 617 N ILE 40 -13.118 31.801 0.003 1.00 62.33 ATOM 618 HN ILE 40 -13.557 31.537 0.831 1.00 37.78 ATOM 619 CA ILE 40 -13.746 31.450 -1.265 1.00 33.22 ATOM 620 HA ILE 40 -13.013 30.933 -1.875 1.00 53.14 ATOM 621 CB ILE 40 -14.949 30.511 -1.056 1.00 13.12 ATOM 622 HB ILE 40 -15.686 31.025 -0.460 1.00 32.10 ATOM 623 CG1 ILE 40 -14.511 29.238 -0.329 1.00 5.33 ATOM 624 HG11 ILE 40 -13.964 29.494 0.566 1.00 37.78 ATOM 625 HG12 ILE 40 -13.869 28.661 -0.977 1.00 13.04 ATOM 626 CG2 ILE 40 -15.593 30.170 -2.391 1.00 61.44 ATOM 627 HG21 ILE 40 -15.713 29.103 -2.505 1.00 20.31 ATOM 628 HG22 ILE 40 -15.008 30.538 -3.213 1.00 61.02 ATOM 629 HG23 ILE 40 -16.567 30.629 -2.421 1.00 54.20 ATOM 630 CD1 ILE 40 -15.664 28.354 0.091 1.00 1.32 ATOM 631 HD11 ILE 40 -16.110 27.901 -0.777 1.00 72.42 ATOM 632 HD12 ILE 40 -16.410 28.944 0.604 1.00 62.41 ATOM 633 HD13 ILE 40 -15.302 27.582 0.753 1.00 12.53 ATOM 634 C ILE 40 -14.211 32.696 -2.011 1.00 75.52 ATOM 635 O ILE 40 -14.174 32.746 -3.241 1.00 2.13 ATOM 636 N VAL 41 -14.649 33.701 -1.259 1.00 62.41 ATOM 637 HN VAL 41 -14.678 33.606 -0.279 1.00 37.78 ATOM 638 CA VAL 41 -15.119 34.949 -1.849 1.00 23.52 ATOM 639 HA VAL 41 -15.398 34.767 -2.883 1.00 63.23 ATOM 640 CB VAL 41 -16.361 35.484 -1.113 1.00 10.33 ATOM 641 HB VAL 41 -16.067 35.805 -0.121 1.00 4.45 ATOM 642 CG1 VAL 41 -16.941 36.684 -1.847 1.00 31.41 ATOM 643 HG11 VAL 41 -17.131 36.426 -2.880 1.00 24.22 ATOM 644 HG12 VAL 41 -16.250 37.511 -1.803 1.00 50.51 ATOM 645 HG13 VAL 41 -17.871 36.982 -1.380 1.00 53.41 ATOM 646 CG2 VAL 41 -17.404 34.387 -0.960 1.00 4.12 ATOM 647 HG21 VAL 41 -17.684 34.020 -1.933 1.00 53.13 ATOM 648 HG22 VAL 41 -18.278 34.784 -0.462 1.00 5.53 ATOM 649 HG23 VAL 41 -17.001 33.576 -0.371 1.00 65.32 ATOM 650 C VAL 41 -14.028 36.013 -1.824 1.00 1.35 ATOM 651 O VAL 41 -14.028 36.936 -2.637 1.00 70.34 ATOM 652 N ASN 42 -13.099 35.878 -0.883 1.00 45.30 ATOM 653 HN ASN 42 -13.148 35.129 -0.249 1.00 37.78 ATOM 654 CA ASN 42 -12.001 36.829 -0.751 1.00 42.32 ATOM 655 HA ASN 42 -12.411 37.832 -0.809 1.00 40.33 ATOM 656 CB ASN 42 -11.299 36.647 0.596 1.00 32.42 ATOM 657 HB1 ASN 42 -10.258 36.938 0.508 1.00 37.78 ATOM 658 HB2 ASN 42 -11.341 35.620 0.893 1.00 73.42 ATOM 659 CG ASN 42 -11.918 37.496 1.690 1.00 63.21 ATOM 660 OD1 ASN 42 -11.212 38.150 2.457 1.00 4.31 ATOM 661 ND2 ASN 42 -13.243 37.488 1.766 1.00 15.31 ATOM 662 HD21 ASN 42 -13.770 36.949 1.146 1.00 45.15 ATOM 663 HD22 ASN 42 -13.653 38.040 2.464 1.00 4.05 ATOM 664 C ASN 42 -10.996 36.661 -1.887 1.00 52.51 ATOM 665 O ASN 42 -10.579 37.638 -2.511 1.00 52.14 ATOM 666 N LEU 43 -10.612 35.417 -2.150 1.00 42.44 ATOM 667 HN LEU 43 -10.978 34.673 -1.613 1.00 37.78 ATOM 668 CA LEU 43 -9.656 35.120 -3.212 1.00 54.30 ATOM 669 HA LEU 43 -8.780 35.717 -3.022 1.00 61.12 ATOM 670 CB LEU 43 -9.289 33.635 -3.194 1.00 14.41 ATOM 671 HB1 LEU 43 -8.967 33.335 -4.184 1.00 37.78 ATOM 672 HB2 LEU 43 -10.184 33.077 -2.967 1.00 52.45 ATOM 673 CG LEU 43 -8.199 33.225 -2.203 1.00 53.51 ATOM 674 HG LEU 43 -8.479 33.559 -1.217 1.00 53.23 ATOM 675 CD1 LEU 43 -8.052 31.712 -2.168 1.00 3.33 ATOM 676 HD11 LEU 43 -7.375 31.435 -1.373 1.00 64.30 ATOM 677 HD12 LEU 43 -7.659 31.362 -3.113 1.00 21.35 ATOM 678 HD13 LEU 43 -9.014 31.254 -1.995 1.00 53.44 ATOM 679 CD2 LEU 43 -6.876 33.884 -2.564 1.00 24.01 ATOM 680 HD21 LEU 43 -6.550 33.542 -3.535 1.00 64.43 ATOM 681 HD22 LEU 43 -6.131 33.615 -1.827 1.00 31.31 ATOM 682 HD23 LEU 43 -6.982 34.956 -2.576 1.00 12.25 ATOM 683 C LEU 43 -10.223 35.499 -4.576 1.00 52.15 ATOM 684 O LEU 43 -11.434 35.623 -4.760 1.00 53.22 ATOM 685 N PRO 44 -9.329 35.686 -5.558 1.00 65.42 ATOM 686 CA PRO 44 -9.716 36.050 -6.924 1.00 55.11 ATOM 687 HA PRO 44 -10.346 36.928 -6.937 1.00 33.42 ATOM 688 CB PRO 44 -8.380 36.368 -7.599 1.00 52.53 ATOM 689 HB1 PRO 44 -8.188 37.428 -7.526 1.00 37.78 ATOM 690 HB2 PRO 44 -8.395 36.077 -8.643 1.00 51.44 ATOM 691 CG PRO 44 -7.371 35.589 -6.829 1.00 32.10 ATOM 692 HG1 PRO 44 -6.406 36.071 -6.882 1.00 37.78 ATOM 693 HG2 PRO 44 -7.325 34.613 -7.235 1.00 24.33 ATOM 694 CD PRO 44 -7.869 35.554 -5.411 1.00 13.54 ATOM 695 HD1 PRO 44 -7.461 36.379 -4.846 1.00 37.78 ATOM 696 HD2 PRO 44 -7.602 34.630 -4.968 1.00 22.22 ATOM 697 C PRO 44 -10.422 34.910 -7.650 1.00 62.32 ATOM 698 O PRO 44 -10.504 33.792 -7.140 1.00 15.41 ATOM 699 N VAL 45 -10.929 35.199 -8.844 1.00 70.45 ATOM 700 HN VAL 45 -10.834 36.115 -9.198 1.00 37.78 ATOM 701 CA VAL 45 -11.626 34.196 -9.642 1.00 12.53 ATOM 702 HA VAL 45 -12.364 33.715 -9.008 1.00 34.50 ATOM 703 CB VAL 45 -12.358 34.838 -10.835 1.00 42.54 ATOM 704 HB VAL 45 -12.964 35.652 -10.464 1.00 15.41 ATOM 705 CG1 VAL 45 -11.358 35.405 -11.833 1.00 35.34 ATOM 706 HG11 VAL 45 -10.646 36.040 -11.326 1.00 45.41 ATOM 707 HG12 VAL 45 -11.890 35.992 -12.567 1.00 33.50 ATOM 708 HG13 VAL 45 -10.832 34.606 -12.337 1.00 41.52 ATOM 709 CG2 VAL 45 -13.276 33.826 -11.504 1.00 44.31 ATOM 710 HG21 VAL 45 -13.948 33.402 -10.770 1.00 51.32 ATOM 711 HG22 VAL 45 -12.694 33.036 -11.956 1.00 70.11 ATOM 712 HG23 VAL 45 -13.856 34.322 -12.269 1.00 75.01 ATOM 713 C VAL 45 -10.660 33.138 -10.162 1.00 3.24 ATOM 714 O VAL 45 -11.054 32.005 -10.439 1.00 51.42 ATOM 715 N ASP 46 -9.392 33.515 -10.290 1.00 74.35 ATOM 716 HN ASP 46 -9.126 34.435 -10.061 1.00 37.78 ATOM 717 CA ASP 46 -8.368 32.597 -10.776 1.00 2.53 ATOM 718 HA ASP 46 -8.797 32.012 -11.584 1.00 72.44 ATOM 719 CB ASP 46 -7.164 33.378 -11.305 1.00 62.14 ATOM 720 HB1 ASP 46 -6.454 33.576 -10.514 1.00 37.78 ATOM 721 HB2 ASP 46 -7.506 34.323 -11.704 1.00 42.41 ATOM 722 CG ASP 46 -6.445 32.646 -12.422 1.00 11.12 ATOM 723 OD1 ASP 46 -6.996 32.583 -13.541 1.00 61.40 ATOM 724 OD2 ASP 46 -5.331 32.138 -12.177 1.00 34.34 ATOM 725 C ASP 46 -7.925 31.643 -9.671 1.00 11.53 ATOM 726 O ASP 46 -8.093 30.429 -9.782 1.00 23.24 ATOM 727 N ASP 47 -7.359 32.201 -8.607 1.00 4.35 ATOM 728 HN ASP 47 -7.258 33.176 -8.578 1.00 37.78 ATOM 729 CA ASP 47 -6.891 31.400 -7.481 1.00 14.41 ATOM 730 HA ASP 47 -6.059 30.800 -7.822 1.00 54.13 ATOM 731 CB ASP 47 -6.421 32.307 -6.343 1.00 11.24 ATOM 732 HB1 ASP 47 -6.123 31.696 -5.500 1.00 37.78 ATOM 733 HB2 ASP 47 -7.230 32.942 -6.043 1.00 15.22 ATOM 734 CG ASP 47 -5.237 33.166 -6.739 1.00 5.53 ATOM 735 OD1 ASP 47 -4.898 34.096 -5.977 1.00 43.33 ATOM 736 OD2 ASP 47 -4.649 32.910 -7.810 1.00 62.35 ATOM 737 C ASP 47 -7.992 30.468 -6.984 1.00 3.03 ATOM 738 O ASP 47 -7.723 29.344 -6.559 1.00 45.12 ATOM 739 N PHE 48 -9.232 30.943 -7.038 1.00 62.42 ATOM 740 HN PHE 48 -9.391 31.860 -7.363 1.00 37.78 ATOM 741 CA PHE 48 -10.373 30.152 -6.591 1.00 50.44 ATOM 742 HA PHE 48 -10.200 29.858 -5.564 1.00 61.43 ATOM 743 CB PHE 48 -11.654 30.987 -6.654 1.00 1.15 ATOM 744 HB1 PHE 48 -11.726 31.443 -7.633 1.00 37.78 ATOM 745 HB2 PHE 48 -11.599 31.766 -5.906 1.00 34.32 ATOM 746 CG PHE 48 -12.901 30.191 -6.396 1.00 32.01 ATOM 747 CD1 PHE 48 -13.889 30.093 -7.363 1.00 3.32 ATOM 748 HD1 PHE 48 -13.759 30.594 -8.313 1.00 63.41 ATOM 749 CD2 PHE 48 -13.086 29.541 -5.186 1.00 74.24 ATOM 750 HD2 PHE 48 -12.324 29.607 -4.421 1.00 3.22 ATOM 751 CE1 PHE 48 -15.038 29.361 -7.129 1.00 43.21 ATOM 752 HE1 PHE 48 -15.799 29.289 -7.892 1.00 64.04 ATOM 753 CE2 PHE 48 -14.233 28.807 -4.947 1.00 61.02 ATOM 754 HE2 PHE 48 -14.356 28.320 -4.004 1.00 44.22 ATOM 755 CZ PHE 48 -15.210 28.718 -5.919 1.00 53.12 ATOM 756 HZ PHE 48 -16.107 28.146 -5.734 1.00 3.13 ATOM 757 C PHE 48 -10.530 28.895 -7.441 1.00 52.05 ATOM 758 O PHE 48 -10.591 27.783 -6.919 1.00 1.24 ATOM 759 N ASN 49 -10.596 29.081 -8.756 1.00 0.11 ATOM 760 HN ASN 49 -10.545 29.999 -9.116 1.00 37.78 ATOM 761 CA ASN 49 -10.747 27.963 -9.679 1.00 73.45 ATOM 762 HA ASN 49 -11.718 27.517 -9.507 1.00 71.12 ATOM 763 CB ASN 49 -10.663 28.454 -11.126 1.00 73.31 ATOM 764 HB1 ASN 49 -10.508 27.611 -11.789 1.00 37.78 ATOM 765 HB2 ASN 49 -9.827 29.133 -11.220 1.00 31.44 ATOM 766 CG ASN 49 -11.925 29.169 -11.568 1.00 13.21 ATOM 767 OD1 ASN 49 -13.032 28.801 -11.172 1.00 44.53 ATOM 768 ND2 ASN 49 -11.764 30.197 -12.393 1.00 13.32 ATOM 769 HD21 ASN 49 -10.855 30.447 -12.677 1.00 72.44 ATOM 770 HD22 ASN 49 -12.568 30.673 -12.690 1.00 14.33 ATOM 771 C ASN 49 -9.680 26.901 -9.428 1.00 54.41 ATOM 772 O ASN 49 -9.924 25.709 -9.608 1.00 24.41 ATOM 773 N GLU 50 -8.499 27.345 -9.011 1.00 43.10 ATOM 774 HN GLU 50 -8.345 28.312 -8.905 1.00 37.78 ATOM 775 CA GLU 50 -7.395 26.433 -8.735 1.00 41.13 ATOM 776 HA GLU 50 -7.451 25.601 -9.428 1.00 14.43 ATOM 777 CB GLU 50 -6.055 27.146 -8.928 1.00 2.04 ATOM 778 HB1 GLU 50 -5.258 26.543 -8.505 1.00 37.78 ATOM 779 HB2 GLU 50 -6.090 28.089 -8.401 1.00 75.24 ATOM 780 CG GLU 50 -5.722 27.434 -10.382 1.00 3.02 ATOM 781 HG1 GLU 50 -4.994 28.232 -10.414 1.00 37.78 ATOM 782 HG2 GLU 50 -6.617 27.751 -10.901 1.00 14.23 ATOM 783 CD GLU 50 -5.148 26.228 -11.099 1.00 25.52 ATOM 784 OE1 GLU 50 -5.890 25.243 -11.293 1.00 75.00 ATOM 785 OE2 GLU 50 -3.954 26.269 -11.466 1.00 35.31 ATOM 786 C GLU 50 -7.489 25.878 -7.317 1.00 72.20 ATOM 787 O GLU 50 -6.981 24.794 -7.027 1.00 62.13 ATOM 788 N LEU 51 -8.142 26.628 -6.437 1.00 13.23 ATOM 789 HN LEU 51 -8.485 27.501 -6.705 1.00 37.78 ATOM 790 CA LEU 51 -8.304 26.213 -5.048 1.00 23.44 ATOM 791 HA LEU 51 -7.327 26.001 -4.644 1.00 34.23 ATOM 792 CB LEU 51 -8.931 27.340 -4.227 1.00 14.51 ATOM 793 HB1 LEU 51 -9.907 27.545 -4.645 1.00 37.78 ATOM 794 HB2 LEU 51 -8.323 28.227 -4.355 1.00 52.20 ATOM 795 CG LEU 51 -9.098 27.070 -2.731 1.00 61.32 ATOM 796 HG LEU 51 -9.487 26.076 -2.577 1.00 11.03 ATOM 797 CD1 LEU 51 -7.756 27.156 -2.021 1.00 31.24 ATOM 798 HD11 LEU 51 -7.887 26.940 -0.969 1.00 32.44 ATOM 799 HD12 LEU 51 -7.345 28.150 -2.134 1.00 52.22 ATOM 800 HD13 LEU 51 -7.073 26.435 -2.449 1.00 53.23 ATOM 801 CD2 LEU 51 -10.091 28.047 -2.120 1.00 11.05 ATOM 802 HD21 LEU 51 -11.046 27.952 -2.618 1.00 22.05 ATOM 803 HD22 LEU 51 -9.726 29.059 -2.235 1.00 33.22 ATOM 804 HD23 LEU 51 -10.216 27.828 -1.068 1.00 64.53 ATOM 805 C LEU 51 -9.165 24.958 -4.951 1.00 75.23 ATOM 806 O LEU 51 -9.048 24.182 -4.001 1.00 51.35 ATOM 807 N LEU 52 -10.030 24.763 -5.941 1.00 21.30 ATOM 808 HN LEU 52 -10.104 25.424 -6.666 1.00 37.78 ATOM 809 CA LEU 52 -10.911 23.600 -5.970 1.00 4.14 ATOM 810 HA LEU 52 -11.394 23.539 -5.018 1.00 35.11 ATOM 811 CB LEU 52 -11.975 23.769 -7.055 1.00 33.21 ATOM 812 HB1 LEU 52 -12.499 22.836 -7.168 1.00 37.78 ATOM 813 HB2 LEU 52 -11.460 23.980 -7.983 1.00 64.22 ATOM 814 CG LEU 52 -13.008 24.871 -6.816 1.00 75.51 ATOM 815 HG LEU 52 -12.495 25.790 -6.570 1.00 61.44 ATOM 816 CD1 LEU 52 -13.829 25.115 -8.073 1.00 64.22 ATOM 817 HD11 LEU 52 -14.363 24.214 -8.342 1.00 24.11 ATOM 818 HD12 LEU 52 -13.173 25.399 -8.885 1.00 25.21 ATOM 819 HD13 LEU 52 -14.538 25.912 -7.895 1.00 32.45 ATOM 820 CD2 LEU 52 -13.914 24.508 -5.648 1.00 53.12 ATOM 821 HD21 LEU 52 -14.334 23.523 -5.801 1.00 44.34 ATOM 822 HD22 LEU 52 -14.714 25.225 -5.583 1.00 40.42 ATOM 823 HD23 LEU 52 -13.342 24.518 -4.734 1.00 24.04 ATOM 824 C LEU 52 -10.116 22.321 -6.215 1.00 13.21 ATOM 825 O LEU 52 -10.365 21.294 -5.585 1.00 20.14 ATOM 826 N ALA 53 -9.158 22.393 -7.133 1.00 75.44 ATOM 827 HN ALA 53 -8.999 23.243 -7.608 1.00 37.78 ATOM 828 CA ALA 53 -8.325 21.242 -7.459 1.00 2.12 ATOM 829 HA ALA 53 -8.921 20.341 -7.364 1.00 14.31 ATOM 830 CB ALA 53 -7.848 21.327 -8.901 1.00 71.22 ATOM 831 HB1 ALA 53 -7.226 22.202 -9.028 1.00 1.32 ATOM 832 HB2 ALA 53 -8.703 21.398 -9.557 1.00 23.33 ATOM 833 HB3 ALA 53 -7.280 20.441 -9.150 1.00 32.10 ATOM 834 C ALA 53 -7.134 21.141 -6.511 1.00 52.42 ATOM 835 O ALA 53 -6.593 20.057 -6.292 1.00 50.54 ATOM 836 N ARG 54 -6.731 22.278 -5.952 1.00 61.33 ATOM 837 HN ARG 54 -7.188 23.121 -6.174 1.00 37.78 ATOM 838 CA ARG 54 -5.603 22.317 -5.030 1.00 3.03 ATOM 839 HA ARG 54 -4.743 21.890 -5.532 1.00 61.14 ATOM 840 CB ARG 54 -5.293 23.761 -4.631 1.00 2.02 ATOM 841 HB1 ARG 54 -4.886 23.778 -3.625 1.00 37.78 ATOM 842 HB2 ARG 54 -6.206 24.330 -4.640 1.00 23.21 ATOM 843 CG ARG 54 -4.290 24.444 -5.547 1.00 15.13 ATOM 844 HG1 ARG 54 -4.686 24.478 -6.548 1.00 37.78 ATOM 845 HG2 ARG 54 -3.374 23.869 -5.544 1.00 44.32 ATOM 846 CD ARG 54 -3.985 25.859 -5.082 1.00 14.54 ATOM 847 HD1 ARG 54 -4.013 25.897 -3.998 1.00 37.78 ATOM 848 HD2 ARG 54 -4.736 26.523 -5.482 1.00 12.51 ATOM 849 NE ARG 54 -2.671 26.311 -5.530 1.00 2.45 ATOM 850 HE ARG 54 -2.147 25.708 -6.108 1.00 25.11 ATOM 851 CZ ARG 54 -2.147 27.487 -5.202 1.00 1.23 ATOM 852 NH1 ARG 54 -2.822 28.325 -4.427 1.00 73.20 ATOM 853 HH11 ARG 54 -3.729 28.093 -4.077 1.00 37.78 ATOM 854 HH12 ARG 54 -2.419 29.210 -4.184 1.00 0.23 ATOM 855 NH2 ARG 54 -0.945 27.827 -5.649 1.00 24.03 ATOM 856 HH21 ARG 54 -0.429 27.199 -6.235 1.00 14.03 ATOM 857 HH22 ARG 54 -0.548 28.714 -5.403 1.00 33.04 ATOM 858 C ARG 54 -5.890 21.484 -3.784 1.00 11.32 ATOM 859 O ARG 54 -5.006 20.806 -3.261 1.00 21.42 ATOM 860 N TYR 55 -7.131 21.542 -3.314 1.00 31.24 ATOM 861 HN TYR 55 -7.804 22.100 -3.768 1.00 37.78 ATOM 862 CA TYR 55 -7.534 20.796 -2.128 1.00 33.34 ATOM 863 HA TYR 55 -6.639 20.499 -1.594 1.00 23.14 ATOM 864 CB TYR 55 -8.383 21.677 -1.209 1.00 63.20 ATOM 865 HB1 TYR 55 -8.959 21.061 -0.530 1.00 37.78 ATOM 866 HB2 TYR 55 -9.073 22.249 -1.816 1.00 15.14 ATOM 867 CG TYR 55 -7.571 22.655 -0.389 1.00 75.43 ATOM 868 CD1 TYR 55 -7.349 22.440 0.965 1.00 31.41 ATOM 869 HD1 TYR 55 -7.751 21.556 1.430 1.00 61.44 ATOM 870 CD2 TYR 55 -7.026 23.793 -0.970 1.00 14.30 ATOM 871 HD2 TYR 55 -7.187 23.978 -2.023 1.00 21.14 ATOM 872 CE1 TYR 55 -6.609 23.331 1.718 1.00 73.22 ATOM 873 HE1 TYR 55 -6.447 23.146 2.770 1.00 41.43 ATOM 874 CE2 TYR 55 -6.284 24.689 -0.225 1.00 41.23 ATOM 875 HE2 TYR 55 -5.869 25.568 -0.695 1.00 73.13 ATOM 876 CZ TYR 55 -6.079 24.454 1.118 1.00 24.22 ATOM 877 OH TYR 55 -5.340 25.343 1.864 1.00 3.32 ATOM 878 HH TYR 55 -4.478 24.965 2.063 1.00 55.11 ATOM 879 C TYR 55 -8.315 19.542 -2.512 1.00 2.33 ATOM 880 O TYR 55 -8.886 19.444 -3.598 1.00 22.20 ATOM 881 N PRO 56 -8.341 18.560 -1.599 1.00 13.14 ATOM 882 CA PRO 56 -9.049 17.295 -1.817 1.00 40.11 ATOM 883 HA PRO 56 -8.743 16.823 -2.740 1.00 32.44 ATOM 884 CB PRO 56 -8.609 16.433 -0.631 1.00 14.32 ATOM 885 HB1 PRO 56 -7.751 15.845 -0.922 1.00 37.78 ATOM 886 HB2 PRO 56 -9.402 15.770 -0.310 1.00 1.04 ATOM 887 CG PRO 56 -8.243 17.411 0.432 1.00 31.42 ATOM 888 HG1 PRO 56 -7.497 16.982 1.085 1.00 37.78 ATOM 889 HG2 PRO 56 -9.122 17.687 0.995 1.00 72.42 ATOM 890 CD PRO 56 -7.683 18.609 -0.282 1.00 41.24 ATOM 891 HD1 PRO 56 -6.611 18.519 -0.383 1.00 37.78 ATOM 892 HD2 PRO 56 -7.934 19.501 0.259 1.00 61.51 ATOM 893 C PRO 56 -10.564 17.470 -1.816 1.00 3.53 ATOM 894 O PRO 56 -11.228 17.216 -0.810 1.00 24.41 ATOM 895 N LEU 57 -11.105 17.907 -2.948 1.00 30.53 ATOM 896 HN LEU 57 -10.530 18.093 -3.726 1.00 37.78 ATOM 897 CA LEU 57 -12.543 18.116 -3.077 1.00 60.54 ATOM 898 HA LEU 57 -13.014 17.922 -2.128 1.00 43.54 ATOM 899 CB LEU 57 -12.835 19.567 -3.462 1.00 4.11 ATOM 900 HB1 LEU 57 -13.906 19.719 -3.453 1.00 37.78 ATOM 901 HB2 LEU 57 -12.471 19.719 -4.467 1.00 23.53 ATOM 902 CG LEU 57 -12.185 20.637 -2.584 1.00 14.41 ATOM 903 HG LEU 57 -11.117 20.475 -2.559 1.00 23.02 ATOM 904 CD1 LEU 57 -12.434 22.023 -3.159 1.00 71.04 ATOM 905 HD11 LEU 57 -11.769 22.733 -2.700 1.00 55.11 ATOM 906 HD12 LEU 57 -13.455 22.315 -2.979 1.00 42.14 ATOM 907 HD13 LEU 57 -12.261 22.004 -4.219 1.00 41.03 ATOM 908 CD2 LEU 57 -12.710 20.548 -1.158 1.00 41.02 ATOM 909 HD21 LEU 57 -12.482 19.575 -0.746 1.00 62.34 ATOM 910 HD22 LEU 57 -13.781 20.698 -1.152 1.00 14.14 ATOM 911 HD23 LEU 57 -12.239 21.309 -0.550 1.00 70.50 ATOM 912 C LEU 57 -13.139 17.172 -4.118 1.00 3.43 ATOM 913 O LEU 57 -12.565 16.969 -5.188 1.00 73.25 ATOM 914 N THR 58 -14.295 16.600 -3.797 1.00 21.21 ATOM 915 HN THR 58 -14.697 16.777 -2.921 1.00 37.78 ATOM 916 CA THR 58 -14.969 15.679 -4.703 1.00 54.34 ATOM 917 HA THR 58 -14.258 15.313 -5.438 1.00 10.34 ATOM 918 CB THR 58 -15.537 14.462 -3.949 1.00 4.23 ATOM 919 HB THR 58 -16.127 13.860 -4.628 1.00 12.43 ATOM 920 OG1 THR 58 -16.372 14.900 -2.871 1.00 73.34 ATOM 921 HG1 THR 58 -17.006 14.212 -2.653 1.00 32.33 ATOM 922 CG2 THR 58 -14.414 13.591 -3.405 1.00 10.41 ATOM 923 HG21 THR 58 -13.806 14.168 -2.723 1.00 31.30 ATOM 924 HG22 THR 58 -13.802 13.236 -4.222 1.00 75.25 ATOM 925 HG23 THR 58 -14.837 12.746 -2.882 1.00 42.11 ATOM 926 C THR 58 -16.103 16.374 -5.449 1.00 61.13 ATOM 927 O THR 58 -16.408 17.537 -5.189 1.00 1.15 ATOM 928 N GLU 59 -16.724 15.653 -6.377 1.00 61.45 ATOM 929 HN GLU 59 -16.424 14.730 -6.554 1.00 37.78 ATOM 930 CA GLU 59 -17.824 16.202 -7.161 1.00 35.42 ATOM 931 HA GLU 59 -17.429 17.002 -7.773 1.00 25.25 ATOM 932 CB GLU 59 -18.429 15.121 -8.060 1.00 22.23 ATOM 933 HB1 GLU 59 -19.488 15.320 -8.188 1.00 37.78 ATOM 934 HB2 GLU 59 -18.314 14.156 -7.585 1.00 61.04 ATOM 935 CG GLU 59 -17.793 15.049 -9.438 1.00 3.43 ATOM 936 HG1 GLU 59 -16.803 14.629 -9.341 1.00 37.78 ATOM 937 HG2 GLU 59 -17.721 16.047 -9.848 1.00 64.11 ATOM 938 CD GLU 59 -18.589 14.194 -10.404 1.00 64.30 ATOM 939 OE1 GLU 59 -18.049 13.851 -11.477 1.00 32.13 ATOM 940 OE2 GLU 59 -19.751 13.867 -10.087 1.00 34.34 ATOM 941 C GLU 59 -18.903 16.783 -6.251 1.00 44.51 ATOM 942 O GLU 59 -19.606 17.721 -6.626 1.00 12.52 ATOM 943 N SER 60 -19.026 16.219 -5.054 1.00 54.10 ATOM 944 HN SER 60 -18.469 15.445 -4.813 1.00 37.78 ATOM 945 CA SER 60 -20.021 16.678 -4.092 1.00 12.13 ATOM 946 HA SER 60 -20.936 16.908 -4.625 1.00 75.53 ATOM 947 CB SER 60 -20.317 15.579 -3.069 1.00 53.41 ATOM 948 HB1 SER 60 -19.597 15.612 -2.260 1.00 37.78 ATOM 949 HB2 SER 60 -20.259 14.614 -3.554 1.00 15.43 ATOM 950 OG SER 60 -21.620 15.723 -2.529 1.00 62.45 ATOM 951 HG SER 60 -21.619 16.411 -1.859 1.00 73.33 ATOM 952 C SER 60 -19.544 17.939 -3.377 1.00 35.10 ATOM 953 O SER 60 -20.330 18.849 -3.112 1.00 23.41 ATOM 954 N GLN 61 -18.252 17.984 -3.068 1.00 75.23 ATOM 955 HN GLN 61 -17.668 17.223 -3.298 1.00 37.78 ATOM 956 CA GLN 61 -17.671 19.132 -2.384 1.00 4.14 ATOM 957 HA GLN 61 -18.308 19.397 -1.553 1.00 40.45 ATOM 958 CB GLN 61 -16.283 18.782 -1.844 1.00 63.44 ATOM 959 HB1 GLN 61 -15.869 19.663 -1.366 1.00 37.78 ATOM 960 HB2 GLN 61 -15.650 18.507 -2.670 1.00 42.44 ATOM 961 CG GLN 61 -16.291 17.644 -0.836 1.00 12.42 ATOM 962 HG1 GLN 61 -16.233 16.714 -1.368 1.00 37.78 ATOM 963 HG2 GLN 61 -17.206 17.668 -0.268 1.00 71.51 ATOM 964 CD GLN 61 -15.125 17.713 0.131 1.00 72.44 ATOM 965 OE1 GLN 61 -14.032 17.227 -0.162 1.00 32.41 ATOM 966 NE2 GLN 61 -15.352 18.318 1.290 1.00 2.34 ATOM 967 HE21 GLN 61 -16.246 18.688 1.470 1.00 21.13 ATOM 968 HE22 GLN 61 -14.610 18.373 1.928 1.00 73.01 ATOM 969 C GLN 61 -17.578 20.334 -3.318 1.00 65.54 ATOM 970 O GLN 61 -18.077 21.416 -3.007 1.00 71.35 ATOM 971 N LEU 62 -16.935 20.137 -4.464 1.00 60.33 ATOM 972 HN LEU 62 -16.562 19.248 -4.656 1.00 37.78 ATOM 973 CA LEU 62 -16.776 21.205 -5.445 1.00 62.54 ATOM 974 HA LEU 62 -16.134 21.961 -5.013 1.00 41.22 ATOM 975 CB LEU 62 -16.127 20.661 -6.719 1.00 62.34 ATOM 976 HB1 LEU 62 -16.377 21.337 -7.532 1.00 37.78 ATOM 977 HB2 LEU 62 -16.579 19.702 -6.945 1.00 11.32 ATOM 978 CG LEU 62 -14.606 20.504 -6.684 1.00 11.41 ATOM 979 HG LEU 62 -14.189 21.161 -5.931 1.00 74.30 ATOM 980 CD1 LEU 62 -14.225 19.079 -6.317 1.00 65.33 ATOM 981 HD11 LEU 62 -13.151 18.976 -6.335 1.00 25.24 ATOM 982 HD12 LEU 62 -14.663 18.388 -7.024 1.00 65.30 ATOM 983 HD13 LEU 62 -14.590 18.869 -5.338 1.00 11.02 ATOM 984 CD2 LEU 62 -13.999 20.893 -8.024 1.00 4.32 ATOM 985 HD21 LEU 62 -14.381 20.244 -8.801 1.00 42.11 ATOM 986 HD22 LEU 62 -12.923 20.800 -7.976 1.00 63.40 ATOM 987 HD23 LEU 62 -14.256 21.918 -8.255 1.00 4.10 ATOM 988 C LEU 62 -18.120 21.843 -5.779 1.00 35.33 ATOM 989 O LEU 62 -18.211 23.053 -5.983 1.00 23.12 ATOM 990 N ALA 63 -19.163 21.021 -5.830 1.00 34.42 ATOM 991 HN ALA 63 -19.031 20.056 -5.675 1.00 37.78 ATOM 992 CA ALA 63 -20.504 21.505 -6.134 1.00 10.33 ATOM 993 HA ALA 63 -20.483 21.968 -7.112 1.00 45.32 ATOM 994 CB ALA 63 -21.486 20.344 -6.186 1.00 42.11 ATOM 995 HB1 ALA 63 -22.470 20.710 -6.446 1.00 24.43 ATOM 996 HB2 ALA 63 -21.526 19.858 -5.222 1.00 22.31 ATOM 997 HB3 ALA 63 -21.160 19.634 -6.931 1.00 64.53 ATOM 998 C ALA 63 -20.959 22.539 -5.110 1.00 11.53 ATOM 999 O ALA 63 -21.705 23.464 -5.435 1.00 50.12 ATOM 1000 N LEU 64 -20.507 22.378 -3.871 1.00 63.43 ATOM 1001 HN LEU 64 -19.927 21.616 -3.659 1.00 37.78 ATOM 1002 CA LEU 64 -20.868 23.298 -2.798 1.00 71.43 ATOM 1003 HA LEU 64 -21.892 23.619 -2.947 1.00 73.11 ATOM 1004 CB LEU 64 -20.773 22.594 -1.443 1.00 54.22 ATOM 1005 HB1 LEU 64 -19.768 22.203 -1.360 1.00 37.78 ATOM 1006 HB2 LEU 64 -21.452 21.749 -1.464 1.00 13.44 ATOM 1007 CG LEU 64 -21.079 23.455 -0.217 1.00 52.32 ATOM 1008 HG LEU 64 -20.949 24.502 -0.447 1.00 21.32 ATOM 1009 CD1 LEU 64 -22.524 23.269 0.219 1.00 51.10 ATOM 1010 HD11 LEU 64 -23.156 23.117 -0.647 1.00 33.24 ATOM 1011 HD12 LEU 64 -22.852 24.156 0.725 1.00 5.21 ATOM 1012 HD13 LEU 64 -22.619 22.417 0.880 1.00 51.43 ATOM 1013 CD2 LEU 64 -20.128 23.118 0.922 1.00 35.31 ATOM 1014 HD21 LEU 64 -20.544 22.354 1.540 1.00 24.04 ATOM 1015 HD22 LEU 64 -19.980 24.003 1.522 1.00 64.23 ATOM 1016 HD23 LEU 64 -19.168 22.793 0.542 1.00 70.43 ATOM 1017 C LEU 64 -19.967 24.528 -2.809 1.00 42.14 ATOM 1018 O LEU 64 -20.444 25.661 -2.745 1.00 33.02 ATOM 1019 N VAL 65 -18.660 24.298 -2.894 1.00 34.31 ATOM 1020 HN VAL 65 -18.347 23.369 -2.960 1.00 37.78 ATOM 1021 CA VAL 65 -17.692 25.387 -2.917 1.00 41.32 ATOM 1022 HA VAL 65 -17.707 25.864 -1.951 1.00 32.24 ATOM 1023 CB VAL 65 -16.267 24.866 -3.181 1.00 23.02 ATOM 1024 HB VAL 65 -16.244 24.406 -4.160 1.00 34.23 ATOM 1025 CG1 VAL 65 -15.268 26.013 -3.171 1.00 1.23 ATOM 1026 HG11 VAL 65 -15.425 26.634 -2.303 1.00 11.34 ATOM 1027 HG12 VAL 65 -15.403 26.596 -4.059 1.00 5.13 ATOM 1028 HG13 VAL 65 -14.259 25.627 -3.152 1.00 4.43 ATOM 1029 CG2 VAL 65 -15.888 23.809 -2.154 1.00 40.40 ATOM 1030 HG21 VAL 65 -16.443 22.911 -2.333 1.00 0.21 ATOM 1031 HG22 VAL 65 -16.102 24.170 -1.157 1.00 3.14 ATOM 1032 HG23 VAL 65 -14.837 23.591 -2.228 1.00 43.34 ATOM 1033 C VAL 65 -18.049 26.418 -3.982 1.00 74.23 ATOM 1034 O VAL 65 -17.775 27.608 -3.826 1.00 65.45 ATOM 1035 N ARG 66 -18.664 25.953 -5.065 1.00 35.32 ATOM 1036 HN ARG 66 -18.829 24.987 -5.161 1.00 37.78 ATOM 1037 CA ARG 66 -19.059 26.834 -6.157 1.00 15.01 ATOM 1038 HA ARG 66 -18.243 27.519 -6.358 1.00 24.11 ATOM 1039 CB ARG 66 -19.345 26.020 -7.420 1.00 64.51 ATOM 1040 HB1 ARG 66 -19.854 26.650 -8.142 1.00 37.78 ATOM 1041 HB2 ARG 66 -19.991 25.192 -7.162 1.00 11.11 ATOM 1042 CG ARG 66 -18.094 25.463 -8.081 1.00 32.20 ATOM 1043 HG1 ARG 66 -17.604 24.786 -7.405 1.00 37.78 ATOM 1044 HG2 ARG 66 -17.429 26.283 -8.311 1.00 60.33 ATOM 1045 CD ARG 66 -18.425 24.730 -9.372 1.00 14.32 ATOM 1046 HD1 ARG 66 -19.117 25.326 -9.954 1.00 37.78 ATOM 1047 HD2 ARG 66 -18.888 23.786 -9.122 1.00 0.21 ATOM 1048 NE ARG 66 -17.235 24.478 -10.179 1.00 43.41 ATOM 1049 HE ARG 66 -16.377 24.848 -9.865 1.00 22.21 ATOM 1050 CZ ARG 66 -17.247 23.781 -11.309 1.00 73.34 ATOM 1051 NH1 ARG 66 -18.383 23.269 -11.764 1.00 22.54 ATOM 1052 HH11 ARG 66 -19.244 23.395 -11.273 1.00 11.12 ATOM 1053 HH12 ARG 66 -18.383 22.744 -12.618 1.00 22.54 ATOM 1054 NH2 ARG 66 -16.122 23.594 -11.988 1.00 54.41 ATOM 1055 HH21 ARG 66 -15.260 23.978 -11.650 1.00 4.20 ATOM 1056 HH22 ARG 66 -16.129 23.068 -12.841 1.00 41.14 ATOM 1057 C ARG 66 -20.291 27.652 -5.778 1.00 25.15 ATOM 1058 O ARG 66 -20.413 28.818 -6.152 1.00 41.21 ATOM 1059 N ASP 67 -21.200 27.032 -5.033 1.00 44.11 ATOM 1060 HN ASP 67 -21.061 26.092 -4.777 1.00 37.78 ATOM 1061 CA ASP 67 -22.421 27.702 -4.602 1.00 51.23 ATOM 1062 HA ASP 67 -22.864 28.176 -5.471 1.00 32.44 ATOM 1063 CB ASP 67 -23.409 26.687 -4.025 1.00 43.01 ATOM 1064 HB1 ASP 67 -23.189 26.506 -2.980 1.00 37.78 ATOM 1065 HB2 ASP 67 -23.314 25.755 -4.567 1.00 32.43 ATOM 1066 CG ASP 67 -24.848 27.150 -4.140 1.00 21.41 ATOM 1067 OD1 ASP 67 -25.679 26.377 -4.660 1.00 73.12 ATOM 1068 OD2 ASP 67 -25.143 28.285 -3.710 1.00 63.22 ATOM 1069 C ASP 67 -22.114 28.778 -3.565 1.00 61.02 ATOM 1070 O ASP 67 -22.673 29.874 -3.609 1.00 53.14 ATOM 1071 N ILE 68 -21.223 28.457 -2.633 1.00 71.22 ATOM 1072 HN ILE 68 -20.798 27.571 -2.664 1.00 37.78 ATOM 1073 CA ILE 68 -20.842 29.396 -1.585 1.00 71.24 ATOM 1074 HA ILE 68 -21.701 29.546 -0.944 1.00 64.24 ATOM 1075 CB ILE 68 -19.685 28.846 -0.731 1.00 3.53 ATOM 1076 HB ILE 68 -18.831 28.693 -1.379 1.00 51.12 ATOM 1077 CG1 ILE 68 -20.080 27.513 -0.094 1.00 35.30 ATOM 1078 HG11 ILE 68 -20.612 26.899 -0.793 1.00 37.78 ATOM 1079 HG12 ILE 68 -20.725 27.697 0.755 1.00 74.44 ATOM 1080 CG2 ILE 68 -19.292 29.854 0.339 1.00 45.30 ATOM 1081 HG21 ILE 68 -18.833 30.718 -0.117 1.00 72.14 ATOM 1082 HG22 ILE 68 -18.582 29.403 1.020 1.00 44.54 ATOM 1083 HG23 ILE 68 -20.168 30.162 0.894 1.00 31.22 ATOM 1084 CD1 ILE 68 -18.901 26.706 0.402 1.00 43.05 ATOM 1085 HD11 ILE 68 -18.020 26.927 -0.182 1.00 51.13 ATOM 1086 HD12 ILE 68 -19.129 25.654 0.318 1.00 32.23 ATOM 1087 HD13 ILE 68 -18.713 26.949 1.438 1.00 20.12 ATOM 1088 C ILE 68 -20.430 30.740 -2.175 1.00 40.24 ATOM 1089 O ILE 68 -20.908 31.791 -1.747 1.00 34.52 ATOM 1090 N ARG 69 -19.541 30.700 -3.162 1.00 63.52 ATOM 1091 HN ARG 69 -19.195 29.826 -3.465 1.00 37.78 ATOM 1092 CA ARG 69 -19.064 31.915 -3.812 1.00 74.40 ATOM 1093 HA ARG 69 -18.693 32.579 -3.047 1.00 2.40 ATOM 1094 CB ARG 69 -17.927 31.588 -4.781 1.00 63.20 ATOM 1095 HB1 ARG 69 -18.333 31.061 -5.636 1.00 37.78 ATOM 1096 HB2 ARG 69 -17.226 30.946 -4.292 1.00 60.34 ATOM 1097 CG ARG 69 -17.189 32.815 -5.291 1.00 15.21 ATOM 1098 HG1 ARG 69 -16.829 33.384 -4.445 1.00 37.78 ATOM 1099 HG2 ARG 69 -17.872 33.421 -5.868 1.00 21.45 ATOM 1100 CD ARG 69 -16.004 32.431 -6.162 1.00 61.04 ATOM 1101 HD1 ARG 69 -15.570 31.526 -5.775 1.00 37.78 ATOM 1102 HD2 ARG 69 -15.261 33.214 -6.103 1.00 31.24 ATOM 1103 NE ARG 69 -16.393 32.220 -7.554 1.00 52.41 ATOM 1104 HE ARG 69 -16.549 31.305 -7.847 1.00 31.41 ATOM 1105 CZ ARG 69 -16.567 33.207 -8.426 1.00 44.32 ATOM 1106 NH1 ARG 69 -16.386 34.466 -8.052 1.00 43.30 ATOM 1107 HH11 ARG 69 -16.121 34.692 -7.124 1.00 25.15 ATOM 1108 HH12 ARG 69 -16.519 35.205 -8.716 1.00 23.40 ATOM 1109 NH2 ARG 69 -16.921 32.936 -9.676 1.00 31.44 ATOM 1110 HH21 ARG 69 -17.058 31.987 -9.966 1.00 71.34 ATOM 1111 HH22 ARG 69 -17.053 33.679 -10.335 1.00 35.10 ATOM 1112 C ARG 69 -20.198 32.612 -4.558 1.00 40.13 ATOM 1113 O ARG 69 -20.257 33.841 -4.610 1.00 65.22 ATOM 1114 N ARG 70 -21.096 31.820 -5.135 1.00 24.32 ATOM 1115 HN ARG 70 -20.993 30.841 -5.075 1.00 37.78 ATOM 1116 CA ARG 70 -22.226 32.361 -5.880 1.00 31.14 ATOM 1117 HA ARG 70 -21.839 32.990 -6.671 1.00 13.21 ATOM 1118 CB ARG 70 -23.041 31.228 -6.507 1.00 25.24 ATOM 1119 HB1 ARG 70 -23.259 30.494 -5.754 1.00 37.78 ATOM 1120 HB2 ARG 70 -22.438 30.766 -7.277 1.00 60.11 ATOM 1121 CG ARG 70 -24.356 31.687 -7.114 1.00 43.25 ATOM 1122 HG1 ARG 70 -24.258 32.705 -7.471 1.00 37.78 ATOM 1123 HG2 ARG 70 -25.123 31.644 -6.356 1.00 24.10 ATOM 1124 CD ARG 70 -24.770 30.802 -8.280 1.00 0.42 ATOM 1125 HD1 ARG 70 -24.658 29.762 -7.998 1.00 37.78 ATOM 1126 HD2 ARG 70 -24.121 31.019 -9.116 1.00 3.24 ATOM 1127 NE ARG 70 -26.156 31.033 -8.676 1.00 55.13 ATOM 1128 HE ARG 70 -26.716 31.594 -8.090 1.00 11.03 ATOM 1129 CZ ARG 70 -26.700 30.526 -9.777 1.00 71.11 ATOM 1130 NH1 ARG 70 -25.978 29.763 -10.586 1.00 51.12 ATOM 1131 HH11 ARG 70 -25.022 29.552 -10.390 1.00 52.34 ATOM 1132 HH12 ARG 70 -26.397 29.386 -11.415 1.00 13.41 ATOM 1133 NH2 ARG 70 -27.969 30.781 -10.070 1.00 41.11 ATOM 1134 HH21 ARG 70 -28.520 31.356 -9.462 1.00 74.54 ATOM 1135 HH22 ARG 70 -28.381 30.400 -10.900 1.00 10.13 ATOM 1136 C ARG 70 -23.120 33.204 -4.975 1.00 20.34 ATOM 1137 O ARG 70 -23.633 34.244 -5.387 1.00 73.12 ATOM 1138 N ARG 71 -23.302 32.747 -3.740 1.00 3.12 ATOM 1139 HN ARG 71 -22.871 31.904 -3.463 1.00 37.78 ATOM 1140 CA ARG 71 -24.135 33.458 -2.777 1.00 63.23 ATOM 1141 HA ARG 71 -25.053 33.748 -3.272 1.00 22.34 ATOM 1142 CB ARG 71 -24.465 32.552 -1.590 1.00 1.05 ATOM 1143 HB1 ARG 71 -24.726 33.158 -0.728 1.00 37.78 ATOM 1144 HB2 ARG 71 -23.589 31.968 -1.344 1.00 70.50 ATOM 1145 CG ARG 71 -25.609 31.588 -1.858 1.00 52.40 ATOM 1146 HG1 ARG 71 -25.598 30.819 -1.100 1.00 37.78 ATOM 1147 HG2 ARG 71 -25.477 31.134 -2.831 1.00 65.44 ATOM 1148 CD ARG 71 -26.955 32.296 -1.818 1.00 5.21 ATOM 1149 HD1 ARG 71 -26.884 33.246 -2.331 1.00 37.78 ATOM 1150 HD2 ARG 71 -27.211 32.469 -0.783 1.00 71.12 ATOM 1151 NE ARG 71 -28.009 31.504 -2.446 1.00 44.22 ATOM 1152 HE ARG 71 -27.742 30.714 -2.973 1.00 60.31 ATOM 1153 CZ ARG 71 -29.302 31.793 -2.349 1.00 45.14 ATOM 1154 NH1 ARG 71 -29.698 32.850 -1.654 1.00 22.13 ATOM 1155 HH11 ARG 71 -29.044 33.448 -1.195 1.00 72.43 ATOM 1156 HH12 ARG 71 -30.676 33.058 -1.585 1.00 70.14 ATOM 1157 NH2 ARG 71 -30.201 31.024 -2.950 1.00 11.23 ATOM 1158 HH21 ARG 71 -29.908 30.224 -3.478 1.00 71.21 ATOM 1159 HH22 ARG 71 -31.177 31.239 -2.878 1.00 43.31 ATOM 1160 C ARG 71 -23.439 34.724 -2.287 1.00 51.30 ATOM 1161 O ARG 71 -24.048 35.791 -2.215 1.00 21.12 ATOM 1162 N GLY 72 -22.159 34.598 -1.950 1.00 61.14 ATOM 1163 HN GLY 72 -21.713 33.724 -2.015 1.00 37.78 ATOM 1164 CA GLY 72 -21.402 35.739 -1.471 1.00 1.34 ATOM 1165 HA1 GLY 72 -20.406 35.410 -1.215 1.00 37.78 ATOM 1166 HA2 GLY 72 -21.876 36.134 -0.582 1.00 55.22 ATOM 1167 C GLY 72 -21.299 36.843 -2.504 1.00 53.05 ATOM 1168 O GLY 72 -21.294 38.026 -2.163 1.00 34.11 ATOM 1169 N LYS 73 -21.215 36.457 -3.773 1.00 52.21 ATOM 1170 HN LYS 73 -21.223 35.497 -3.996 1.00 37.78 ATOM 1171 CA LYS 73 -21.111 37.422 -4.861 1.00 74.15 ATOM 1172 HA LYS 73 -20.712 38.353 -4.472 1.00 3.22 ATOM 1173 CB LYS 73 -20.171 36.896 -5.948 1.00 51.24 ATOM 1174 HB1 LYS 73 -20.451 37.319 -6.906 1.00 37.78 ATOM 1175 HB2 LYS 73 -20.266 35.823 -6.010 1.00 44.42 ATOM 1176 CG LYS 73 -18.709 37.226 -5.700 1.00 34.13 ATOM 1177 HG1 LYS 73 -18.278 36.434 -5.102 1.00 37.78 ATOM 1178 HG2 LYS 73 -18.632 38.165 -5.166 1.00 4.52 ATOM 1179 CD LYS 73 -17.936 37.350 -7.002 1.00 13.01 ATOM 1180 HD1 LYS 73 -18.190 38.289 -7.472 1.00 37.78 ATOM 1181 HD2 LYS 73 -18.202 36.532 -7.660 1.00 31.24 ATOM 1182 CE LYS 73 -16.435 37.307 -6.765 1.00 25.22 ATOM 1183 HE1 LYS 73 -15.945 37.092 -7.703 1.00 37.78 ATOM 1184 HE2 LYS 73 -16.203 36.526 -6.054 1.00 33.10 ATOM 1185 NZ LYS 73 -15.918 38.601 -6.240 1.00 14.21 ATOM 1186 HZ1 LYS 73 -16.374 38.832 -5.333 1.00 14.43 ATOM 1187 HZ2 LYS 73 -16.108 39.369 -6.917 1.00 25.34 ATOM 1188 HZ3 LYS 73 -14.891 38.537 -6.090 1.00 4.25 ATOM 1189 C LYS 73 -22.483 37.716 -5.460 1.00 51.41 ATOM 1190 O LYS 73 -22.591 38.140 -6.610 1.00 3.10 ATOM 1191 N ASN 74 -23.529 37.490 -4.672 1.00 2.25 ATOM 1192 HN ASN 74 -23.407 37.146 -3.770 1.00 37.78 ATOM 1193 CA ASN 74 -24.894 37.733 -5.124 1.00 61.51 ATOM 1194 HA ASN 74 -24.892 37.915 -6.192 1.00 74.03 ATOM 1195 CB ASN 74 -25.769 36.508 -4.850 1.00 32.02 ATOM 1196 HB1 ASN 74 -25.661 36.219 -3.821 1.00 37.78 ATOM 1197 HB2 ASN 74 -25.449 35.701 -5.484 1.00 71.00 ATOM 1198 CG ASN 74 -27.235 36.770 -5.135 1.00 75.30 ATOM 1199 OD1 ASN 74 -27.586 37.345 -6.165 1.00 43.53 ATOM 1200 ND2 ASN 74 -28.101 36.347 -4.221 1.00 24.04 ATOM 1201 HD21 ASN 74 -27.767 35.892 -3.416 1.00 44.11 ATOM 1202 HD22 ASN 74 -29.053 36.508 -4.388 1.00 21.41 ATOM 1203 C ASN 74 -25.486 38.959 -4.436 1.00 24.12 ATOM 1204 O ASN 74 -26.311 39.669 -5.010 1.00 13.21 ATOM 1205 N LYS 75 -25.057 39.202 -3.202 1.00 12.21 ATOM 1206 HN LYS 75 -24.413 38.595 -2.777 1.00 37.78 ATOM 1207 CA LYS 75 -25.542 40.343 -2.434 1.00 43.33 ATOM 1208 HA LYS 75 -26.625 40.297 -2.414 1.00 61.22 ATOM 1209 CB LYS 75 -25.013 40.280 -0.999 1.00 52.45 ATOM 1210 HB1 LYS 75 -23.963 40.543 -0.988 1.00 37.78 ATOM 1211 HB2 LYS 75 -25.118 39.262 -0.644 1.00 5.11 ATOM 1212 CG LYS 75 -25.748 41.200 -0.040 1.00 33.13 ATOM 1213 HG1 LYS 75 -26.814 41.075 -0.182 1.00 37.78 ATOM 1214 HG2 LYS 75 -25.480 42.225 -0.259 1.00 10.20 ATOM 1215 CD LYS 75 -25.415 40.877 1.407 1.00 33.02 ATOM 1216 HD1 LYS 75 -25.288 39.808 1.526 1.00 37.78 ATOM 1217 HD2 LYS 75 -26.234 41.207 2.030 1.00 21.32 ATOM 1218 CE LYS 75 -24.143 41.580 1.857 1.00 73.54 ATOM 1219 HE1 LYS 75 -23.423 41.590 1.048 1.00 37.78 ATOM 1220 HE2 LYS 75 -23.729 41.033 2.691 1.00 54.14 ATOM 1221 NZ LYS 75 -24.407 42.979 2.291 1.00 44.41 ATOM 1222 HZ1 LYS 75 -25.074 42.990 3.091 1.00 71.42 ATOM 1223 HZ2 LYS 75 -24.812 43.531 1.507 1.00 15.20 ATOM 1224 HZ3 LYS 75 -23.519 43.430 2.591 1.00 43.31 ATOM 1225 C LYS 75 -25.119 41.656 -3.086 1.00 13.22 ATOM 1226 O LYS 75 -25.855 42.642 -3.052 1.00 54.54 ATOM 1227 N VAL 76 -23.930 41.661 -3.680 1.00 0.35 ATOM 1228 HN VAL 76 -23.394 40.836 -3.698 1.00 37.78 ATOM 1229 CA VAL 76 -23.411 42.852 -4.341 1.00 41.33 ATOM 1230 HA VAL 76 -23.548 43.697 -3.674 1.00 3.41 ATOM 1231 CB VAL 76 -21.907 42.716 -4.643 1.00 4.32 ATOM 1232 HB VAL 76 -21.770 41.938 -5.383 1.00 53.30 ATOM 1233 CG1 VAL 76 -21.356 44.015 -5.212 1.00 13.24 ATOM 1234 HG11 VAL 76 -21.600 44.837 -4.553 1.00 62.22 ATOM 1235 HG12 VAL 76 -21.777 44.198 -6.186 1.00 24.24 ATOM 1236 HG13 VAL 76 -20.280 43.943 -5.306 1.00 35.42 ATOM 1237 CG2 VAL 76 -21.147 42.309 -3.389 1.00 50.42 ATOM 1238 HG21 VAL 76 -21.476 41.338 -3.056 1.00 32.31 ATOM 1239 HG22 VAL 76 -21.320 43.034 -2.606 1.00 24.55 ATOM 1240 HG23 VAL 76 -20.087 42.266 -3.606 1.00 22.02 ATOM 1241 C VAL 76 -24.156 43.127 -5.643 1.00 32.34 ATOM 1242 O VAL 76 -24.224 44.266 -6.103 1.00 4.13 ATOM 1243 N ALA 77 -24.715 42.074 -6.231 1.00 51.42 ATOM 1244 HN ALA 77 -24.609 41.179 -5.836 1.00 37.78 ATOM 1245 CA ALA 77 -25.458 42.202 -7.479 1.00 11.13 ATOM 1246 HA ALA 77 -24.779 42.481 -8.242 1.00 31.23 ATOM 1247 CB ALA 77 -26.065 40.863 -7.871 1.00 13.22 ATOM 1248 HB1 ALA 77 -26.465 40.930 -8.872 1.00 65.53 ATOM 1249 HB2 ALA 77 -26.858 40.602 -7.185 1.00 61.22 ATOM 1250 HB3 ALA 77 -25.301 40.101 -7.842 1.00 20.44 ATOM 1251 C ALA 77 -26.546 43.265 -7.364 1.00 25.13 ATOM 1252 O ALA 77 -26.921 43.892 -8.354 1.00 34.51 ATOM 1253 N ALA 78 -27.048 43.462 -6.149 1.00 44.10 ATOM 1254 HN ALA 78 -26.759 42.894 -5.399 1.00 37.78 ATOM 1255 CA ALA 78 -28.091 44.450 -5.905 1.00 11.11 ATOM 1256 HA ALA 78 -28.977 44.143 -6.444 1.00 73.12 ATOM 1257 CB ALA 78 -28.435 44.500 -4.424 1.00 24.15 ATOM 1258 HB1 ALA 78 -29.249 45.193 -4.262 1.00 62.53 ATOM 1259 HB2 ALA 78 -27.570 44.820 -3.860 1.00 72.44 ATOM 1260 HB3 ALA 78 -28.733 43.516 -4.093 1.00 3.31 ATOM 1261 C ALA 78 -27.667 45.829 -6.398 1.00 54.43 ATOM 1262 O ALA 78 -28.507 46.656 -6.754 1.00 72.41 ATOM 1263 N GLN 79 -26.361 46.071 -6.416 1.00 25.11 ATOM 1264 HN GLN 79 -25.727 45.396 -6.086 1.00 37.78 ATOM 1265 CA GLN 79 -25.827 47.351 -6.865 1.00 3.45 ATOM 1266 HA GLN 79 -26.563 48.125 -6.677 1.00 31.50 ATOM 1267 CB GLN 79 -24.554 47.697 -6.089 1.00 51.15 ATOM 1268 HB1 GLN 79 -24.109 48.594 -6.507 1.00 37.78 ATOM 1269 HB2 GLN 79 -23.854 46.881 -6.199 1.00 22.54 ATOM 1270 CG GLN 79 -24.787 47.917 -4.604 1.00 35.15 ATOM 1271 HG1 GLN 79 -23.845 47.783 -4.091 1.00 37.78 ATOM 1272 HG2 GLN 79 -25.493 47.182 -4.239 1.00 43.42 ATOM 1273 CD GLN 79 -25.304 49.308 -4.293 1.00 43.13 ATOM 1274 OE1 GLN 79 -24.779 50.303 -4.793 1.00 43.43 ATOM 1275 NE2 GLN 79 -26.338 49.385 -3.464 1.00 71.22 ATOM 1276 HE21 GLN 79 -26.719 48.558 -3.092 1.00 72.22 ATOM 1277 HE22 GLN 79 -26.685 50.277 -3.252 1.00 15.32 ATOM 1278 C GLN 79 -25.533 47.325 -8.361 1.00 35.20 ATOM 1279 O GLN 79 -25.601 48.352 -9.035 1.00 23.13 ATOM 1280 N ASN 80 -25.208 46.143 -8.874 1.00 63.21 ATOM 1281 HN ASN 80 -25.158 45.357 -8.296 1.00 37.78 ATOM 1282 CA ASN 80 -24.903 45.983 -10.291 1.00 71.34 ATOM 1283 HA ASN 80 -24.898 46.954 -10.771 1.00 42.12 ATOM 1284 CB ASN 80 -23.520 45.354 -10.469 1.00 64.01 ATOM 1285 HB1 ASN 80 -22.774 46.035 -10.084 1.00 37.78 ATOM 1286 HB2 ASN 80 -23.332 45.187 -11.522 1.00 32.20 ATOM 1287 CG ASN 80 -23.389 44.029 -9.743 1.00 0.12 ATOM 1288 OD1 ASN 80 -23.742 42.978 -10.277 1.00 55.03 ATOM 1289 ND2 ASN 80 -22.879 44.074 -8.517 1.00 52.14 ATOM 1290 HD21 ASN 80 -22.618 44.944 -8.139 1.00 45.24 ATOM 1291 HD22 ASN 80 -22.770 43.228 -8.037 1.00 40.14 ATOM 1292 C ASN 80 -25.957 45.122 -10.981 1.00 35.05 ATOM 1293 O ASN 80 -25.630 44.166 -11.684 1.00 75.11 ATOM 1294 N TYR 81 -27.223 45.468 -10.774 1.00 11.31 ATOM 1295 HN TYR 81 -27.428 46.254 -10.215 1.00 37.78 ATOM 1296 CA TYR 81 -28.326 44.727 -11.373 1.00 71.35 ATOM 1297 HA TYR 81 -27.953 43.765 -11.708 1.00 54.42 ATOM 1298 CB TYR 81 -29.435 44.500 -10.344 1.00 63.33 ATOM 1299 HB1 TYR 81 -30.108 45.351 -10.334 1.00 37.78 ATOM 1300 HB2 TYR 81 -28.994 44.402 -9.365 1.00 32.53 ATOM 1301 CG TYR 81 -30.245 43.248 -10.594 1.00 33.13 ATOM 1302 CD1 TYR 81 -29.646 41.994 -10.579 1.00 0.32 ATOM 1303 HD1 TYR 81 -28.585 41.917 -10.386 1.00 34.23 ATOM 1304 CD2 TYR 81 -31.610 43.319 -10.845 1.00 62.42 ATOM 1305 HD2 TYR 81 -32.095 44.285 -10.862 1.00 22.04 ATOM 1306 CE1 TYR 81 -30.382 40.848 -10.807 1.00 33.23 ATOM 1307 HE1 TYR 81 -29.898 39.883 -10.791 1.00 2.11 ATOM 1308 CE2 TYR 81 -32.354 42.177 -11.073 1.00 12.42 ATOM 1309 HE2 TYR 81 -33.414 42.253 -11.266 1.00 32.11 ATOM 1310 CZ TYR 81 -31.736 40.945 -11.053 1.00 31.53 ATOM 1311 OH TYR 81 -32.474 39.805 -11.280 1.00 41.54 ATOM 1312 HH TYR 81 -32.592 39.322 -10.456 1.00 32.22 ATOM 1313 C TYR 81 -28.885 45.467 -12.585 1.00 31.41 ATOM 1314 O TYR 81 -28.672 46.669 -12.745 1.00 34.43 ATOM 1315 N ARG 82 -29.602 44.739 -13.435 1.00 43.15 ATOM 1316 HN ARG 82 -29.742 43.781 -13.263 1.00 37.78 ATOM 1317 CA ARG 82 -30.192 45.325 -14.633 1.00 64.32 ATOM 1318 HA ARG 82 -30.621 44.523 -15.217 1.00 51.31 ATOM 1319 CB ARG 82 -31.289 46.320 -14.253 1.00 33.15 ATOM 1320 HB1 ARG 82 -31.471 46.986 -15.090 1.00 37.78 ATOM 1321 HB2 ARG 82 -30.971 46.912 -13.410 1.00 25.22 ATOM 1322 CG ARG 82 -32.610 45.661 -13.891 1.00 74.31 ATOM 1323 HG1 ARG 82 -32.602 45.419 -12.838 1.00 37.78 ATOM 1324 HG2 ARG 82 -32.736 44.754 -14.469 1.00 23.04 ATOM 1325 CD ARG 82 -33.788 46.580 -14.175 1.00 2.42 ATOM 1326 HD1 ARG 82 -34.702 46.036 -13.988 1.00 37.78 ATOM 1327 HD2 ARG 82 -33.757 46.879 -15.215 1.00 73.44 ATOM 1328 NE ARG 82 -33.767 47.772 -13.331 1.00 40.31 ATOM 1329 HE ARG 82 -33.075 47.831 -12.631 1.00 20.42 ATOM 1330 CZ ARG 82 -34.628 48.776 -13.456 1.00 44.43 ATOM 1331 NH1 ARG 82 -35.572 48.732 -14.385 1.00 53.25 ATOM 1332 HH11 ARG 82 -35.657 47.953 -15.004 1.00 41.13 ATOM 1333 HH12 ARG 82 -36.217 49.494 -14.472 1.00 1.11 ATOM 1334 NH2 ARG 82 -34.544 49.827 -12.651 1.00 14.44 ATOM 1335 HH21 ARG 82 -33.832 49.867 -11.947 1.00 3.12 ATOM 1336 HH22 ARG 82 -35.192 50.586 -12.743 1.00 13.54 ATOM 1337 C ARG 82 -29.129 46.022 -15.478 1.00 21.34 ATOM 1338 O ARG 82 -29.408 47.014 -16.152 1.00 24.44 ATOM 1339 N LYS 83 -27.909 45.496 -15.436 1.00 11.31 ATOM 1340 HN LYS 83 -27.748 44.701 -14.884 1.00 37.78 ATOM 1341 CA LYS 83 -26.804 46.066 -16.197 1.00 4.11 ATOM 1342 HA LYS 83 -26.608 47.056 -15.808 1.00 43.13 ATOM 1343 CB LYS 83 -25.547 45.210 -16.028 1.00 64.24 ATOM 1344 HB1 LYS 83 -25.157 45.372 -15.033 1.00 37.78 ATOM 1345 HB2 LYS 83 -24.800 45.533 -16.746 1.00 31.51 ATOM 1346 CG LYS 83 -25.798 43.721 -16.196 1.00 43.21 ATOM 1347 HG1 LYS 83 -26.559 43.571 -16.955 1.00 37.78 ATOM 1348 HG2 LYS 83 -26.143 43.318 -15.256 1.00 52.25 ATOM 1349 CD LYS 83 -24.532 42.984 -16.601 1.00 51.32 ATOM 1350 HD1 LYS 83 -23.957 42.765 -15.714 1.00 37.78 ATOM 1351 HD2 LYS 83 -23.944 43.600 -17.270 1.00 13.01 ATOM 1352 CE LYS 83 -24.851 41.678 -17.313 1.00 10.42 ATOM 1353 HE1 LYS 83 -25.474 41.888 -18.172 1.00 37.78 ATOM 1354 HE2 LYS 83 -25.384 41.030 -16.633 1.00 32.22 ATOM 1355 NZ LYS 83 -23.618 40.982 -17.773 1.00 41.00 ATOM 1356 HZ1 LYS 83 -23.089 41.584 -18.439 1.00 73.14 ATOM 1357 HZ2 LYS 83 -23.870 40.096 -18.255 1.00 1.15 ATOM 1358 HZ3 LYS 83 -23.005 40.757 -16.962 1.00 31.01 ATOM 1359 C LYS 83 -27.161 46.177 -17.676 1.00 13.55 ATOM 1360 O LYS 83 -28.063 45.493 -18.159 1.00 14.23 ATOM 1361 N ARG 84 -26.448 47.042 -18.389 1.00 3.52 ATOM 1362 HN ARG 84 -25.767 47.579 -17.927 1.00 37.78 ATOM 1363 CA ARG 84 -26.690 47.243 -19.812 1.00 71.54 ATOM 1364 HA ARG 84 -27.715 47.568 -19.935 1.00 21.42 ATOM 1365 CB ARG 84 -25.761 48.326 -20.362 1.00 41.14 ATOM 1366 HB1 ARG 84 -26.065 49.278 -19.952 1.00 37.78 ATOM 1367 HB2 ARG 84 -25.861 48.366 -21.441 1.00 23.14 ATOM 1368 CG ARG 84 -24.298 48.109 -20.012 1.00 1.41 ATOM 1369 HG1 ARG 84 -24.014 47.098 -20.270 1.00 37.78 ATOM 1370 HG2 ARG 84 -24.157 48.264 -18.955 1.00 63.33 ATOM 1371 CD ARG 84 -23.396 49.074 -20.766 1.00 23.14 ATOM 1372 HD1 ARG 84 -23.705 49.127 -21.802 1.00 37.78 ATOM 1373 HD2 ARG 84 -22.387 48.688 -20.716 1.00 15.32 ATOM 1374 NE ARG 84 -23.424 50.415 -20.187 1.00 65.35 ATOM 1375 HE ARG 84 -24.139 50.625 -19.541 1.00 24.33 ATOM 1376 CZ ARG 84 -22.543 51.363 -20.488 1.00 32.01 ATOM 1377 NH1 ARG 84 -21.571 51.119 -21.356 1.00 31.21 ATOM 1378 HH11 ARG 84 -21.479 50.231 -21.801 1.00 55.11 ATOM 1379 HH12 ARG 84 -20.911 51.841 -21.574 1.00 52.13 ATOM 1380 NH2 ARG 84 -22.635 52.559 -19.920 1.00 65.20 ATOM 1381 HH21 ARG 84 -23.368 52.750 -19.264 1.00 72.44 ATOM 1382 HH22 ARG 84 -21.972 53.276 -20.145 1.00 24.44 ATOM 1383 C ARG 84 -26.488 45.943 -20.586 1.00 43.02 ATOM 1384 O ARG 84 -25.823 45.022 -20.111 1.00 71.24 ATOM 1385 N LYS 85 -27.066 45.876 -21.781 1.00 22.33 ATOM 1386 HN LYS 85 -27.586 46.643 -22.115 1.00 37.78 ATOM 1387 CA LYS 85 -26.949 44.690 -22.622 1.00 13.42 ATOM 1388 HA LYS 85 -26.228 44.009 -22.188 1.00 33.32 ATOM 1389 CB LYS 85 -28.297 43.972 -22.716 1.00 32.13 ATOM 1390 HB1 LYS 85 -28.617 43.702 -21.718 1.00 37.78 ATOM 1391 HB2 LYS 85 -28.170 43.065 -23.291 1.00 35.54 ATOM 1392 CG LYS 85 -29.384 44.801 -23.379 1.00 4.15 ATOM 1393 HG1 LYS 85 -30.061 44.130 -23.891 1.00 37.78 ATOM 1394 HG2 LYS 85 -28.956 45.479 -24.104 1.00 54.21 ATOM 1395 CD LYS 85 -30.161 45.618 -22.360 1.00 72.21 ATOM 1396 HD1 LYS 85 -30.505 46.525 -22.836 1.00 37.78 ATOM 1397 HD2 LYS 85 -29.531 45.876 -21.522 1.00 21.13 ATOM 1398 CE LYS 85 -31.367 44.853 -21.836 1.00 1.12 ATOM 1399 HE1 LYS 85 -31.606 45.228 -20.852 1.00 37.78 ATOM 1400 HE2 LYS 85 -31.131 43.799 -21.764 1.00 13.52 ATOM 1401 NZ LYS 85 -32.558 45.026 -22.713 1.00 63.12 ATOM 1402 HZ1 LYS 85 -32.823 46.032 -22.770 1.00 13.44 ATOM 1403 HZ2 LYS 85 -33.363 44.492 -22.327 1.00 62.42 ATOM 1404 HZ3 LYS 85 -32.355 44.675 -23.672 1.00 61.22 ATOM 1405 C LYS 85 -26.460 45.060 -24.018 1.00 51.45 ATOM 1406 O LYS 85 -26.281 46.238 -24.333 1.00 73.21 ATOM 1407 N LEU 86 -26.247 44.049 -24.853 1.00 23.23 ATOM 1408 HN LEU 86 -26.408 43.124 -24.553 1.00 37.78 ATOM 1409 CA LEU 86 -25.780 44.268 -26.217 1.00 64.02 ATOM 1410 HA LEU 86 -25.490 45.303 -26.331 1.00 32.52 ATOM 1411 CB LEU 86 -24.566 43.385 -26.510 1.00 24.42 ATOM 1412 HB1 LEU 86 -24.358 43.423 -27.575 1.00 37.78 ATOM 1413 HB2 LEU 86 -24.835 42.368 -26.256 1.00 44.51 ATOM 1414 CG LEU 86 -23.280 43.742 -25.763 1.00 42.35 ATOM 1415 HG LEU 86 -23.480 43.756 -24.701 1.00 23.02 ATOM 1416 CD1 LEU 86 -22.204 42.700 -26.024 1.00 64.04 ATOM 1417 HD11 LEU 86 -21.310 42.955 -25.471 1.00 0.03 ATOM 1418 HD12 LEU 86 -21.975 42.667 -27.080 1.00 53.21 ATOM 1419 HD13 LEU 86 -22.555 41.729 -25.704 1.00 34.44 ATOM 1420 CD2 LEU 86 -22.794 45.126 -26.170 1.00 54.02 ATOM 1421 HD21 LEU 86 -23.529 45.866 -25.895 1.00 12.55 ATOM 1422 HD22 LEU 86 -22.634 45.158 -27.239 1.00 45.10 ATOM 1423 HD23 LEU 86 -21.864 45.348 -25.663 1.00 12.30 ATOM 1424 C LEU 86 -26.888 43.979 -27.225 1.00 44.20 ATOM 1425 O LEU 86 -27.755 43.140 -26.984 1.00 64.14 ATOM 1426 N GLU 87 -26.850 44.679 -28.355 1.00 14.24 ATOM 1427 HN GLU 87 -26.138 45.349 -28.488 1.00 37.78 ATOM 1428 CA GLU 87 -27.851 44.496 -29.399 1.00 51.22 ATOM 1429 HA GLU 87 -28.233 43.486 -29.335 1.00 31.24 ATOM 1430 CB GLU 87 -29.007 45.480 -29.207 1.00 34.43 ATOM 1431 HB1 GLU 87 -29.747 45.315 -29.980 1.00 37.78 ATOM 1432 HB2 GLU 87 -28.627 46.489 -29.296 1.00 52.22 ATOM 1433 CG GLU 87 -29.693 45.356 -27.857 1.00 34.24 ATOM 1434 HG1 GLU 87 -30.440 46.134 -27.786 1.00 37.78 ATOM 1435 HG2 GLU 87 -28.973 45.493 -27.070 1.00 60.10 ATOM 1436 CD GLU 87 -30.385 44.019 -27.674 1.00 24.51 ATOM 1437 OE1 GLU 87 -30.843 43.738 -26.547 1.00 21.55 ATOM 1438 OE2 GLU 87 -30.467 43.253 -28.657 1.00 51.41 ATOM 1439 C GLU 87 -27.234 44.684 -30.782 1.00 74.24 ATOM 1440 O GLU 87 -26.424 45.586 -30.997 1.00 12.10 ATOM 1441 N THR 88 -27.623 43.824 -31.719 1.00 13.10 ATOM 1442 HN THR 88 -28.285 43.127 -31.498 1.00 37.78 ATOM 1443 CA THR 88 -27.109 43.893 -33.081 1.00 24.23 ATOM 1444 HA THR 88 -26.222 44.522 -33.083 1.00 72.34 ATOM 1445 CB THR 88 -26.714 42.499 -33.603 1.00 25.41 ATOM 1446 HB THR 88 -27.458 42.146 -34.309 1.00 21.01 ATOM 1447 OG1 THR 88 -26.649 41.568 -32.516 1.00 53.41 ATOM 1448 HG1 THR 88 -27.527 41.223 -32.332 1.00 50.25 ATOM 1449 CG2 THR 88 -25.370 42.548 -34.315 1.00 11.02 ATOM 1450 HG21 THR 88 -24.608 42.888 -33.628 1.00 43.35 ATOM 1451 HG22 THR 88 -25.428 43.227 -35.154 1.00 55.43 ATOM 1452 HG23 THR 88 -25.117 41.560 -34.670 1.00 41.12 ATOM 1453 C THR 88 -28.135 44.505 -34.026 1.00 75.05 ATOM 1454 O THR 88 -29.337 44.279 -33.883 1.00 14.22 ATOM 1455 N ILE 89 -27.655 45.280 -34.993 1.00 62.51 ATOM 1456 HN ILE 89 -26.680 45.393 -35.072 1.00 37.78 ATOM 1457 CA ILE 89 -28.532 45.922 -35.964 1.00 10.44 ATOM 1458 HA ILE 89 -29.248 46.526 -35.419 1.00 51.20 ATOM 1459 CB ILE 89 -27.741 46.837 -36.918 1.00 75.41 ATOM 1460 HB ILE 89 -27.055 46.227 -37.490 1.00 74.42 ATOM 1461 CG1 ILE 89 -26.939 47.869 -36.123 1.00 73.11 ATOM 1462 HG11 ILE 89 -26.407 48.513 -36.811 1.00 37.78 ATOM 1463 HG12 ILE 89 -26.222 47.367 -35.494 1.00 23.41 ATOM 1464 CG2 ILE 89 -28.684 47.527 -37.893 1.00 33.44 ATOM 1465 HG21 ILE 89 -29.503 47.985 -37.356 1.00 32.53 ATOM 1466 HG22 ILE 89 -29.074 46.807 -38.596 1.00 10.13 ATOM 1467 HG23 ILE 89 -28.148 48.291 -38.441 1.00 13.14 ATOM 1468 CD1 ILE 89 -27.795 48.749 -35.239 1.00 32.41 ATOM 1469 HD11 ILE 89 -28.240 48.159 -34.453 1.00 31.12 ATOM 1470 HD12 ILE 89 -28.572 49.221 -35.820 1.00 54.31 ATOM 1471 HD13 ILE 89 -27.174 49.513 -34.796 1.00 35.24 ATOM 1472 C ILE 89 -29.296 44.888 -36.784 1.00 44.50 ATOM 1473 O ILE 89 -28.775 43.816 -37.092 1.00 45.51 ATOM 1474 N VAL 90 -30.534 45.218 -37.137 1.00 11.31 ATOM 1475 HN VAL 90 -30.900 46.092 -36.871 1.00 37.78 ATOM 1476 CA VAL 90 -31.369 44.320 -37.925 1.00 35.23 ATOM 1477 HA VAL 90 -30.794 43.434 -38.181 1.00 4.23 ATOM 1478 CB VAL 90 -32.608 43.864 -37.130 1.00 62.03 ATOM 1479 HB VAL 90 -32.273 43.398 -36.215 1.00 52.34 ATOM 1480 CG1 VAL 90 -33.478 45.057 -36.766 1.00 5.44 ATOM 1481 HG11 VAL 90 -32.897 45.782 -36.215 1.00 61.43 ATOM 1482 HG12 VAL 90 -34.298 44.722 -36.146 1.00 54.53 ATOM 1483 HG13 VAL 90 -33.877 45.518 -37.658 1.00 1.45 ATOM 1484 CG2 VAL 90 -33.402 42.838 -37.925 1.00 1.22 ATOM 1485 HG21 VAL 90 -34.168 42.417 -37.290 1.00 32.42 ATOM 1486 HG22 VAL 90 -32.747 42.046 -38.261 1.00 25.12 ATOM 1487 HG23 VAL 90 -33.870 43.304 -38.780 1.00 11.50 ATOM 1488 C VAL 90 -31.826 44.986 -39.218 1.00 3.12 ATOM 1489 O VAL 90 -32.046 46.196 -39.259 1.00 44.23 ATOM 1490 N GLN 91 -31.966 44.188 -40.271 1.00 30.51 ATOM 1491 HN GLN 91 -31.780 43.223 -40.173 1.00 37.78 ATOM 1492 HA GLN 91 -31.783 45.559 -41.813 1.00 73.04 ATOM 1493 CB GLN 91 -32.205 43.637 -42.649 1.00 1.21 ATOM 1494 HB1 GLN 91 -31.185 43.282 -42.610 1.00 37.78 ATOM 1495 HB2 GLN 91 -32.382 44.090 -43.615 1.00 63.21 ATOM 1496 CG GLN 91 -33.133 42.443 -42.499 1.00 75.15 ATOM 1497 HG1 GLN 91 -34.157 42.781 -42.488 1.00 37.78 ATOM 1498 HG2 GLN 91 -32.912 41.950 -41.565 1.00 21.21 ATOM 1499 CD GLN 91 -32.971 41.434 -43.619 1.00 72.21 ATOM 1500 OE1 GLN 91 -31.944 40.762 -43.721 1.00 13.10 ATOM 1501 NE2 GLN 91 -33.987 41.322 -44.467 1.00 61.31 ATOM 1502 HE21 GLN 91 -34.785 41.883 -44.340 1.00 10.32 ATOM 1503 HE22 GLN 91 -33.900 40.674 -45.197 1.00 24.14 ATOM 1504 CA GLN 91 -32.396 44.701 -41.566 1.00 72.32 ATOM 1505 C GLN 91 -33.856 45.140 -41.520 1.00 71.43 ATOM 1506 OT1 GLN 91 -34.668 44.477 -40.835 1.00 37.78 ATOM 1507 OT2 GLN 91 -34.182 46.153 -42.174 1.00 37.78 ATOM 1508 OH2 TIP3 1 -27.855 11.281 -1.677 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.904 10.326 -1.714 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -28.681 11.549 -1.275 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -28.144 13.811 -6.694 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.166 13.996 -5.755 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -27.454 14.380 -7.035 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -28.581 13.378 -3.772 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -29.068 12.643 -4.143 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -28.032 12.985 -3.094 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.555 33.853 -42.539 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -31.737 34.769 -42.750 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.379 33.443 -43.386 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -32.019 27.368 -9.213 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -32.460 26.648 -8.763 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -32.032 28.089 -8.583 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -34.908 32.473 -9.001 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -34.288 31.796 -9.274 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -35.116 32.255 -8.093 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.673 18.463 -6.248 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.624 19.073 -5.512 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -28.247 18.924 -6.971 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.281 19.941 -4.012 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -28.970 20.599 -4.107 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.266 19.744 -3.075 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -34.861 27.775 -11.891 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -35.157 27.453 -12.742 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -35.185 28.675 -11.849 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -31.507 29.208 -6.865 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -32.449 29.266 -6.704 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -31.231 30.114 -7.002 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -33.255 30.989 -10.240 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -32.830 30.282 -10.725 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -32.938 31.790 -10.657 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -32.096 28.890 -11.731 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -32.353 28.200 -12.343 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -32.025 28.447 -10.886 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -32.634 22.802 -3.462 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -32.554 23.565 -2.890 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -33.235 23.081 -4.153 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -34.210 29.530 -6.280 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -34.451 30.192 -5.632 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -34.408 28.696 -5.855 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -28.772 29.906 -16.655 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -28.699 30.845 -16.485 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -27.867 29.601 -16.712 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -36.876 29.711 -2.801 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -36.789 30.537 -2.326 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -37.740 29.381 -2.552 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -36.462 33.483 -12.995 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -36.537 33.362 -13.941 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -36.429 34.433 -12.876 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -33.691 32.563 -13.243 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -34.626 32.663 -13.064 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -33.411 31.854 -12.665 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -30.703 21.630 -1.197 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -31.110 22.111 -1.917 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -30.662 20.725 -1.504 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -30.625 25.620 -5.339 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -29.983 26.077 -5.882 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -31.455 25.733 -5.801 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -36.255 26.671 -2.888 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -36.601 26.290 -2.082 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -36.455 27.605 -2.817 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -34.005 29.133 -2.938 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -34.906 29.316 -3.206 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -33.971 29.392 -2.017 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -29.978 30.164 -14.106 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -30.351 29.338 -13.796 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -29.701 29.981 -15.003 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.818 24.972 -7.084 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -33.746 24.740 -7.111 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -32.367 24.195 -7.414 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -34.789 27.211 -5.359 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -35.215 26.984 -4.533 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -34.208 26.473 -5.542 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -28.082 32.620 -16.084 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -27.339 33.206 -16.224 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -28.777 33.188 -15.751 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -31.720 26.813 -14.059 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -31.997 26.085 -13.503 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -30.793 26.932 -13.853 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -30.549 19.010 -2.641 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -31.465 19.273 -2.729 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -30.213 19.007 -3.538 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -30.860 32.017 -6.923 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -31.016 32.695 -7.580 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -29.928 32.089 -6.720 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -33.972 29.987 -0.346 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -34.323 29.131 -0.103 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -33.246 30.130 0.261 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -38.584 26.468 -0.308 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -38.912 26.739 -1.166 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -38.432 25.527 -0.396 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -32.849 26.384 -2.925 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -32.104 26.972 -3.045 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -33.606 26.966 -2.862 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -35.440 25.178 0.331 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -34.487 25.262 0.303 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -35.600 24.467 0.950 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -33.710 21.686 0.896 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -33.518 20.755 0.785 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -32.853 22.111 0.886 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -32.394 24.475 -1.026 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -32.675 25.184 -1.604 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -31.451 24.402 -1.177 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -28.829 26.281 -13.620 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -27.979 26.702 -13.492 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -28.824 25.541 -13.012 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -28.435 24.334 -11.796 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -29.161 23.855 -11.398 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -27.854 24.540 -11.064 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -28.167 24.235 -15.405 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -28.688 24.592 -16.124 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -28.200 24.910 -14.727 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -30.326 21.019 -7.335 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -29.393 21.231 -7.369 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -30.561 21.121 -6.412 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -30.297 21.756 -4.559 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -31.140 22.024 -4.193 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.854 22.578 -4.770 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -28.014 15.736 0.795 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -27.664 15.082 0.189 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -27.867 16.573 0.355 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -28.494 17.845 -0.856 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -29.411 18.116 -0.892 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -28.371 17.310 -1.640 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -31.406 32.757 -11.122 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -30.753 32.410 -11.730 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -30.895 33.246 -10.476 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -36.756 32.060 -1.361 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -36.571 31.726 -0.483 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -35.909 32.369 -1.683 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -34.411 33.345 -2.117 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -33.734 32.713 -2.357 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -34.089 33.747 -1.309 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -29.493 15.935 -3.037 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -30.306 16.260 -3.425 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -29.260 15.175 -3.570 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -36.487 33.405 -6.067 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -36.944 33.934 -6.721 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -36.324 34.008 -5.342 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -34.160 32.283 -5.122 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -35.064 32.448 -5.388 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -33.731 33.136 -5.188 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -34.658 25.174 7.922 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -34.569 26.118 7.790 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -35.297 24.899 7.264 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -32.019 27.368 9.643 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -32.460 26.648 10.093 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -32.032 28.089 10.273 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -34.908 32.473 9.855 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -34.288 31.796 9.582 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -35.116 32.255 10.763 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -34.861 27.775 6.965 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -35.157 27.453 6.114 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -35.185 28.675 7.007 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -31.507 29.208 11.991 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -32.449 29.266 12.152 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -31.231 30.114 11.854 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -30.410 27.456 15.602 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -30.270 26.865 14.863 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -30.242 28.329 15.246 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -35.937 24.418 5.374 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -36.649 24.953 5.023 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -35.246 24.474 4.714 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -35.883 22.876 2.413 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -35.182 22.898 3.064 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -35.581 22.248 1.757 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -28.568 23.796 13.668 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -29.220 24.491 13.757 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -28.103 24.006 12.858 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -32.531 24.628 6.326 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -33.263 24.856 6.899 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.084 23.914 6.781 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -34.210 29.530 12.576 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -34.451 30.192 13.224 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -34.408 28.696 13.001 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -33.660 23.790 4.011 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -33.081 23.940 4.758 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -33.246 24.261 3.288 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.934 30.527 7.446 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.460 30.822 8.224 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -36.497 31.265 7.213 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -27.855 30.137 17.179 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -27.904 29.182 17.142 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -28.681 30.405 17.581 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -36.462 33.483 5.861 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -36.537 33.362 4.915 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -36.429 34.433 5.980 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -32.183 24.823 1.641 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -32.141 24.600 0.711 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -31.334 25.221 1.831 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -37.775 26.487 4.731 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -38.519 25.980 4.408 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -37.909 26.536 5.677 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -30.625 25.620 13.517 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -29.983 26.077 12.974 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -31.455 25.733 13.055 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -33.159 21.168 4.591 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -32.267 21.031 4.910 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -33.102 21.959 4.054 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -34.005 29.133 15.918 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -34.906 29.316 15.650 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -33.971 29.392 16.839 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -28.274 21.378 4.285 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -28.828 20.982 3.613 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -28.173 22.288 4.008 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -28.310 27.178 17.122 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -29.162 27.416 16.755 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -27.720 27.161 16.369 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -32.818 24.972 11.772 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -33.746 24.740 11.745 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -32.367 24.195 11.442 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -38.848 26.963 7.481 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -39.089 27.888 7.523 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -39.588 26.504 7.877 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -34.789 27.211 13.497 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -35.215 26.984 14.323 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -34.208 26.473 13.314 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -32.130 31.763 15.966 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -32.732 31.208 15.471 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -31.849 32.430 15.340 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -38.495 29.252 1.018 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -38.256 28.504 0.470 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -38.764 28.864 1.850 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -39.558 28.822 3.474 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -39.411 28.302 4.264 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -39.561 29.729 3.780 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -36.820 30.520 4.223 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -37.637 31.017 4.276 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -36.291 30.995 3.583 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -39.482 31.563 4.205 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -39.321 32.363 3.704 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -39.679 31.870 5.090 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -31.947 22.761 10.311 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -32.744 22.346 9.982 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -31.502 22.070 10.802 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -30.860 32.017 11.933 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -31.016 32.695 11.276 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.928 32.089 12.136 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -36.457 31.115 1.156 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -37.101 30.484 1.478 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -35.695 30.584 0.924 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -35.546 27.889 0.983 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -35.814 28.069 1.884 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -35.752 26.963 0.852 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -32.849 26.384 15.931 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -32.104 26.972 15.811 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -33.606 26.966 15.994 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -38.780 33.748 2.817 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -37.847 33.906 2.961 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -39.044 34.423 2.192 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -28.144 32.667 12.162 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -28.166 32.852 13.101 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -27.454 33.236 11.821 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -28.581 32.234 15.084 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -29.068 31.499 14.713 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -28.032 31.841 15.762 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -30.130 28.024 19.722 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -30.996 27.919 20.116 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -29.754 28.783 20.169 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -30.648 22.855 7.623 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -30.798 21.910 7.603 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -31.002 23.136 8.467 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -29.792 24.825 17.262 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -29.209 24.091 17.453 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -29.228 25.597 17.308 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -30.570 18.883 1.119 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -29.960 18.511 1.756 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -31.407 18.461 1.315 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -30.938 20.438 6.085 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -30.658 19.531 6.210 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -30.179 20.872 5.696 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -30.326 21.019 11.521 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -29.393 21.231 11.487 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -30.561 21.121 12.444 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -30.297 21.756 14.297 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -31.140 22.024 14.663 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -29.854 22.578 14.086 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -28.458 17.768 2.662 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -28.045 17.047 2.186 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -27.776 18.438 2.720 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -34.160 32.283 13.734 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -35.064 32.448 13.468 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -33.731 33.136 13.668 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -31.555 33.853 14.029 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -31.737 34.769 13.818 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -31.379 33.443 13.182 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -29.194 16.630 8.588 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -28.582 16.116 8.061 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -28.811 17.508 8.611 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -36.135 32.974 3.062 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.269 33.340 2.884 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -36.382 32.534 2.249 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -30.208 31.288 17.892 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -30.990 31.102 17.372 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -30.280 32.217 18.109 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -34.658 44.030 -48.646 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -34.569 44.974 -48.778 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -35.297 43.755 -49.304 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -32.019 46.224 -46.925 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.460 45.504 -46.475 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -32.032 46.945 -46.295 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -34.908 51.329 -46.713 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -34.288 50.652 -46.986 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -35.116 51.111 -45.805 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -37.336 45.718 -44.821 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -37.032 45.032 -45.415 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -36.614 45.836 -44.203 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -28.673 37.319 -43.960 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -28.624 37.929 -43.224 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -28.247 37.780 -44.683 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -33.318 38.344 -48.820 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -32.672 38.015 -48.195 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -32.808 38.862 -49.443 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -39.264 42.160 -47.243 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -38.648 41.634 -46.734 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -39.850 41.520 -47.647 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -28.281 38.797 -41.724 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -28.970 39.455 -41.819 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -28.266 38.600 -40.787 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -34.861 46.631 -49.603 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -35.157 46.309 -50.454 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -35.185 47.531 -49.561 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -39.661 44.807 -42.859 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -40.401 45.405 -42.756 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -38.947 45.361 -43.175 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -31.554 37.635 -46.839 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -31.769 36.869 -46.307 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -30.898 38.107 -46.326 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -41.253 46.771 -42.072 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -41.259 47.650 -42.450 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -42.107 46.688 -41.647 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -31.507 48.064 -44.577 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -32.449 48.122 -44.416 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -31.231 48.970 -44.714 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -31.207 36.350 -43.160 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -31.943 36.961 -43.198 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -30.523 36.765 -43.686 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -33.255 49.845 -47.952 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -32.830 49.138 -48.437 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -32.938 50.646 -48.369 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -32.096 47.746 -49.443 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -32.353 47.056 -50.055 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -32.025 47.303 -48.598 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -35.937 43.274 -51.194 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -36.649 43.809 -51.545 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -35.246 43.330 -51.854 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -32.531 43.484 -50.242 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -33.263 43.712 -49.669 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -32.084 42.770 -49.787 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -39.519 47.542 -45.678 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -39.614 46.964 -46.435 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -38.790 47.171 -45.182 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -40.519 42.883 -44.726 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -39.954 43.004 -45.489 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -40.200 43.520 -44.087 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -39.639 47.282 -40.009 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -39.951 48.064 -39.553 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -40.289 47.129 -40.695 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -35.934 49.383 -49.122 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -35.460 49.678 -48.344 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -36.497 50.121 -49.355 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -36.272 35.062 -41.542 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.852 34.647 -40.789 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -37.205 34.884 -41.425 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -40.844 40.306 -43.821 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -41.486 40.265 -43.112 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -40.807 41.232 -44.059 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -35.311 40.943 -50.092 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -35.720 41.758 -50.384 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -34.591 40.803 -50.707 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -38.265 37.954 -47.823 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -39.176 38.011 -47.534 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -37.760 37.894 -47.012 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -33.860 37.189 -44.559 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -34.537 37.320 -43.895 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -34.346 37.034 -45.369 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -30.573 52.861 -38.282 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -30.373 53.285 -39.117 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -29.917 53.204 -37.675 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -38.319 39.130 -43.522 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -39.154 39.584 -43.412 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -37.795 39.406 -42.770 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -33.159 40.024 -51.977 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -32.267 39.887 -51.658 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -33.102 40.815 -52.514 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -38.625 42.616 -38.540 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -38.921 42.450 -39.435 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -37.694 42.396 -38.550 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -38.333 49.968 -42.772 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -37.970 50.823 -43.005 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -37.801 49.676 -42.031 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -32.130 50.619 -40.602 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -32.732 50.064 -41.097 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -31.849 51.286 -41.228 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -35.273 37.593 -42.305 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.575 37.667 -41.655 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -35.654 36.729 -42.150 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -34.489 37.245 -51.208 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -34.269 37.717 -52.011 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -33.931 37.640 -50.537 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -37.289 38.973 -50.373 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -36.477 39.477 -50.327 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -37.534 38.828 -49.459 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -36.753 39.959 -41.188 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -36.634 40.533 -40.431 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -36.098 39.271 -41.073 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -36.405 36.054 -49.435 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -36.752 36.672 -48.790 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -35.747 36.555 -49.916 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -30.549 37.866 -40.353 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -31.465 38.129 -40.441 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -30.213 37.863 -41.250 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -30.860 50.873 -44.635 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -31.016 51.551 -45.292 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -29.928 50.945 -44.432 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -38.584 45.324 -38.020 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -38.912 45.595 -38.878 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -38.432 44.383 -38.108 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -40.460 41.563 -40.659 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -41.078 42.238 -40.378 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -40.116 41.884 -41.492 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -40.120 38.918 -39.576 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -39.970 38.189 -40.179 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -40.118 39.695 -40.135 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -39.708 37.288 -42.084 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -39.172 37.739 -42.736 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -40.560 37.180 -42.506 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -38.126 42.727 -41.844 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -37.375 42.571 -42.417 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -38.465 43.579 -42.120 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -37.638 39.066 -38.089 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -37.874 38.846 -37.187 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -38.421 38.859 -38.598 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -34.922 38.193 -39.013 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -35.870 38.225 -38.881 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -34.610 37.568 -38.359 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -33.288 36.827 -37.008 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -33.385 35.875 -37.014 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -33.610 37.096 -36.147 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -28.144 51.523 -44.406 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -28.166 51.708 -43.467 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -27.454 52.092 -44.747 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -28.581 51.090 -41.484 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -29.068 50.355 -41.855 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -28.032 50.697 -40.806 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -28.435 43.190 -49.508 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.161 42.711 -49.110 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -27.854 43.396 -48.776 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -28.676 45.975 -44.560 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -27.842 45.597 -44.841 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -28.564 46.918 -44.679 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -30.189 48.853 -42.253 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -30.837 49.178 -41.628 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -30.707 48.413 -42.928 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -30.648 41.711 -48.945 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -30.798 40.766 -48.965 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -31.002 41.992 -48.101 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -30.938 39.294 -50.483 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -30.658 38.387 -50.358 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -30.179 39.728 -50.872 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -28.494 36.701 -38.568 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -29.411 36.972 -38.604 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -28.371 36.166 -39.352 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -41.067 49.517 -42.032 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -41.492 50.326 -42.315 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -40.162 49.602 -42.334 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -36.756 50.916 -39.073 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -36.571 50.582 -38.195 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -35.909 51.225 -39.395 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -34.411 52.201 -39.829 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -33.734 51.569 -40.069 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -34.089 52.603 -39.021 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -29.493 34.791 -40.749 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.306 35.116 -41.137 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -29.260 34.031 -41.282 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -36.487 52.261 -43.779 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -36.944 52.790 -44.433 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -36.324 52.864 -43.054 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -34.160 51.139 -42.834 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -35.064 51.304 -43.100 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -33.731 51.992 -42.900 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -31.555 52.709 -42.539 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -31.737 53.625 -42.750 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -31.379 52.299 -43.386 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -39.572 50.576 -45.571 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -39.359 49.688 -45.858 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -39.507 50.542 -44.616 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.063 36.240 -46.426 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -36.738 35.611 -46.171 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -35.499 35.756 -47.029 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -30.921 34.347 -46.314 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -30.317 34.895 -46.815 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -31.790 34.667 -46.554 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -29.194 35.486 -47.980 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -28.582 34.972 -48.507 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -28.811 36.364 -47.957 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -33.600 34.831 -47.142 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -33.524 34.926 -48.091 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -33.876 33.923 -47.013 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -34.658 44.030 -29.790 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -34.569 44.974 -29.922 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -35.297 43.755 -30.448 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -35.725 43.285 -26.371 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -35.763 42.639 -25.666 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -36.048 42.819 -27.142 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -34.908 51.329 -27.857 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -34.288 50.652 -28.130 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -35.116 51.111 -26.949 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -37.336 45.718 -25.965 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -37.032 45.032 -26.559 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -36.614 45.836 -25.347 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -28.673 37.319 -25.104 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -28.624 37.929 -24.368 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -28.247 37.780 -25.827 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -34.195 40.112 -25.637 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -34.052 39.165 -25.617 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -34.301 40.319 -26.566 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -33.318 38.344 -29.964 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -32.672 38.015 -29.339 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -32.808 38.862 -30.587 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -28.281 38.797 -22.868 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -28.970 39.455 -22.963 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -28.266 38.600 -21.931 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -34.861 46.631 -30.747 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -35.157 46.309 -31.598 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -35.185 47.531 -30.705 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -39.661 44.807 -24.003 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -40.401 45.405 -23.900 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -38.947 45.361 -24.319 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -31.554 37.635 -27.983 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -31.769 36.869 -27.451 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -30.898 38.107 -27.470 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -31.207 36.350 -24.304 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -31.943 36.961 -24.342 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -30.523 36.765 -24.830 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -33.255 49.845 -29.096 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -32.830 49.138 -29.581 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -32.938 50.646 -29.513 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -32.096 47.746 -30.587 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -32.353 47.056 -31.199 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -32.025 47.303 -29.742 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -35.937 43.274 -32.338 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -36.649 43.809 -32.689 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -35.246 43.330 -32.998 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -34.210 48.386 -25.136 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -34.451 49.048 -24.488 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -34.408 47.552 -24.711 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -39.639 47.282 -21.153 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -39.951 48.064 -20.697 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -40.289 47.129 -21.839 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -35.934 49.383 -30.266 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -35.460 49.678 -29.488 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -36.497 50.121 -30.499 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -36.876 48.567 -21.657 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -36.789 49.393 -21.182 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -37.740 48.237 -21.408 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -33.360 51.493 -34.848 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -32.985 50.749 -35.319 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -33.356 51.223 -33.930 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -33.691 51.419 -32.099 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -34.626 51.519 -31.920 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -33.411 50.710 -31.521 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -30.703 40.486 -20.053 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -31.110 40.967 -20.773 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -30.662 39.581 -20.360 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -32.946 38.818 -21.832 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -33.460 38.692 -21.035 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -33.101 39.730 -22.077 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -36.610 37.555 -35.401 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -36.864 37.574 -34.478 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -36.867 36.683 -35.702 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -35.311 40.943 -31.236 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -35.720 41.758 -31.528 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -34.591 40.803 -31.851 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -36.209 41.118 -19.748 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -36.772 40.414 -19.428 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -35.383 40.998 -19.281 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -34.307 40.389 -28.422 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -34.502 40.994 -29.137 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -34.125 39.555 -28.857 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -35.043 42.027 -23.751 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -34.719 41.396 -24.394 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -35.483 41.492 -23.090 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -33.860 37.189 -25.703 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -34.537 37.320 -25.039 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -34.346 37.034 -26.513 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -30.573 52.861 -19.426 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -30.373 53.285 -20.261 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -29.917 53.204 -18.819 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -36.945 40.742 -27.080 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -36.381 40.195 -27.627 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -37.093 40.220 -26.291 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -37.775 45.343 -32.981 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -38.519 44.836 -33.304 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -37.909 45.392 -32.035 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -33.877 38.157 -34.782 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -34.815 38.269 -34.933 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -33.580 39.014 -34.476 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -33.159 40.024 -33.121 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -32.267 39.887 -32.802 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -33.102 40.815 -33.658 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -38.625 42.616 -19.684 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -38.921 42.450 -20.579 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -37.694 42.396 -19.694 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -38.333 49.968 -23.916 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -37.970 50.823 -24.149 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -37.801 49.676 -23.175 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -32.130 50.619 -21.746 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -32.732 50.064 -22.241 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -31.849 51.286 -22.372 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -38.495 48.108 -36.694 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -38.256 47.360 -37.242 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -38.764 47.720 -35.862 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -39.558 47.678 -34.238 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -39.411 47.158 -33.448 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -39.561 48.585 -33.932 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -35.273 37.593 -23.449 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -34.575 37.667 -22.799 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -35.654 36.729 -23.294 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -34.489 37.245 -32.352 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -34.269 37.717 -33.155 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -33.931 37.640 -31.681 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -36.820 49.376 -33.489 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -37.637 49.873 -33.436 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -36.291 49.851 -34.129 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -36.753 39.959 -22.332 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -36.634 40.533 -21.575 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -36.098 39.271 -22.217 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -30.549 37.866 -21.497 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -31.465 38.129 -21.585 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -30.213 37.863 -22.394 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -30.860 50.873 -25.779 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -31.016 51.551 -26.436 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -29.928 50.945 -25.576 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -40.549 50.463 -17.931 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -39.781 50.004 -17.590 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -40.570 50.237 -18.861 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -36.457 49.971 -36.556 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -37.101 49.340 -36.234 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -35.695 49.440 -36.788 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -33.972 48.843 -19.202 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -34.323 47.987 -18.959 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -33.246 48.986 -18.595 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -31.853 49.788 -36.322 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -31.570 48.994 -35.869 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -31.113 50.021 -36.883 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -40.898 45.698 -36.465 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -40.834 44.904 -35.934 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -40.245 45.579 -37.154 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -38.584 45.324 -19.164 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -38.912 45.595 -20.022 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -38.432 44.383 -19.252 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -39.749 43.670 -34.159 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -40.208 43.186 -33.473 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -39.494 43.002 -34.795 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -38.678 41.913 -35.896 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -38.858 41.759 -36.824 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -37.727 42.021 -35.852 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -35.440 44.034 -18.525 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -34.487 44.118 -18.553 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -35.600 43.323 -17.906 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -38.126 42.727 -22.988 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -37.375 42.571 -23.561 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -38.465 43.579 -23.264 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -33.710 40.542 -17.960 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -33.518 39.611 -18.071 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -32.853 40.967 -17.970 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -34.922 38.193 -20.157 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -35.870 38.225 -20.025 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -34.610 37.568 -19.503 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -33.288 36.827 -18.152 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -33.385 35.875 -18.158 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -33.610 37.096 -17.291 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -28.144 51.523 -25.550 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -28.166 51.708 -24.611 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -27.454 52.092 -25.891 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -28.581 51.090 -22.628 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -29.068 50.355 -22.999 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -28.032 50.697 -21.950 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -30.570 37.739 -36.593 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -29.960 37.367 -35.956 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -31.407 37.317 -36.397 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -30.938 39.294 -31.627 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -30.658 38.387 -31.502 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -30.179 39.728 -32.016 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -28.014 34.592 -18.061 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -27.664 33.938 -18.667 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -27.867 35.429 -18.501 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -30.324 36.557 -31.578 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -30.142 36.108 -30.753 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -30.924 35.972 -32.042 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -28.494 36.701 -19.712 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -29.411 36.972 -19.748 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -28.371 36.166 -20.496 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -28.458 36.624 -35.050 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -28.045 35.903 -35.526 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -27.776 37.294 -34.992 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -31.406 51.613 -29.978 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -30.753 51.266 -30.586 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -30.895 52.102 -29.332 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -36.756 50.916 -20.217 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -36.571 50.582 -19.339 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -35.909 51.225 -20.539 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -34.411 52.201 -20.973 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -33.734 51.569 -21.213 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -34.089 52.603 -20.165 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -34.160 51.139 -23.978 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -35.064 51.304 -24.244 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -33.731 51.992 -24.044 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -31.555 52.709 -23.683 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -31.737 53.625 -23.894 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -31.379 52.299 -24.530 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -29.194 35.486 -29.124 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -28.582 34.972 -29.651 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -28.811 36.364 -29.101 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -36.135 51.830 -34.650 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -35.269 52.196 -34.828 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -36.382 51.390 -35.463 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.426 51.393 -31.970 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -29.620 50.645 -32.535 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -29.465 52.151 -32.554 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -30.208 50.144 -19.820 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -30.990 49.958 -20.340 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -30.280 51.073 -19.603 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -35.725 43.285 -7.515 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -35.763 42.639 -6.810 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -36.048 42.819 -8.286 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -37.336 45.718 -7.109 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -37.032 45.032 -7.703 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -36.614 45.836 -6.491 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -34.195 40.112 -6.781 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -34.052 39.165 -6.761 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -34.301 40.319 -7.710 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -39.264 42.160 -9.531 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -38.648 41.634 -9.022 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -39.850 41.520 -9.935 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -35.937 43.274 -13.482 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -36.649 43.809 -13.833 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -35.246 43.330 -14.142 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -35.883 41.732 -16.443 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -35.182 41.754 -15.792 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -35.581 41.104 -17.099 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -32.634 41.658 -3.462 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -32.554 42.421 -2.890 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -33.235 41.937 -4.153 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -40.886 44.114 -10.647 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -41.216 43.744 -11.466 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -40.298 43.444 -10.301 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -39.519 47.542 -7.966 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -39.614 46.964 -8.723 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -38.790 47.171 -7.470 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -34.210 48.386 -6.280 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -34.451 49.048 -5.632 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -34.408 47.552 -5.855 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.962 34.396 -15.032 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -30.861 34.535 -14.737 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -29.710 35.227 -15.434 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -30.703 40.486 -1.197 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -31.110 40.967 -1.917 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.662 39.581 -1.504 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -36.272 35.062 -3.830 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -35.852 34.647 -3.077 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -37.205 34.884 -3.713 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -32.946 38.818 -2.976 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -33.460 38.692 -2.179 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -33.101 39.730 -3.221 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -36.610 37.555 -16.545 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -36.864 37.574 -15.622 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -36.867 36.683 -16.846 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -35.043 42.027 -4.895 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.719 41.396 -5.538 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -35.483 41.492 -4.234 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -38.265 37.954 -10.111 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -39.176 38.011 -9.822 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -37.760 37.894 -9.300 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -39.784 39.583 -13.628 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -38.852 39.712 -13.450 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -39.999 40.253 -14.277 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -33.860 37.189 -6.847 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -34.537 37.320 -6.183 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -34.346 37.034 -7.657 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -30.573 52.861 -0.570 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.373 53.285 -1.405 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -29.917 53.204 0.037 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -36.945 40.742 -8.224 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -36.381 40.195 -8.771 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -37.093 40.220 -7.435 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -37.775 45.343 -14.125 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -38.519 44.836 -14.448 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -37.909 45.392 -13.179 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -33.877 38.157 -15.926 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -34.815 38.269 -16.077 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -33.580 39.014 -15.620 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -34.005 47.989 -2.938 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -34.906 48.172 -3.206 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -33.971 48.248 -2.017 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -28.274 40.234 -14.571 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -28.828 39.838 -15.243 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -28.173 41.144 -14.848 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -40.275 48.156 -10.951 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -39.748 48.929 -11.152 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -41.155 48.381 -11.253 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -38.848 45.819 -11.375 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -39.089 46.744 -11.333 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -39.588 45.360 -10.979 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -40.164 50.841 -11.830 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -41.114 50.946 -11.778 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -39.813 51.661 -11.485 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -34.789 46.067 -5.359 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -35.215 45.840 -4.533 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -34.208 45.329 -5.542 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -32.130 50.619 -2.890 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -32.732 50.064 -3.385 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -31.849 51.286 -3.516 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -28.082 51.476 -16.084 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -27.339 52.062 -16.224 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -28.777 52.044 -15.751 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -38.495 48.108 -17.838 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -38.256 47.360 -18.386 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -38.764 47.720 -17.006 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -39.558 47.678 -15.382 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -39.411 47.158 -14.592 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -39.561 48.585 -15.076 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -35.273 37.593 -4.593 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -34.575 37.667 -3.943 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -35.654 36.729 -4.438 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -37.289 38.973 -12.661 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -36.477 39.477 -12.615 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -37.534 38.828 -11.747 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -36.405 36.054 -11.723 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -36.752 36.672 -11.078 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -35.747 36.555 -12.204 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -39.482 50.419 -14.651 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -39.321 51.219 -15.152 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -39.679 50.726 -13.766 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -42.489 47.545 -15.975 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -41.897 48.244 -15.699 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -42.030 47.112 -16.694 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -30.860 50.873 -6.923 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -31.016 51.551 -7.580 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -29.928 50.945 -6.720 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -40.898 45.698 -17.609 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -40.834 44.904 -17.078 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -40.245 45.579 -18.298 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -35.546 46.745 -17.873 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -35.814 46.925 -16.972 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -35.752 45.819 -18.004 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -32.849 45.240 -2.925 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -32.104 45.828 -3.045 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -33.606 45.822 -2.862 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -39.749 43.670 -15.303 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -40.208 43.186 -14.617 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -39.494 43.002 -15.939 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -38.678 41.913 -17.040 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -38.858 41.759 -17.968 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -37.727 42.021 -16.996 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -32.394 43.331 -1.026 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -32.675 44.040 -1.604 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -31.451 43.258 -1.177 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -34.922 38.193 -1.301 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -35.870 38.225 -1.169 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -34.610 37.568 -0.647 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -33.288 36.827 0.704 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -33.385 35.875 0.698 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -33.610 37.096 1.565 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -38.780 52.604 -16.039 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -37.847 52.762 -15.895 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -39.044 53.279 -16.664 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -28.144 51.523 -6.694 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -28.166 51.708 -5.755 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -27.454 52.092 -7.035 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -30.130 46.880 0.866 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -30.996 46.775 1.260 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -29.754 47.639 1.313 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -29.818 40.331 -16.854 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -29.721 40.998 -17.534 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -29.958 39.515 -17.336 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -30.570 37.739 -17.737 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -29.960 37.367 -17.100 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -31.407 37.317 -17.541 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -30.297 40.612 -4.559 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.140 40.880 -4.193 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -29.854 41.434 -4.770 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -30.324 36.557 -12.722 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -30.142 36.108 -11.897 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -30.924 35.972 -13.186 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -28.458 36.624 -16.194 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -28.045 35.903 -16.670 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -27.776 37.294 -16.136 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -36.487 52.261 -6.067 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -36.944 52.790 -6.721 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -36.324 52.864 -5.342 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -34.160 51.139 -5.122 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -35.064 51.304 -5.388 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -33.731 51.992 -5.188 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -31.555 52.709 -4.827 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -31.737 53.625 -5.038 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -31.379 52.299 -5.674 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -39.572 50.576 -7.859 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -39.359 49.688 -8.146 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -39.507 50.542 -6.904 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -36.063 36.240 -8.714 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -36.738 35.611 -8.459 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -35.499 35.756 -9.317 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -30.921 34.347 -8.602 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -30.317 34.895 -9.103 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -31.790 34.667 -8.842 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -29.194 35.486 -10.268 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -28.582 34.972 -10.795 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -28.811 36.364 -10.245 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -33.600 34.831 -9.430 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -33.524 34.926 -10.379 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -33.876 33.923 -9.301 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -32.247 34.857 -13.737 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -32.950 35.471 -13.947 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -32.692 34.019 -13.606 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -38.013 36.881 -14.189 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -37.835 36.235 -13.506 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -38.067 37.715 -13.722 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -29.426 51.393 -13.114 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -29.620 50.645 -13.679 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -29.465 52.151 -13.698 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -33.384 34.071 0.343 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -33.308 33.645 1.197 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -32.491 34.085 0.001 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -30.208 50.144 -0.964 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -30.990 49.958 -1.484 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -30.280 51.073 -0.747 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -28.673 37.319 12.608 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -28.624 37.929 13.344 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -28.247 37.780 11.885 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -33.318 38.344 7.748 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -32.672 38.015 8.373 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -32.808 38.862 7.125 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -29.962 34.396 3.824 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -30.861 34.535 4.119 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -29.710 35.227 3.422 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -28.772 48.762 2.201 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -28.699 49.701 2.371 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -27.867 48.457 2.144 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -32.183 43.679 1.641 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -32.141 43.456 0.711 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -31.334 44.077 1.831 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -33.877 38.157 2.930 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -34.815 38.269 2.779 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -33.580 39.014 3.236 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -28.274 40.234 4.285 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -28.828 39.838 3.613 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -28.173 41.144 4.008 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -28.082 51.476 2.772 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -27.339 52.062 2.632 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -28.777 52.044 3.105 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -34.489 37.245 5.360 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -34.269 37.717 4.557 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -33.931 37.640 6.031 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -36.405 36.054 7.133 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -36.752 36.672 7.778 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -35.747 36.555 6.652 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -31.853 49.788 1.390 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -31.570 48.994 1.843 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -31.113 50.021 0.829 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -29.288 44.268 1.261 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -29.561 43.843 0.448 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -29.248 45.199 1.044 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -28.829 45.137 5.236 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -27.979 45.558 5.364 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -28.824 44.397 5.844 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -28.435 43.190 7.060 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -29.161 42.711 7.458 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -27.854 43.396 7.792 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -29.818 40.331 2.002 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -29.721 40.998 1.322 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -29.958 39.515 1.520 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -30.570 37.739 1.119 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -29.960 37.367 1.756 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -31.407 37.317 1.315 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -30.938 39.294 6.085 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -30.658 38.387 6.210 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -30.179 39.728 5.696 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -30.324 36.557 6.134 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -30.142 36.108 6.959 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -30.924 35.972 5.670 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -28.458 36.624 2.662 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -28.045 35.903 2.186 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -27.776 37.294 2.720 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -29.493 34.791 15.819 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -30.306 35.116 15.431 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -29.260 34.031 15.286 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -30.921 34.347 10.254 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -30.317 34.895 9.753 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -31.790 34.667 10.014 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -29.194 35.486 8.588 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -28.582 34.972 8.061 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -28.811 36.364 8.611 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -33.600 34.831 9.426 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -33.524 34.926 8.477 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -33.876 33.923 9.555 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -28.014 53.448 -36.917 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -27.664 52.794 -37.523 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -27.867 54.285 -37.357 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -28.494 55.557 -38.568 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -29.411 55.828 -38.604 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -28.371 55.022 -39.352 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -29.493 53.647 -40.749 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -30.306 53.972 -41.137 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -29.260 52.887 -41.282 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -33.384 52.927 -37.369 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -33.308 52.501 -36.515 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -32.491 52.941 -37.711 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -29.962 53.252 -33.888 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -30.861 53.391 -33.593 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -29.710 54.083 -34.290 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -38.680 52.894 -20.125 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -37.968 52.254 -20.139 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -38.781 53.161 -21.039 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -38.327 54.577 -18.071 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -38.458 54.101 -18.892 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -38.926 55.321 -18.127 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -28.014 53.448 -18.061 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -27.664 52.794 -18.667 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -27.867 54.285 -18.501 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -28.494 55.557 -19.712 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -29.411 55.828 -19.748 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -28.371 55.022 -20.496 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -28.458 55.480 -35.050 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -28.045 54.759 -35.526 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -27.776 56.150 -34.992 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -29.493 53.647 -21.893 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -30.306 53.972 -22.281 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -29.260 52.887 -22.426 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -30.921 53.203 -27.458 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -30.317 53.751 -27.959 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -31.790 53.523 -27.698 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -32.247 53.713 -32.593 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -32.950 54.327 -32.803 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -32.692 52.875 -32.462 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -33.384 52.927 -18.513 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -33.308 52.501 -17.659 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -32.491 52.941 -18.855 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -28.673 56.175 -6.248 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -28.624 56.785 -5.512 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -28.247 56.636 -6.971 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -33.318 57.200 -11.108 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -32.672 56.871 -10.483 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -32.808 57.718 -11.731 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -31.207 55.206 -5.448 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -31.943 55.817 -5.486 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -30.523 55.621 -5.974 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -38.204 53.293 -7.982 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -38.321 52.344 -8.036 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -39.059 53.625 -7.709 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -29.962 53.252 -15.032 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -30.861 53.391 -14.737 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -29.710 54.083 -15.434 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -36.610 56.411 -16.545 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -36.864 56.430 -15.622 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -36.867 55.539 -16.846 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -33.877 57.013 -15.926 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -34.815 57.125 -16.077 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -33.580 57.870 -15.620 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -34.489 56.101 -13.496 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -34.269 56.573 -14.299 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -33.931 56.496 -12.825 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -36.405 54.910 -11.723 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -36.752 55.528 -11.078 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -35.747 55.411 -12.204 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -28.014 53.448 0.795 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -27.664 52.794 0.189 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -27.867 54.285 0.355 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -30.324 55.413 -12.722 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -30.142 54.964 -11.897 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -30.924 54.828 -13.186 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -28.494 55.557 -0.856 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -29.411 55.828 -0.892 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -28.371 55.022 -1.640 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -28.458 55.480 -16.194 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -28.045 54.759 -16.670 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -27.776 56.150 -16.136 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -29.493 53.647 -3.037 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -30.306 53.972 -3.425 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -29.260 52.887 -3.570 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -36.063 55.096 -8.714 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -36.738 54.467 -8.459 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -35.499 54.612 -9.317 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -30.921 53.203 -8.602 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -30.317 53.751 -9.103 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -31.790 53.523 -8.842 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -29.194 54.342 -10.268 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -28.582 53.828 -10.795 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -28.811 55.220 -10.245 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -39.157 53.657 -11.079 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -38.283 54.045 -11.109 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -39.293 53.442 -10.156 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -33.600 53.687 -9.430 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -33.524 53.782 -10.379 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -33.876 52.779 -9.301 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -32.247 53.713 -13.737 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -32.950 54.327 -13.947 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -32.692 52.875 -13.606 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -38.013 55.737 -14.189 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -37.835 55.091 -13.506 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -38.067 56.571 -13.722 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -9.226 -5.092 21.628 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -8.483 -4.506 21.488 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -9.921 -4.524 21.961 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -21.693 12.751 -17.931 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -20.925 12.292 -17.590 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -21.714 12.525 -18.861 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -15.802 6.318 -10.934 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -15.713 7.262 -11.066 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -16.441 6.043 -11.592 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -13.163 8.512 -9.213 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -13.604 7.792 -8.763 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -13.176 9.233 -8.583 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -23.577 9.638 -7.387 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -23.947 8.836 -7.756 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -22.636 9.469 -7.340 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -18.480 8.006 -7.109 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -18.176 7.320 -7.703 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -17.758 8.124 -6.491 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -16.005 8.919 -11.891 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.301 8.597 -12.742 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.329 9.819 -11.849 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -22.397 9.059 -4.360 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -22.403 9.938 -4.738 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -23.251 8.976 -3.935 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -12.651 10.352 -6.865 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -13.593 10.410 -6.704 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -12.375 11.258 -7.002 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -14.399 12.133 -10.240 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -13.974 11.426 -10.725 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -14.082 12.934 -10.657 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -13.240 10.034 -11.731 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -13.497 9.344 -12.343 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -13.169 9.591 -10.886 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -11.554 8.600 -3.254 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -11.414 8.009 -3.993 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -11.386 9.473 -3.610 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -22.030 6.402 -10.647 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -22.360 6.032 -11.466 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -21.442 5.732 -10.301 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -20.663 9.830 -7.966 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -20.758 9.252 -8.723 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -19.934 9.459 -7.470 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -15.354 10.674 -6.280 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -15.595 11.336 -5.632 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -15.552 9.840 -5.855 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -20.783 9.570 -2.297 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -21.095 10.352 -1.841 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -21.433 9.417 -2.983 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -22.544 11.642 -1.533 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -22.536 11.506 -2.481 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -23.460 11.524 -1.281 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -8.999 11.281 -1.677 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -9.048 10.326 -1.714 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -9.825 11.549 -1.275 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -18.020 10.855 -2.801 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -17.933 11.681 -2.326 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -18.884 10.525 -2.552 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -23.952 13.416 -11.214 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -23.800 13.068 -10.335 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -24.803 13.060 -11.469 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -14.504 13.781 -15.992 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -14.129 13.037 -16.463 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -14.500 13.511 -15.074 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -24.698 9.158 -3.200 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -24.481 8.797 -2.340 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -25.553 8.784 -3.410 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -18.919 7.631 -14.125 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -19.663 7.124 -14.448 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -19.053 7.680 -13.179 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -11.769 6.764 -5.339 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -11.127 7.221 -5.882 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -12.599 6.877 -5.801 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -17.399 7.815 -2.888 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -17.745 7.434 -2.082 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -17.599 8.749 -2.817 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -16.793 9.090 -15.100 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -17.088 9.916 -14.718 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -17.496 8.470 -14.904 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -9.454 8.322 -1.734 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -10.306 8.560 -2.101 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -8.864 8.305 -2.487 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -11.122 11.308 -14.106 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -11.495 10.482 -13.796 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -10.845 11.125 -15.003 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -19.992 8.107 -11.375 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -20.233 9.032 -11.333 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -20.732 7.648 -10.979 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -15.933 8.355 -5.359 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -16.359 8.128 -4.533 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -15.352 7.617 -5.542 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -13.730 9.284 -16.285 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -13.377 8.904 -15.481 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -14.679 9.191 -16.199 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -25.501 11.945 -5.048 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -25.284 11.013 -5.079 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -25.254 12.219 -4.164 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -19.639 10.396 -17.838 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -19.400 9.648 -18.386 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -19.908 10.008 -17.006 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -20.702 9.966 -15.382 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -20.555 9.446 -14.592 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -20.705 10.873 -15.076 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -20.626 12.707 -14.651 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -20.465 13.507 -15.152 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -20.823 13.014 -13.766 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -12.004 13.161 -6.923 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -12.160 13.839 -7.580 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -11.072 13.233 -6.720 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -25.579 11.219 -12.025 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -26.411 11.692 -11.998 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -25.033 11.729 -12.624 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -26.290 13.832 -0.695 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -25.750 13.615 0.064 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -26.771 13.026 -0.885 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -21.693 12.751 0.925 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -20.925 12.292 1.266 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -21.714 12.525 -0.005 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -17.601 12.259 -17.700 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -18.245 11.628 -17.378 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -16.839 11.728 -17.932 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -13.993 7.528 -2.925 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -13.248 8.116 -3.045 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -14.750 8.110 -2.862 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -19.924 14.892 -16.039 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -18.991 15.050 -15.895 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -20.188 15.567 -16.664 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -26.837 13.002 -9.674 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -27.171 12.121 -9.502 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -26.615 13.347 -8.810 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -9.288 13.811 -6.694 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -9.310 13.996 -5.755 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -8.598 14.380 -7.035 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -9.725 13.378 -3.772 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -10.212 12.643 -4.143 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -9.176 12.985 -3.094 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -11.274 9.168 0.866 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -12.140 9.063 1.260 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -10.898 9.927 1.313 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -9.820 8.263 -6.848 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -8.986 7.885 -7.129 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -9.708 9.206 -6.967 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -11.333 11.141 -4.541 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -11.981 11.466 -3.916 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -11.851 10.701 -5.216 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -12.550 13.901 -11.122 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -11.897 13.554 -11.730 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -12.039 14.390 -10.476 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -25.165 10.830 -0.579 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -25.986 11.005 -1.039 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -25.417 10.757 0.342 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -22.211 11.805 -4.320 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -22.636 12.614 -4.603 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -21.306 11.890 -4.622 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -25.394 13.684 -7.362 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -25.413 13.259 -6.505 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -24.589 13.366 -7.771 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -23.253 12.394 -8.707 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -23.472 11.478 -8.538 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -22.429 12.534 -8.241 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -26.143 12.908 -14.191 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -26.828 12.870 -14.859 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -26.140 13.821 -13.903 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -17.279 14.118 -15.794 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -16.413 14.484 -15.972 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -17.526 13.678 -16.607 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -10.570 13.681 -13.114 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -10.764 12.933 -13.679 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -10.609 14.439 -13.698 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -11.352 12.432 -0.964 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -12.134 12.246 -1.484 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -11.424 13.361 -0.747 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -13.163 8.512 9.643 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -13.604 7.792 10.093 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -13.176 9.233 10.273 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -9.817 -0.393 12.608 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -9.768 0.217 13.344 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -9.391 0.068 11.885 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -9.425 1.085 14.844 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -10.114 1.743 14.749 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -9.410 0.888 15.781 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -16.005 8.919 6.965 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -16.301 8.597 6.114 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -16.329 9.819 7.007 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -12.651 10.352 11.991 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -13.593 10.410 12.152 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -12.375 11.258 11.854 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -13.240 10.034 7.125 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -13.497 9.344 6.513 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -13.169 9.591 7.970 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -11.554 8.600 15.602 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -11.414 8.009 14.863 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -11.386 9.473 15.246 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -9.712 4.940 13.668 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -10.364 5.635 13.757 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -9.247 5.150 12.858 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -13.778 3.946 15.394 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -13.698 4.709 15.966 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -14.379 4.225 14.703 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -20.663 9.830 10.890 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -20.758 9.252 10.133 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -19.934 9.459 11.386 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -15.354 10.674 12.576 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -15.595 11.336 13.224 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -15.552 9.840 13.001 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -20.783 9.570 16.559 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -21.095 10.352 17.015 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -21.433 9.417 15.873 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -22.544 11.642 17.323 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -22.536 11.506 16.375 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -23.460 11.524 17.575 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -9.916 11.050 2.201 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -9.843 11.989 2.371 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -9.011 10.745 2.144 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -18.020 10.855 16.055 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -17.933 11.681 16.530 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -18.884 10.525 16.304 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -23.952 13.416 7.642 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -23.800 13.068 8.521 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -24.803 13.060 7.387 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -14.504 13.781 2.864 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -14.129 13.037 2.393 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -14.500 13.511 3.782 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -11.847 2.774 17.659 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -12.254 3.255 16.939 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -11.806 1.869 17.352 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -18.919 7.631 4.731 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -19.663 7.124 4.408 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -19.053 7.680 5.677 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -11.769 6.764 13.517 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -11.127 7.221 12.974 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -12.599 6.877 13.055 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -17.399 7.815 15.968 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -17.745 7.434 16.774 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -17.599 8.749 16.039 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -16.793 9.090 3.756 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -17.088 9.916 4.138 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -17.496 8.470 3.952 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -15.149 10.277 15.918 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -16.050 10.460 15.650 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -15.115 10.536 16.839 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -9.454 8.322 17.122 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -10.306 8.560 16.755 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -8.864 8.305 16.369 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -11.122 11.308 4.750 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -11.495 10.482 5.060 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -10.845 11.125 3.853 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -21.419 10.444 7.905 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -20.892 11.217 7.704 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -22.299 10.669 7.603 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -19.992 8.107 7.481 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -20.233 9.032 7.523 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -20.732 7.648 7.877 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -19.477 12.256 13.796 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -19.114 13.111 13.563 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -18.945 11.964 14.537 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -21.308 13.129 7.026 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -22.258 13.234 7.078 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -20.957 13.949 7.371 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -13.730 9.284 2.571 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -13.377 8.904 3.375 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -14.679 9.191 2.657 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -13.274 12.907 15.966 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -13.876 12.352 15.471 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -12.993 13.574 15.340 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -9.226 13.764 2.772 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -8.483 14.350 2.632 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -9.921 14.332 3.105 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -12.864 7.957 4.797 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -13.141 7.229 5.353 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -11.937 8.076 5.003 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -19.639 10.396 1.018 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -19.400 9.648 0.470 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -19.908 10.008 1.850 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -20.702 9.966 3.474 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -20.555 9.446 4.264 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -20.705 10.873 3.780 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -20.626 12.707 4.205 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -20.465 13.507 3.704 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -20.823 13.014 5.090 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -11.693 0.154 16.215 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -12.609 0.417 16.127 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -11.357 0.151 15.318 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -12.004 13.161 11.933 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -12.160 13.839 11.276 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -11.072 13.233 12.136 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -21.693 12.751 19.781 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -20.925 12.292 20.122 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -21.714 12.525 18.851 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -17.601 12.259 1.156 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -18.245 11.628 1.478 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -16.839 11.728 0.924 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -12.997 12.076 1.390 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -12.714 11.282 1.843 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -12.257 12.309 0.829 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -19.728 7.612 18.548 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -20.056 7.883 17.690 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -19.576 6.671 18.460 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -16.690 9.033 0.983 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -16.958 9.213 1.884 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -16.896 8.107 0.852 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -13.993 7.528 15.931 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -13.248 8.116 15.811 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -14.750 8.110 15.994 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -16.584 6.322 19.187 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -15.631 6.406 19.159 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -16.744 5.611 19.806 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -14.854 2.830 19.752 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -14.662 1.899 19.641 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -13.997 3.255 19.742 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -13.538 5.619 17.830 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -13.819 6.328 17.252 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -12.595 5.546 17.679 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -27.707 14.921 7.377 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -28.354 14.459 6.844 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -27.352 14.249 7.960 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -9.288 13.811 12.162 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -9.310 13.996 13.101 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -8.598 14.380 11.821 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -9.725 13.378 15.084 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -10.212 12.643 14.713 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -9.176 12.985 15.762 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -9.820 8.263 12.008 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -8.986 7.885 11.727 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -9.708 9.206 11.889 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -11.333 11.141 14.315 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -11.981 11.466 14.940 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -11.851 10.701 13.640 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -10.936 5.969 17.262 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -10.353 5.235 17.453 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -10.372 6.741 17.308 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -11.470 2.163 11.521 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -10.537 2.375 11.487 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -11.705 2.265 12.444 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -11.441 2.900 14.297 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -12.284 3.168 14.663 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -10.998 3.722 14.086 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -9.158 -3.120 19.651 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -8.808 -3.774 19.045 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -9.011 -2.283 19.211 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -9.638 -1.011 18.000 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -10.555 -0.740 17.964 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -9.515 -1.546 17.216 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -22.211 11.805 14.536 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -22.636 12.614 14.253 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -21.306 11.890 14.234 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -24.809 15.061 14.583 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -25.529 15.501 14.132 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -25.175 14.810 15.432 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -22.342 14.661 13.613 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -23.207 14.733 14.017 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -22.397 15.208 12.829 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -17.631 14.549 12.789 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -18.088 15.078 12.135 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -17.468 15.152 13.514 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -15.304 13.427 13.734 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -16.208 13.592 13.468 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -14.875 14.280 13.668 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -12.699 14.997 14.029 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -12.881 15.913 13.818 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -12.523 14.587 13.182 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -23.253 12.394 10.149 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -23.472 11.478 10.318 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -22.429 12.534 10.615 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -20.716 12.864 10.997 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -20.503 11.976 10.710 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -20.651 12.830 11.952 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -26.143 12.908 4.665 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -26.828 12.870 3.997 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -26.140 13.821 4.953 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -10.570 13.681 5.742 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -10.764 12.933 5.177 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -10.609 14.439 5.158 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -24.325 13.828 1.690 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -24.593 14.115 2.563 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -23.554 13.282 1.842 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -16.869 5.573 30.197 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -16.907 4.927 30.902 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -17.192 5.107 29.426 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -16.052 13.617 28.711 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -15.432 12.940 28.438 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -16.260 13.399 29.619 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -18.480 8.006 30.603 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -18.176 7.320 30.009 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -17.758 8.124 31.221 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -14.462 0.632 26.604 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -13.816 0.303 27.229 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -13.952 1.150 25.981 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -20.408 4.448 28.181 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -19.792 3.922 28.690 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -20.994 3.808 27.777 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -12.651 10.352 30.847 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -13.593 10.410 31.008 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -12.375 11.258 30.710 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -17.027 4.020 21.269 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -16.326 4.042 21.920 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -16.725 3.392 20.613 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -22.030 6.402 27.065 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -22.360 6.032 26.246 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -21.442 5.732 27.411 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -20.663 9.830 29.746 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -20.758 9.252 28.989 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -19.934 9.459 30.242 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -15.354 10.674 31.432 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -15.595 11.336 32.080 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -15.552 9.840 31.857 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -14.804 4.934 22.867 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -14.225 5.084 23.614 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -14.390 5.405 22.144 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -23.040 5.472 24.654 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -23.332 6.240 24.163 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -23.714 4.812 24.491 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -13.327 5.967 20.497 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -13.285 5.744 19.567 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -12.478 6.365 20.687 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -16.455 3.231 25.332 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -16.864 4.046 25.040 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -15.735 3.091 24.717 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -15.451 2.677 28.146 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -15.646 3.282 27.431 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -15.269 1.843 27.711 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -20.928 1.871 24.084 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -19.996 2.000 24.262 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -21.143 2.541 23.435 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -18.089 3.030 29.488 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -17.525 2.483 28.941 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -18.237 2.508 30.277 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -11.769 6.764 32.373 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -11.127 7.221 31.830 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -12.599 6.877 31.911 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -14.303 2.312 23.447 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -13.411 2.175 23.766 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -14.246 3.103 22.910 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -9.418 2.522 23.141 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -9.972 2.126 22.469 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -9.317 3.432 22.864 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -13.962 6.116 30.628 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -14.890 5.884 30.601 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -13.511 5.339 30.298 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -21.419 10.444 26.761 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -20.892 11.217 26.560 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -22.299 10.669 26.459 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -19.992 8.107 26.337 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -20.233 9.032 26.379 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -20.732 7.648 26.733 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -21.308 13.129 25.882 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -22.258 13.234 25.934 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -20.957 13.949 26.227 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.933 8.355 32.353 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -16.359 8.128 33.179 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -15.352 7.617 32.170 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -19.639 10.396 19.874 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -19.400 9.648 19.326 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -19.908 10.008 20.706 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -20.702 9.966 22.330 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -20.555 9.446 23.120 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -20.705 10.873 22.636 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -17.964 11.664 23.079 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -18.781 12.161 23.132 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -17.435 12.139 22.439 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -18.433 1.261 25.051 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -17.621 1.765 25.097 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -18.678 1.116 25.965 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -20.626 12.707 23.061 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -20.465 13.507 22.560 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -20.823 13.014 23.946 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -13.091 3.905 29.167 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -13.888 3.490 28.838 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -12.646 3.214 29.658 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -12.004 13.161 30.789 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -12.160 13.839 30.132 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -11.072 13.233 30.992 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -22.042 7.986 20.103 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -21.978 7.192 20.634 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -21.389 7.867 19.414 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -16.690 9.033 19.839 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -16.958 9.213 20.740 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -16.896 8.107 19.708 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -20.893 5.958 22.409 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -21.352 5.474 23.095 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -20.638 5.290 21.773 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -19.822 4.201 20.672 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -20.002 4.047 19.744 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -18.871 4.309 20.716 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -19.924 14.892 21.673 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -18.991 15.050 21.817 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -20.188 15.567 21.048 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -9.288 13.811 31.018 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -9.310 13.996 31.957 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -8.598 14.380 30.677 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -9.579 5.478 25.916 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -10.305 4.999 26.314 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -8.998 5.684 26.648 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -9.820 8.263 30.864 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -8.986 7.885 30.583 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -9.708 9.206 30.745 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -11.333 11.141 33.171 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -11.981 11.466 33.796 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -11.851 10.701 32.496 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -10.962 2.619 20.858 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -10.865 3.286 20.178 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -11.102 1.803 20.376 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -11.792 3.999 26.479 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -11.942 3.054 26.459 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -12.146 4.280 27.323 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -11.714 0.027 19.975 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -11.104 -0.345 20.612 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -12.551 -0.395 20.171 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -12.082 1.582 24.941 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -11.802 0.675 25.066 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -11.323 2.016 24.552 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -9.602 -1.088 21.518 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -9.189 -1.809 21.042 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -8.920 -0.418 21.576 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -17.631 14.549 31.645 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -18.088 15.078 30.991 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -17.468 15.152 32.370 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -15.304 13.427 32.590 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -16.208 13.592 32.324 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -14.875 14.280 32.524 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -20.716 12.864 29.853 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -20.503 11.976 29.566 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -20.651 12.830 30.808 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -24.325 13.828 20.546 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -24.593 14.115 21.419 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -23.554 13.282 20.698 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -8.999 30.137 -20.533 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -9.048 29.182 -20.570 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -9.825 30.405 -20.131 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -17.353 22.262 -19.748 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -17.916 21.558 -19.428 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -16.527 22.142 -19.281 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -11.717 34.005 -19.426 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -11.517 34.429 -20.261 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -11.061 34.348 -18.819 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -15.116 29.987 -19.202 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -15.467 29.131 -18.959 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -14.390 30.130 -18.595 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -16.584 25.178 -18.525 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -15.631 25.262 -18.553 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -16.744 24.467 -17.906 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -14.854 21.686 -17.960 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -14.662 20.755 -18.071 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -13.997 22.111 -17.970 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -19.471 16.865 -18.071 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -19.602 16.389 -18.892 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -20.070 17.609 -18.127 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -11.274 28.024 -17.990 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -12.140 27.919 -17.596 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -10.898 28.783 -17.543 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -14.528 15.215 -18.513 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -14.452 14.789 -17.659 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -13.635 15.229 -18.855 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -11.352 31.288 -19.820 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -12.134 31.102 -20.340 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -11.424 32.217 -19.603 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -26.967 22.154 -11.994 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -27.415 23.000 -12.012 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -27.528 21.574 -12.509 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -26.257 24.316 -9.868 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -26.043 23.546 -9.341 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -25.519 24.405 -10.471 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -25.564 21.754 -8.747 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -24.910 21.204 -8.315 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -25.540 21.480 -9.663 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -17.027 22.876 -16.443 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -16.326 22.898 -15.792 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -16.725 22.248 -17.099 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -11.106 15.540 -15.032 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -12.005 15.679 -14.737 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -10.854 16.371 -15.434 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -23.040 24.328 -13.058 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -23.332 25.096 -13.549 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -23.714 23.668 -13.221 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -9.916 29.906 -16.655 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -9.843 30.845 -16.485 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -9.011 29.601 -16.712 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -14.504 32.637 -15.992 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -14.129 31.893 -16.463 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -14.500 32.367 -15.074 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -13.327 24.823 -17.215 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -13.285 24.600 -18.145 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -12.478 25.221 -17.025 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -17.754 18.699 -16.545 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -18.008 18.718 -15.622 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -18.011 17.827 -16.846 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -20.872 19.144 -17.444 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -21.303 18.699 -16.714 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -21.590 19.516 -17.956 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -27.630 18.886 -10.392 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -26.999 18.857 -9.672 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -27.180 18.461 -11.122 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.581 20.727 -11.284 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -25.470 20.827 -11.624 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -24.285 19.885 -11.630 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -20.928 20.727 -13.628 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -19.996 20.856 -13.450 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -21.143 21.397 -14.277 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -22.254 21.922 -16.061 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -22.796 21.542 -16.752 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -21.420 22.116 -16.490 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -23.087 18.022 -11.806 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -23.404 17.120 -11.841 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -22.306 18.024 -12.358 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -18.919 26.487 -14.125 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -19.663 25.980 -14.448 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -19.053 26.536 -13.179 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -15.021 19.301 -15.926 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -15.959 19.413 -16.077 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -14.724 20.158 -15.620 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -23.794 25.782 -8.356 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -23.049 25.780 -8.957 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -23.716 24.958 -7.874 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -16.793 27.946 -15.100 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -17.088 28.772 -14.718 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -17.496 27.326 -14.904 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -9.418 21.378 -14.571 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -9.972 20.982 -15.243 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -9.317 22.288 -14.848 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -21.419 29.300 -10.951 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -20.892 30.073 -11.152 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -22.299 29.525 -11.253 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -21.308 31.985 -11.830 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -22.258 32.090 -11.778 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -20.957 32.805 -11.485 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -13.730 28.140 -16.285 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -13.377 27.760 -15.481 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -14.679 28.047 -16.199 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -25.152 18.996 -3.483 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -26.045 19.335 -3.550 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -25.251 18.141 -3.065 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -20.702 28.822 -15.382 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -20.555 28.302 -14.592 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -20.705 29.729 -15.076 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -24.249 26.075 -14.872 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -24.935 26.427 -14.305 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -23.726 26.838 -15.118 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -15.633 18.389 -13.496 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -15.413 18.861 -14.299 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -15.075 18.784 -12.825 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -17.964 30.520 -14.633 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -18.781 31.017 -14.580 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -17.435 30.995 -15.273 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -20.626 31.563 -14.651 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -20.465 32.363 -15.152 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -20.823 31.870 -13.766 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -21.892 18.261 -15.035 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -21.975 19.150 -14.689 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -21.002 17.996 -14.804 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -23.633 28.689 -15.975 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -23.041 29.388 -15.699 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -23.174 28.256 -16.694 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -24.509 16.135 -8.186 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -24.738 16.194 -9.113 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -24.952 15.343 -7.879 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -17.601 31.115 -17.700 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -18.245 30.484 -17.378 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -16.839 30.584 -17.932 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -12.997 30.932 -17.466 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -12.714 30.138 -17.013 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -12.257 31.165 -18.027 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -22.042 26.842 -17.609 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -21.978 26.048 -17.078 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -21.389 26.723 -18.298 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -16.690 27.889 -17.873 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -16.958 28.069 -16.972 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -16.896 26.963 -18.004 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -20.893 24.814 -15.303 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -21.352 24.330 -14.617 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -20.638 24.146 -15.939 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -19.822 23.057 -17.040 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -20.002 22.903 -17.968 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -18.871 23.165 -16.996 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -10.432 25.412 -17.595 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -10.705 24.987 -18.408 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -10.392 26.343 -17.812 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -24.605 19.181 -0.248 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -24.394 18.474 -0.859 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -24.717 18.743 0.596 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -19.924 33.748 -16.039 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -18.991 33.906 -15.895 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -20.188 34.423 -16.664 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -26.356 28.384 -16.556 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -25.442 28.463 -16.283 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -26.349 27.697 -17.223 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -9.311 24.235 -15.405 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -9.832 24.592 -16.124 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -9.344 24.910 -14.727 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -10.962 21.475 -16.854 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -10.865 22.142 -17.534 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -11.102 20.659 -17.336 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -12.082 20.438 -12.771 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -11.802 19.531 -12.646 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -11.323 20.872 -13.160 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -27.159 20.204 -1.082 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -26.240 20.082 -0.846 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -27.609 19.454 -0.693 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -11.468 17.701 -12.722 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -11.286 17.252 -11.897 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -12.068 17.116 -13.186 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -25.938 18.516 -8.191 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -25.493 17.724 -7.889 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -25.472 19.232 -7.760 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -27.634 21.515 -7.122 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -27.142 21.294 -7.912 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -27.272 22.356 -6.841 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -27.357 16.511 -4.723 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -28.022 16.265 -4.080 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -27.800 17.133 -5.300 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -10.338 16.630 -10.268 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -9.726 16.116 -10.795 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -9.955 17.508 -10.245 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -24.881 16.018 -10.892 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -25.658 15.784 -11.400 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -24.350 15.221 -10.884 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -13.391 16.001 -13.737 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -14.094 16.615 -13.947 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -13.836 15.163 -13.606 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -26.143 31.764 -14.191 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -26.828 31.726 -14.859 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -26.140 32.677 -13.903 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -19.157 18.025 -14.189 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -18.979 17.379 -13.506 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -19.211 18.859 -13.722 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -17.279 32.974 -15.794 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -16.413 33.340 -15.972 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -17.526 32.534 -16.607 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -24.325 32.684 -17.166 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -24.593 32.971 -16.293 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -23.554 32.138 -17.014 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -26.967 22.154 6.862 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -27.415 23.000 6.844 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -27.528 21.574 6.347 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -9.425 19.941 14.844 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -10.114 20.599 14.749 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -9.410 19.744 15.781 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -23.374 18.275 13.421 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -23.593 18.805 12.655 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -24.042 18.502 14.069 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -12.698 18.779 9.729 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -12.913 18.013 10.261 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -12.042 19.251 10.242 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -12.351 17.494 13.408 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -13.087 18.105 13.370 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -11.667 17.909 12.882 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -19.348 15.581 10.874 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -19.465 14.632 10.820 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -20.203 15.913 11.147 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -11.554 27.456 15.602 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -11.414 26.865 14.863 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -11.386 28.329 15.246 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -9.712 23.796 13.668 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -10.364 24.491 13.757 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -9.247 24.006 12.858 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -23.863 24.624 15.788 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -23.793 25.275 16.486 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -24.754 24.727 15.453 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -11.106 15.540 3.824 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -12.005 15.679 4.119 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -10.854 16.371 3.422 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -22.079 16.484 11.652 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -22.940 16.397 11.244 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -22.101 17.340 12.079 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -24.238 21.770 14.614 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -24.276 22.170 15.482 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -24.729 20.953 14.704 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -27.630 18.886 8.464 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -26.999 18.857 9.184 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -27.180 18.461 7.734 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -26.355 19.632 3.888 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -25.881 20.223 3.303 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -27.073 20.163 4.235 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -15.004 18.333 12.009 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -15.681 18.464 12.673 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -15.490 18.178 11.199 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -24.119 26.479 17.894 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -23.386 26.733 18.455 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -24.899 26.683 18.409 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -26.786 24.243 15.815 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -26.563 23.825 16.647 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -27.388 23.630 15.393 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -9.454 27.178 17.122 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -10.306 27.416 16.755 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -8.864 27.161 16.369 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -13.274 31.763 15.966 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -13.876 31.208 15.471 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -12.993 32.430 15.340 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -25.152 18.996 15.373 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -26.045 19.335 15.306 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -25.251 18.141 15.791 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -11.693 19.010 16.215 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -12.609 19.273 16.127 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -11.357 19.007 15.318 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -12.004 32.017 11.933 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -12.160 32.695 11.276 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -11.072 32.089 12.136 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -24.509 16.135 10.670 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -24.738 16.194 9.743 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -24.952 15.343 10.977 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -26.290 32.688 18.161 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -25.750 32.471 18.920 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -26.771 31.882 17.971 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -21.693 31.607 19.781 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -20.925 31.148 20.122 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -21.714 31.381 18.851 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -15.116 29.987 18.510 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -15.467 29.131 18.753 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -14.390 30.130 19.117 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -26.383 26.498 19.115 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -26.239 25.596 18.829 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -27.156 26.784 18.627 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -25.551 23.698 18.535 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -25.143 22.841 18.414 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -25.811 23.713 19.456 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -20.852 18.432 14.484 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -20.316 18.883 13.832 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -21.704 18.324 14.062 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -22.786 21.260 18.903 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -23.553 20.728 18.693 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -22.107 20.950 18.304 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -24.605 19.181 18.608 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -24.394 18.474 17.997 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -24.717 18.743 19.452 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -19.924 33.748 2.817 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -18.991 33.906 2.961 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -20.188 34.423 2.192 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -9.288 32.667 12.162 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -9.310 32.852 13.101 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -8.598 33.236 11.821 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -11.274 28.024 19.722 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -12.140 27.919 20.116 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -10.898 28.783 20.169 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -9.820 27.119 12.008 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -8.986 26.741 11.727 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -9.708 28.062 11.889 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -11.333 29.997 14.315 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -11.981 30.322 14.940 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -11.851 29.557 13.640 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -10.936 24.825 17.262 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -10.353 24.091 17.453 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -10.372 25.597 17.308 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -9.439 22.728 17.946 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -10.302 22.349 17.781 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -8.835 21.989 17.872 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -11.470 21.019 11.521 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -10.537 21.231 11.487 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -11.705 21.121 12.444 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -11.441 21.756 14.297 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -12.284 22.024 14.663 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -10.998 22.578 14.086 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -25.938 18.516 10.665 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -25.493 17.724 10.967 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -25.472 19.232 11.096 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -27.634 21.515 11.734 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -27.142 21.294 10.944 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -27.272 22.356 12.015 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -9.638 17.845 18.000 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -10.555 18.116 17.964 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -9.515 17.310 17.216 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -27.321 17.773 5.789 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -28.246 17.982 5.659 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -26.867 18.257 5.099 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -25.165 29.686 18.277 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -25.986 29.861 17.817 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -25.417 29.613 19.198 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -17.900 32.060 17.495 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -17.715 31.726 18.373 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -17.053 32.369 17.173 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -15.555 33.345 16.739 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -14.878 32.713 16.499 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -15.233 33.747 17.547 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -10.637 15.935 15.819 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -11.450 16.260 15.431 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -10.404 15.175 15.286 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -24.809 33.917 14.583 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -25.529 34.357 14.132 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -25.175 33.666 15.432 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -15.304 32.283 13.734 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -16.208 32.448 13.468 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -14.875 33.136 13.668 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -12.699 33.853 14.029 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -12.881 34.769 13.818 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -12.523 33.443 13.182 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -12.065 15.491 10.254 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -11.461 16.039 9.753 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -12.934 15.811 10.014 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -10.338 16.630 8.588 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -9.726 16.116 8.061 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -9.955 17.508 8.611 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -24.881 16.018 7.964 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -25.658 15.784 7.456 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -24.350 15.221 7.972 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -26.044 15.816 3.767 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -25.605 16.427 3.176 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -26.678 16.354 4.241 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -24.923 16.532 17.481 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -25.289 15.767 17.924 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -24.010 16.561 17.768 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -22.950 15.883 19.017 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -22.051 15.609 18.832 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -23.336 15.140 19.481 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -15.802 25.174 26.778 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -15.713 26.118 26.646 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -16.441 24.899 26.120 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -16.869 24.429 30.197 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -16.907 23.783 30.902 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -17.192 23.963 29.426 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -13.163 27.368 28.499 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -13.604 26.648 28.949 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -13.176 28.089 29.129 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -15.339 21.256 30.931 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -15.196 20.309 30.951 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -15.445 21.463 30.002 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -22.184 19.357 28.203 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -22.141 20.217 27.785 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -22.642 18.805 27.570 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -20.408 23.304 28.181 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -19.792 22.778 28.690 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -20.994 22.664 27.777 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -16.005 27.775 25.821 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.301 27.453 24.970 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -16.329 28.675 25.863 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -12.698 18.779 28.585 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.913 18.013 29.117 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -12.042 19.251 29.098 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -19.348 15.581 29.730 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -19.465 14.632 29.676 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -20.203 15.913 30.003 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -13.240 28.890 25.981 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -13.497 28.200 25.369 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -13.169 28.447 26.826 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -22.030 25.258 27.065 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -22.360 24.888 26.246 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -21.442 24.588 27.411 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -17.078 30.527 26.302 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -16.604 30.822 27.080 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -17.641 31.265 26.069 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -23.040 24.328 24.654 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -23.332 25.096 24.163 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -23.714 23.668 24.491 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -21.991 21.671 26.515 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -22.884 21.330 26.456 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -21.540 21.294 25.759 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -15.451 21.533 28.146 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -15.646 22.138 27.431 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -15.269 20.699 27.711 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -19.409 19.098 27.601 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -20.320 19.155 27.890 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -18.904 19.038 28.412 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -20.928 20.727 24.084 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -19.996 20.856 24.262 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -21.143 21.397 23.435 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -15.004 18.333 30.865 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -15.681 18.464 31.529 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -15.490 18.178 30.055 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -22.254 21.922 21.651 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -22.796 21.542 20.960 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -21.420 22.116 21.222 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -18.089 21.886 29.488 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -17.525 21.339 28.941 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -18.237 21.364 30.277 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -23.087 18.022 25.906 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -23.404 17.120 25.871 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -22.306 18.024 25.354 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -16.793 27.946 22.612 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -17.088 28.772 22.994 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -17.496 27.326 22.808 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -9.418 21.378 23.141 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -9.972 20.982 22.469 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -9.317 22.288 22.864 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -13.962 24.972 30.628 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -14.890 24.740 30.601 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -13.511 24.195 30.298 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -19.992 26.963 26.337 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -20.233 27.888 26.379 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -20.732 26.504 26.733 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -13.730 28.140 21.427 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -13.377 27.760 22.231 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -14.679 28.047 21.513 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -12.864 26.813 23.653 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -13.141 26.085 24.209 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -11.937 26.932 23.859 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -19.639 29.252 19.874 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -19.400 28.504 19.326 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -19.908 28.864 20.706 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -20.702 28.822 22.330 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -20.555 28.302 23.120 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -20.705 29.729 22.636 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -24.249 26.075 22.840 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -24.935 26.427 23.407 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -23.726 26.838 22.594 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -17.964 30.520 23.079 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -18.781 31.017 23.132 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -17.435 30.995 22.439 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -21.892 18.261 22.677 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -21.975 19.150 23.023 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -21.002 17.996 22.908 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -13.091 22.761 29.167 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -13.888 22.346 28.838 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -12.646 22.070 29.658 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -23.633 28.689 21.737 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -23.041 29.388 22.013 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -23.174 28.256 21.018 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -25.317 21.353 20.853 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -25.362 22.292 21.032 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -26.205 21.117 20.583 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -17.601 31.115 20.012 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -18.245 30.484 20.334 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -16.839 30.584 19.780 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -12.997 30.932 20.246 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -12.714 30.138 20.699 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -12.257 31.165 19.685 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -22.042 26.842 20.103 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -21.978 26.048 20.634 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -21.389 26.723 19.414 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -16.690 27.889 19.839 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -16.958 28.069 20.740 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -16.896 26.963 19.708 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -20.893 24.814 22.409 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -21.352 24.330 23.095 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -20.638 24.146 21.773 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -10.432 25.412 20.117 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -10.705 24.987 19.304 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -10.392 26.343 19.900 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -26.356 28.384 21.156 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -25.442 28.463 21.429 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -26.349 27.697 20.489 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -9.973 26.281 24.092 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -9.123 26.702 24.220 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -9.968 25.541 24.700 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -9.579 24.334 25.916 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -10.305 23.855 26.314 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -8.998 24.540 26.648 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -9.311 24.235 22.307 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -9.832 24.592 21.588 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -9.344 24.910 22.985 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -10.962 21.475 20.858 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -10.865 22.142 20.178 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -11.102 20.659 20.376 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -11.792 22.855 26.479 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -11.942 21.910 26.459 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -12.146 23.136 27.323 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -11.470 21.019 30.377 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -10.537 21.231 30.343 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -11.705 21.121 31.300 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -9.602 17.768 21.518 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -9.189 17.047 21.042 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -8.920 18.438 21.576 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -17.207 17.384 28.998 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -17.882 16.755 29.253 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -16.643 16.900 28.395 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -12.065 15.491 29.110 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -11.461 16.039 28.609 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -12.934 15.811 28.870 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -10.338 16.630 27.444 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -9.726 16.116 26.917 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -9.955 17.508 27.467 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -20.301 15.945 26.633 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -19.427 16.333 26.603 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -20.437 15.730 27.556 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -14.744 15.975 28.282 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -14.668 16.070 27.333 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -15.020 15.067 28.411 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -24.183 17.732 21.066 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -23.692 17.102 20.538 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -23.560 18.028 21.729 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -24.325 32.684 20.546 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -24.593 32.971 21.419 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -23.554 32.138 20.698 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -24.501 42.900 -43.634 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -24.459 42.274 -42.910 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -23.798 43.523 -43.452 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -26.967 41.010 -49.706 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -27.415 41.856 -49.724 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -27.528 40.430 -50.221 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -26.257 43.172 -47.580 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -26.043 42.402 -47.053 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -25.519 43.261 -48.183 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -25.564 40.610 -46.459 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -24.910 40.060 -46.027 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -25.540 40.336 -47.375 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -22.397 46.771 -42.072 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -22.403 47.650 -42.450 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -23.251 46.688 -41.647 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -20.783 47.282 -40.009 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -21.095 48.064 -39.553 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -21.433 47.129 -40.695 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -23.863 43.480 -40.780 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -23.793 44.131 -40.082 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -24.754 43.583 -41.115 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -22.544 49.354 -39.245 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -22.536 49.218 -40.193 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -23.460 49.236 -38.993 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -26.947 45.547 -41.955 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -27.448 45.519 -42.770 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -26.941 44.641 -41.645 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -27.196 48.327 -45.071 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -26.250 48.183 -45.090 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -27.309 49.111 -44.534 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -24.698 46.870 -40.912 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -24.481 46.509 -40.052 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -25.553 46.496 -41.122 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -24.238 40.626 -41.954 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -24.276 41.026 -41.086 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -24.729 39.809 -41.864 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -27.630 37.742 -48.104 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -26.999 37.713 -47.384 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -27.180 37.317 -48.834 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -24.119 45.335 -38.674 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.386 45.589 -38.113 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -24.899 45.539 -38.159 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -26.786 43.099 -40.753 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -26.563 42.681 -39.921 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -27.388 42.486 -41.175 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -19.769 42.616 -38.540 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -20.065 42.450 -39.435 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -18.838 42.396 -38.550 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -25.152 37.852 -41.195 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -26.045 38.191 -41.262 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -25.251 36.997 -40.777 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -25.501 49.657 -42.760 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -25.284 48.725 -42.791 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -25.254 49.931 -41.876 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -26.290 51.544 -38.407 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -25.750 51.327 -37.648 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -26.771 50.738 -38.597 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -21.693 50.463 -36.787 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -20.925 50.004 -36.446 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -21.714 50.237 -37.717 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -19.728 45.324 -38.020 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -20.056 45.595 -38.878 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -19.576 44.383 -38.108 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -21.604 41.563 -40.659 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -22.222 42.238 -40.378 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -21.260 41.884 -41.492 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -21.264 38.918 -39.576 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -21.114 38.189 -40.179 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -21.262 39.695 -40.135 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -22.786 40.116 -37.665 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -23.553 39.584 -37.875 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -22.107 39.806 -38.264 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -24.605 38.037 -37.960 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -24.394 37.330 -38.571 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -24.717 37.599 -37.116 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -26.757 43.789 -44.935 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -26.573 43.707 -45.870 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -25.908 43.665 -44.511 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -27.159 39.060 -38.794 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -26.240 38.938 -38.558 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -27.609 38.310 -38.405 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -25.938 37.372 -45.903 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -25.493 36.580 -45.601 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -25.472 38.088 -45.472 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -27.634 40.371 -44.834 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -27.142 40.150 -45.624 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -27.272 41.212 -44.553 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -27.357 35.367 -42.435 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -28.022 35.121 -41.792 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -27.800 35.989 -43.012 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -22.211 49.517 -42.032 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -22.636 50.326 -42.315 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -21.306 49.602 -42.334 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -24.809 52.773 -41.985 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -25.529 53.213 -42.436 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -25.175 52.522 -41.136 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -15.802 44.030 -29.790 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -15.713 44.974 -29.922 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -16.441 43.755 -30.448 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -16.869 43.285 -26.371 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -16.907 42.639 -25.666 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -17.192 42.819 -27.142 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -18.480 45.718 -25.965 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -18.176 45.032 -26.559 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -17.758 45.836 -25.347 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -15.339 40.112 -25.637 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -15.196 39.165 -25.617 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -15.445 40.319 -26.566 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -22.184 38.213 -28.365 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -22.141 39.073 -28.783 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -22.642 37.661 -28.998 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -23.374 37.131 -24.291 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -23.593 37.661 -25.057 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -24.042 37.358 -23.643 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -23.780 39.023 -26.338 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -23.167 39.656 -25.965 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -23.268 38.551 -26.995 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -15.354 48.386 -25.136 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -15.595 49.048 -24.488 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -15.552 47.552 -24.711 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -18.020 48.567 -21.657 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -17.933 49.393 -21.182 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -18.884 48.237 -21.408 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -23.952 51.128 -30.070 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -23.800 50.780 -29.191 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -24.803 50.772 -30.325 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -22.079 35.340 -26.060 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -22.940 35.253 -26.468 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -22.101 36.196 -25.633 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -21.991 40.527 -30.053 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -22.884 40.186 -30.112 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -21.540 40.150 -30.809 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -16.455 40.943 -31.236 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -16.864 41.758 -31.528 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -15.735 40.803 -31.851 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -17.353 41.118 -19.748 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -17.916 40.414 -19.428 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -16.527 40.998 -19.281 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -15.451 40.389 -28.422 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -15.646 40.994 -29.137 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -15.269 39.555 -28.857 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -24.238 40.626 -23.098 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -24.276 41.026 -22.230 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -24.729 39.809 -23.008 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -20.872 38.000 -36.300 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -21.303 37.555 -35.570 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -21.590 38.372 -36.812 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -27.630 37.742 -29.248 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -26.999 37.713 -28.528 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -27.180 37.317 -29.978 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -16.187 42.027 -23.751 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -15.863 41.396 -24.394 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -16.627 41.492 -23.090 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -19.409 37.954 -28.967 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -20.320 38.011 -28.678 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -18.904 37.894 -28.156 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -20.928 39.583 -32.484 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -19.996 39.712 -32.306 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -21.143 40.253 -33.133 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -18.089 40.742 -27.080 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -17.525 40.195 -27.627 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -18.237 40.220 -26.291 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -23.087 36.878 -30.662 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -23.404 35.976 -30.697 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -22.306 36.880 -31.214 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -19.463 39.130 -24.666 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -20.298 39.584 -24.556 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -18.939 39.406 -23.914 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -18.919 45.343 -32.981 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -19.663 44.836 -33.304 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -19.053 45.392 -32.035 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.399 45.527 -21.744 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -17.745 45.146 -20.938 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -17.599 46.461 -21.673 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -19.769 42.616 -19.684 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -20.065 42.450 -20.579 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -18.838 42.396 -19.694 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -15.149 47.989 -21.794 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -16.050 48.172 -22.062 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -15.115 48.248 -20.873 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -21.419 48.156 -29.807 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -20.892 48.929 -30.008 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -22.299 48.381 -30.109 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -19.992 45.819 -30.231 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -20.233 46.744 -30.189 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.732 45.360 -29.835 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -21.308 50.841 -30.686 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -22.258 50.946 -30.634 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -20.957 51.661 -30.341 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -15.933 46.067 -24.215 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -16.359 45.840 -23.389 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -15.352 45.329 -24.398 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -25.152 37.852 -22.339 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -26.045 38.191 -22.406 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -25.251 36.997 -21.921 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -19.639 48.108 -36.694 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -19.400 47.360 -37.242 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -19.908 47.720 -35.862 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -20.702 47.678 -34.238 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -20.555 47.158 -33.448 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -20.705 48.585 -33.932 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -18.433 38.973 -31.517 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -17.621 39.477 -31.471 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.678 38.828 -30.603 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -17.897 39.959 -22.332 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -17.778 40.533 -21.575 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -17.242 39.271 -22.217 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -20.626 50.419 -33.507 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -20.465 51.219 -34.008 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -20.823 50.726 -32.622 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -21.892 37.117 -33.891 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -21.975 38.006 -33.545 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -21.002 36.852 -33.660 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -15.116 48.843 -19.202 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -15.467 47.987 -18.959 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -14.390 48.986 -18.595 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -22.042 45.698 -36.465 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -21.978 44.904 -35.934 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -21.389 45.579 -37.154 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -19.728 45.324 -19.164 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -20.056 45.595 -20.022 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -19.576 44.383 -19.252 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -20.893 43.670 -34.159 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -21.352 43.186 -33.473 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -20.638 43.002 -34.795 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -21.604 41.563 -21.803 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -22.222 42.238 -21.522 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -21.260 41.884 -22.636 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -19.822 41.913 -35.896 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -20.002 41.759 -36.824 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -18.871 42.021 -35.852 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -16.584 44.034 -18.525 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -15.631 44.118 -18.553 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -16.744 43.323 -17.906 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -21.264 38.918 -20.720 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.114 38.189 -21.323 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -21.262 39.695 -21.279 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -20.852 37.288 -23.228 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -20.316 37.739 -23.880 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -21.704 37.180 -23.650 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -19.270 42.727 -22.988 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -18.519 42.571 -23.561 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -19.609 43.579 -23.264 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -18.782 39.066 -19.233 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -19.018 38.846 -18.331 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -19.565 38.859 -19.742 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -14.432 36.827 -18.152 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -14.529 35.875 -18.158 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -14.754 37.096 -17.291 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -19.471 35.721 -18.071 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -19.602 35.245 -18.892 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -20.070 36.465 -18.127 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -27.707 52.633 -30.335 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -28.354 52.171 -30.868 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -27.352 51.961 -29.752 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -26.837 50.714 -28.530 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -27.171 49.833 -28.358 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -26.615 51.059 -27.666 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -27.159 39.060 -19.938 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -26.240 38.938 -19.702 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -27.609 38.310 -19.549 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -9.158 34.592 -18.061 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -8.808 33.938 -18.667 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -9.011 35.429 -18.501 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -25.938 37.372 -27.047 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.493 36.580 -26.745 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -25.472 38.088 -26.616 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -9.638 36.701 -19.712 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -10.555 36.972 -19.748 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -9.515 36.166 -20.496 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -27.321 36.629 -31.923 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -28.246 36.838 -32.053 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -26.867 37.113 -32.613 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -15.555 52.201 -20.973 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -14.878 51.569 -21.213 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -15.233 52.603 -20.165 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -17.631 52.261 -24.923 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -18.088 52.790 -25.577 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -17.468 52.864 -24.198 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -15.304 51.139 -23.978 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -16.208 51.304 -24.244 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -14.875 51.992 -24.044 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -25.394 51.396 -26.218 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -25.413 50.971 -25.361 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -24.589 51.078 -26.627 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -23.253 50.106 -27.563 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -23.472 49.190 -27.394 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -22.429 50.246 -27.097 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -20.716 50.576 -26.715 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -20.503 49.688 -27.002 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -20.651 50.542 -25.760 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -24.881 34.874 -29.748 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -25.658 34.640 -30.256 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -24.350 34.077 -29.740 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -26.044 34.672 -33.945 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -25.605 35.283 -34.536 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -26.678 35.210 -33.471 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -24.183 36.588 -35.502 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -23.692 35.958 -36.030 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -23.560 36.884 -34.839 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.923 35.388 -20.231 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -25.289 34.623 -19.788 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -24.010 35.417 -19.944 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -22.950 34.739 -18.695 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -22.051 34.465 -18.880 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -23.336 33.996 -18.231 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -24.325 51.540 -36.022 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -24.593 51.827 -35.149 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -23.554 50.994 -35.870 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -14.528 34.071 -18.513 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -14.452 33.645 -17.659 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -13.635 34.085 -18.855 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -15.802 44.030 -10.934 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -15.713 44.974 -11.066 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -16.441 43.755 -11.592 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -16.869 43.285 -7.515 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -16.907 42.639 -6.810 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -17.192 42.819 -8.286 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -14.462 38.344 -11.108 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -13.816 38.015 -10.483 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -13.952 38.862 -11.731 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -16.005 46.631 -11.891 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -16.301 46.309 -12.742 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -16.329 47.531 -11.849 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -17.081 43.274 -13.482 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.793 43.809 -13.833 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -16.390 43.330 -14.142 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -17.027 41.732 -16.443 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -16.326 41.754 -15.792 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -16.725 41.104 -17.099 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -9.712 42.652 -5.188 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -10.364 43.347 -5.099 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -9.247 42.862 -5.998 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -13.778 41.658 -3.462 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -13.698 42.421 -2.890 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -14.379 41.937 -4.153 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -20.663 47.542 -7.966 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -20.758 46.964 -8.723 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -19.934 47.171 -7.470 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -15.354 48.386 -6.280 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -15.595 49.048 -5.632 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -15.552 47.552 -5.855 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -20.783 47.282 -2.297 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -21.095 48.064 -1.841 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -21.433 47.129 -2.983 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -17.078 49.383 -11.410 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -16.604 49.678 -10.632 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -17.641 50.121 -11.643 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -18.020 48.567 -2.801 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -17.933 49.393 -2.326 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -18.884 48.237 -2.552 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -17.754 37.555 -16.545 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -18.008 37.574 -15.622 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -18.011 36.683 -16.846 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -16.455 40.943 -12.380 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -16.864 41.758 -12.672 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -15.735 40.803 -12.995 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -17.353 41.118 -0.892 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -17.916 40.414 -0.572 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -16.527 40.998 -0.425 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -20.872 38.000 -17.444 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -21.303 37.555 -16.714 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -21.590 38.372 -17.956 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -27.630 37.742 -10.392 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -26.999 37.713 -9.672 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -27.180 37.317 -11.122 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -26.355 38.488 -14.968 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -25.881 39.079 -15.553 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -27.073 39.019 -14.621 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -20.928 39.583 -13.628 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -19.996 39.712 -13.450 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -21.143 40.253 -14.277 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -23.087 36.878 -11.806 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -23.404 35.976 -11.841 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -22.306 36.880 -12.358 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -18.919 45.343 -14.125 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -19.663 44.836 -14.448 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -19.053 45.392 -13.179 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -11.769 44.476 -5.339 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -11.127 44.933 -5.882 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -12.599 44.589 -5.801 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -15.021 38.157 -15.926 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -15.959 38.269 -16.077 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -14.724 39.014 -15.620 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -17.399 45.527 -2.888 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -17.745 45.146 -2.082 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -17.599 46.461 -2.817 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -14.303 40.024 -14.265 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -13.411 39.887 -13.946 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -14.246 40.815 -14.802 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -15.149 47.989 -2.938 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -16.050 48.172 -3.206 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -15.115 48.248 -2.017 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -9.418 40.234 -14.571 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -9.972 39.838 -15.243 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -9.317 41.144 -14.848 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -13.962 43.828 -7.084 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -14.890 43.596 -7.111 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -13.511 43.051 -7.414 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -19.477 49.968 -5.060 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -19.114 50.823 -5.293 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -18.945 49.676 -4.319 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -21.308 50.841 -11.830 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -22.258 50.946 -11.778 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -20.957 51.661 -11.485 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -15.933 46.067 -5.359 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -16.359 45.840 -4.533 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -15.352 45.329 -5.542 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -19.639 48.108 -17.838 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -19.400 47.360 -18.386 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -19.908 47.720 -17.006 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -20.702 47.678 -15.382 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -20.555 47.158 -14.592 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -20.705 48.585 -15.076 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -15.633 37.245 -13.496 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -15.413 37.717 -14.299 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -15.075 37.640 -12.825 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -17.964 49.376 -14.633 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -18.781 49.873 -14.580 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -17.435 49.851 -15.273 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -18.433 38.973 -12.661 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -17.621 39.477 -12.615 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -18.678 38.828 -11.747 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -20.626 50.419 -14.651 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -20.465 51.219 -15.152 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -20.823 50.726 -13.766 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -21.892 37.117 -15.035 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -21.975 38.006 -14.689 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -21.002 36.852 -14.804 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -13.091 41.617 -8.545 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -13.888 41.202 -8.874 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -12.646 40.926 -8.054 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -21.693 50.463 0.925 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -20.925 50.004 1.266 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -21.714 50.237 -0.005 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -17.601 49.971 -17.700 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -18.245 49.340 -17.378 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -16.839 49.440 -17.932 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -19.728 45.324 -0.308 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -20.056 45.595 -1.166 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -19.576 44.383 -0.396 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -16.690 46.745 -17.873 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -16.958 46.925 -16.972 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -16.896 45.819 -18.004 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -13.993 45.240 -2.925 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -13.248 45.828 -3.045 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -14.750 45.822 -2.862 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -16.584 44.034 0.331 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -15.631 44.118 0.303 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -16.744 43.323 0.950 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -13.538 43.331 -1.026 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -13.819 44.040 -1.604 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -12.595 43.258 -1.177 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -19.924 52.604 -16.039 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -18.991 52.762 -15.895 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -20.188 53.279 -16.664 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -27.707 52.633 -11.479 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -28.354 52.171 -12.012 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -27.352 51.961 -10.896 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -9.579 43.190 -11.796 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -10.305 42.711 -11.398 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -8.998 43.396 -11.064 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -10.962 40.331 -16.854 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -10.865 40.998 -17.534 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -11.102 39.515 -17.336 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -11.792 41.711 -11.233 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -11.942 40.766 -11.253 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -12.146 41.992 -10.389 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -10.936 43.681 -1.594 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -10.353 42.947 -1.403 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -10.372 44.453 -1.548 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -9.439 41.584 -0.910 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -10.302 41.205 -1.075 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -8.835 40.845 -0.984 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -11.714 37.739 -17.737 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -11.104 37.367 -17.100 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -12.551 37.317 -17.541 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -12.082 39.294 -12.771 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -11.802 38.387 -12.646 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -11.323 39.728 -13.160 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -11.470 39.875 -7.335 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -10.537 40.087 -7.369 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -11.705 39.977 -6.412 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -9.602 36.624 -16.194 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -9.189 35.903 -16.670 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -8.920 37.294 -16.136 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -27.321 36.629 -13.067 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -28.246 36.838 -13.197 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -26.867 37.113 -13.757 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -17.900 50.916 -1.361 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -17.715 50.582 -0.483 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -17.053 51.225 -1.683 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -17.631 52.261 -6.067 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -18.088 52.790 -6.721 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -17.468 52.864 -5.342 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -20.716 50.576 -7.859 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -20.503 49.688 -8.146 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -20.651 50.542 -6.904 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -24.881 34.874 -10.892 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -25.658 34.640 -11.400 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -24.350 34.077 -10.884 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -26.044 34.672 -15.089 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -25.605 35.283 -15.680 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -26.678 35.210 -14.615 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -20.301 34.801 -11.079 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -19.427 35.189 -11.109 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -20.437 34.586 -10.156 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -26.143 50.620 -14.191 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -26.828 50.582 -14.859 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -26.140 51.533 -13.903 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -24.183 36.588 -16.646 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -23.692 35.958 -17.174 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -23.560 36.884 -15.983 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -19.157 36.881 -14.189 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -18.979 36.235 -13.506 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -19.211 37.715 -13.722 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -17.279 51.830 -15.794 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -16.413 52.196 -15.972 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -17.526 51.390 -16.607 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -26.967 41.010 6.862 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -27.415 41.856 6.844 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -27.528 40.430 6.347 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -26.257 43.172 8.988 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -26.043 42.402 9.515 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -25.519 43.261 8.385 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -22.184 38.213 9.347 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -22.141 39.073 8.929 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -22.642 37.661 8.714 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -14.462 38.344 7.748 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -13.816 38.015 8.373 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -13.952 38.862 7.125 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -25.564 40.610 10.109 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -24.910 40.060 10.541 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -25.540 40.336 9.193 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -12.698 37.635 9.729 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -12.913 36.869 10.261 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -12.042 38.107 10.242 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -23.780 39.023 11.374 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -23.167 39.656 11.747 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -23.268 38.551 10.717 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -26.276 46.442 5.278 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -26.548 46.671 4.389 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -26.231 47.280 5.738 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -12.351 36.350 13.408 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -13.087 36.961 13.370 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -11.667 36.765 12.882 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -17.081 43.274 5.374 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -17.793 43.809 5.023 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -16.390 43.330 4.714 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -17.027 41.732 2.413 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -16.326 41.754 3.064 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -16.725 41.104 1.757 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -13.675 43.484 6.326 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -14.407 43.712 6.899 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -13.228 42.770 6.781 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -22.030 44.114 8.209 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -22.360 43.744 7.390 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -21.442 43.444 8.555 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -14.804 42.646 4.011 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -14.225 42.796 4.758 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -14.390 43.117 3.288 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -17.416 35.062 15.026 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -16.996 34.647 15.779 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -18.349 34.884 15.143 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -13.327 43.679 1.641 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -13.285 43.456 0.711 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -12.478 44.077 1.831 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -17.754 37.555 2.311 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -18.008 37.574 3.234 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -18.011 36.683 2.010 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -21.988 40.306 12.747 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -22.630 40.265 13.456 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -21.951 41.232 12.509 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -21.991 40.527 7.659 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -22.884 40.186 7.600 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.540 40.150 6.903 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -16.455 40.943 6.476 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -16.864 41.758 6.184 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -15.735 40.803 5.861 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -15.451 40.389 9.290 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -15.646 40.994 8.575 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -15.269 39.555 8.855 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -24.238 40.626 14.614 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -24.276 41.026 15.482 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -24.729 39.809 14.704 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -27.630 37.742 8.464 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -26.999 37.713 9.184 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -27.180 37.317 7.734 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -19.409 37.954 8.745 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -20.320 38.011 9.034 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -18.904 37.894 9.556 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -24.581 39.583 7.572 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -25.470 39.683 7.232 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -24.285 38.741 7.226 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -20.928 39.583 5.228 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -19.996 39.712 5.406 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -21.143 40.253 4.579 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -15.004 37.189 12.009 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -15.681 37.320 12.673 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -15.490 37.034 11.199 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -19.463 39.130 13.046 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -20.298 39.584 13.156 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -18.939 39.406 13.798 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -18.919 45.343 4.731 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -19.663 44.836 4.408 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -19.053 45.392 5.677 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -19.992 45.819 7.481 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -20.233 46.744 7.523 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -20.732 45.360 7.877 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -25.152 37.852 15.373 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -26.045 38.191 15.306 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -25.251 36.997 15.791 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -19.639 48.108 1.018 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -19.400 47.360 0.470 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -19.908 47.720 1.850 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -20.702 47.678 3.474 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -20.555 47.158 4.264 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -20.705 48.585 3.780 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -16.417 37.593 14.263 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -15.719 37.667 14.913 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -16.798 36.729 14.418 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -18.433 38.973 6.195 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -17.621 39.477 6.241 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -18.678 38.828 7.109 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -17.549 36.054 7.133 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -17.896 36.672 7.778 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -16.891 36.555 6.652 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -21.892 37.117 3.821 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -21.975 38.006 4.167 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -21.002 36.852 4.052 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -23.633 47.545 2.881 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -23.041 48.244 3.157 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -23.174 47.112 2.162 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -25.579 48.931 6.831 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -26.411 49.404 6.858 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -25.033 49.441 6.232 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -16.690 46.745 0.983 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -16.958 46.925 1.884 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -16.896 45.819 0.852 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -19.822 41.913 1.816 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -20.002 41.759 0.888 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -18.871 42.021 1.860 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -10.432 44.268 1.261 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -10.705 43.843 0.448 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -10.392 45.199 1.044 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -21.264 38.918 16.992 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -21.114 38.189 16.389 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -21.262 39.695 16.433 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -20.852 37.288 14.484 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -20.316 37.739 13.832 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -21.704 37.180 14.062 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -19.824 34.038 17.587 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -19.112 33.398 17.573 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -19.925 34.305 16.673 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -19.471 35.721 19.641 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -19.602 35.245 18.820 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -20.070 36.465 19.585 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -26.356 47.240 2.300 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -25.442 47.319 2.573 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -26.349 46.553 1.633 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -9.973 45.137 5.236 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -9.123 45.558 5.364 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -9.968 44.397 5.844 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -9.579 43.190 7.060 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -10.305 42.711 7.458 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -8.998 43.396 7.792 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -9.311 43.091 3.451 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -9.832 43.448 2.732 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -9.344 43.766 4.129 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -11.792 41.711 7.623 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -11.942 40.766 7.603 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -12.146 41.992 8.467 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -25.938 37.372 10.665 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -25.493 36.580 10.967 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -25.472 38.088 11.096 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -27.321 36.629 5.789 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -28.246 36.838 5.659 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -26.867 37.113 5.099 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -27.357 35.367 14.133 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -28.022 35.121 14.776 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -27.800 35.989 13.556 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -17.207 36.240 10.142 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -17.882 35.611 10.397 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -16.643 35.756 9.539 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -12.065 34.347 10.254 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -11.461 34.895 9.753 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -12.934 34.667 10.014 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -10.338 35.486 8.588 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -9.726 34.972 8.061 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -9.955 36.364 8.611 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -24.183 36.588 2.210 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -23.692 35.958 1.682 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -23.560 36.884 2.873 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -19.157 36.881 4.667 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -18.979 36.235 5.350 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -19.211 37.715 5.134 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -24.923 35.388 17.481 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -25.289 34.623 17.924 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -24.010 35.417 17.768 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -22.950 34.739 19.017 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -22.051 34.465 18.832 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -23.336 33.996 19.481 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -24.325 51.540 1.690 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -24.593 51.827 2.563 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -23.554 50.994 1.842 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -14.528 34.071 19.199 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -14.452 33.645 20.053 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -13.635 34.085 18.857 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -24.923 54.244 -39.087 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -25.289 53.479 -38.644 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -24.010 54.273 -38.800 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -22.950 53.595 -37.551 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -22.051 53.321 -37.736 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -23.336 52.852 -37.087 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -23.374 55.987 -24.291 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -23.593 56.517 -25.057 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -24.042 56.214 -23.643 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -19.348 53.293 -26.838 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -19.465 52.344 -26.892 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -20.203 53.625 -26.565 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -22.079 54.196 -26.060 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -22.940 54.109 -26.468 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -22.101 55.052 -25.633 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -17.416 53.918 -22.686 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -16.996 53.503 -21.933 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -18.349 53.740 -22.569 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -24.238 59.482 -23.098 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -24.276 59.882 -22.230 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -24.729 58.665 -23.008 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -19.463 57.986 -24.666 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -20.298 58.440 -24.556 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -18.939 58.262 -23.914 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -25.152 56.708 -22.339 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -26.045 57.047 -22.406 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -25.251 55.853 -21.921 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -16.417 56.449 -23.449 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -15.719 56.523 -22.799 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -16.798 55.585 -23.294 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -24.509 53.847 -27.042 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -24.738 53.906 -27.969 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -24.952 53.055 -26.735 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -21.264 57.774 -20.720 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -21.114 57.045 -21.323 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -21.262 58.551 -21.279 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -20.852 56.144 -23.228 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -20.316 56.595 -23.880 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -21.704 56.036 -23.650 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -22.786 58.972 -18.809 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -23.553 58.440 -19.019 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -22.107 58.662 -19.408 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -18.782 57.922 -19.233 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -19.018 57.702 -18.331 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -19.565 57.715 -19.742 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -16.066 57.049 -20.157 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -17.014 57.081 -20.025 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -15.754 56.424 -19.503 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -24.605 56.893 -19.104 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -24.394 56.186 -19.715 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -24.717 56.455 -18.260 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -19.471 54.577 -18.071 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -19.602 54.101 -18.892 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -20.070 55.321 -18.127 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -27.159 57.916 -19.938 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -26.240 57.794 -19.702 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -27.609 57.166 -19.549 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -27.321 55.485 -31.923 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -28.246 55.694 -32.053 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -26.867 55.969 -32.613 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -27.357 54.223 -23.579 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -28.022 53.977 -22.936 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -27.800 54.845 -24.156 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -24.881 53.730 -29.748 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -25.658 53.496 -30.256 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -24.350 52.933 -29.740 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -26.044 53.528 -33.945 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -25.605 54.139 -34.536 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -26.678 54.066 -33.471 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -24.183 55.444 -35.502 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -23.692 54.814 -36.030 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -23.560 55.740 -34.839 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -14.528 52.927 -18.513 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -14.452 52.501 -17.659 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -13.635 52.941 -18.855 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -23.374 55.987 -5.435 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -23.593 56.517 -6.201 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -24.042 56.214 -4.787 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -19.348 53.293 -7.982 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.465 52.344 -8.036 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -20.203 53.625 -7.709 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -22.079 54.196 -7.204 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -22.940 54.109 -7.612 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -22.101 55.052 -6.777 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -17.754 56.411 -16.545 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -18.008 56.430 -15.622 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -18.011 55.539 -16.846 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -20.872 56.856 -17.444 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -21.303 56.411 -16.714 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -21.590 57.228 -17.956 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -26.355 57.344 -14.968 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -25.881 57.935 -15.553 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -27.073 57.875 -14.621 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -25.152 56.708 -3.483 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -26.045 57.047 -3.550 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -25.251 55.853 -3.065 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -21.892 55.973 -15.035 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -21.975 56.862 -14.689 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -21.002 55.708 -14.804 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -25.317 59.065 -16.859 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -25.362 60.004 -16.680 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -26.205 58.829 -17.129 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -24.509 53.847 -8.186 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -24.738 53.906 -9.113 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -24.952 53.055 -7.879 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -20.852 56.144 -4.372 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -20.316 56.595 -5.024 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -21.704 56.036 -4.794 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -20.046 53.600 -3.940 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -20.144 54.547 -4.046 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -20.789 53.228 -4.416 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -19.824 52.894 -1.269 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -19.112 52.254 -1.283 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -19.925 53.161 -2.183 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -25.938 56.228 -8.191 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -25.493 55.436 -7.889 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -25.472 56.944 -7.760 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -27.357 54.223 -4.723 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -28.022 53.977 -4.080 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -27.800 54.845 -5.300 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -24.881 53.730 -10.892 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -25.658 53.496 -11.400 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -24.350 52.933 -10.884 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -26.044 53.528 -15.089 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -25.605 54.139 -15.680 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -26.678 54.066 -14.615 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -20.301 53.657 -11.079 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -19.427 54.045 -11.109 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -20.437 53.442 -10.156 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -24.183 55.444 -16.646 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -23.692 54.814 -17.174 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -23.560 55.740 -15.983 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -19.157 55.737 -14.189 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -18.979 55.091 -13.506 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -19.211 56.571 -13.722 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -24.923 54.244 -1.375 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -25.289 53.479 -0.932 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -24.010 54.273 -1.088 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -22.950 53.595 0.161 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -22.051 53.321 -0.024 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -23.336 52.852 0.625 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 5.693 -10.344 9.643 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 5.252 -11.064 10.093 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 5.680 -9.623 10.273 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 2.804 -5.239 9.855 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 3.424 -5.916 9.582 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 2.596 -5.457 10.763 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 9.431 -17.771 14.844 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 8.742 -17.113 14.749 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 9.446 -17.968 15.781 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 4.457 -6.723 8.616 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 4.882 -7.430 8.131 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 4.774 -5.922 8.199 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 5.616 -8.822 7.125 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 5.359 -9.512 6.513 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 5.687 -9.265 7.970 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 9.144 -13.916 13.668 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 8.492 -13.221 13.757 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 9.609 -13.706 12.858 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 5.078 -14.910 15.394 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 5.158 -14.147 15.966 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 4.477 -14.631 14.703 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 3.502 -8.182 12.576 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 3.261 -7.520 13.224 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 3.304 -9.016 13.001 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -1.927 -9.286 16.559 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -2.239 -8.504 17.015 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -2.577 -9.439 15.873 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -3.688 -7.214 17.323 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.680 -7.350 16.375 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -4.604 -7.332 17.575 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 0.836 -8.001 16.055 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 0.923 -7.175 16.530 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -0.028 -8.331 16.304 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 7.009 -16.082 17.659 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 6.602 -15.601 16.939 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 7.050 -16.987 17.352 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 7.087 -12.092 13.517 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 7.729 -11.635 12.974 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 6.257 -11.979 13.055 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 1.457 -11.041 15.968 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 1.111 -11.422 16.774 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 1.257 -10.107 16.039 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 3.707 -8.579 15.918 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 2.806 -8.396 15.650 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 3.741 -8.320 16.839 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 4.894 -12.740 11.772 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 3.966 -12.972 11.745 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 5.345 -13.517 11.442 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -0.621 -6.600 13.796 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -0.258 -5.745 13.563 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -0.089 -6.892 14.537 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 2.923 -10.501 13.497 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 2.497 -10.728 14.323 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 3.504 -11.239 13.314 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -7.434 -5.024 18.161 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -6.894 -5.241 18.920 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -7.915 -5.830 17.971 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -0.872 -11.244 18.548 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -1.200 -10.973 17.690 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -0.720 -12.185 18.460 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 4.863 -11.328 15.931 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 5.608 -10.740 15.811 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 4.106 -10.746 15.994 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 2.272 -12.534 19.187 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 3.225 -12.450 19.159 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 2.112 -13.245 19.806 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 5.318 -13.237 17.830 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 5.037 -12.528 17.252 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 6.261 -13.310 17.679 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 9.036 -10.593 12.008 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 9.870 -10.971 11.727 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 9.148 -9.650 11.889 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 9.417 -14.984 17.946 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 8.554 -15.363 17.781 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 10.021 -15.723 17.872 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 7.415 -15.956 14.297 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 6.572 -15.688 14.663 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 7.858 -15.134 14.086 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 6.306 -4.955 7.734 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 6.959 -5.302 7.126 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 6.817 -4.466 8.380 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -6.309 -8.026 18.277 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -7.130 -7.851 17.817 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -6.561 -8.099 19.198 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -3.355 -7.051 14.536 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -3.780 -6.242 14.253 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -2.450 -6.966 14.234 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -5.953 -3.795 14.583 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -6.673 -3.355 14.132 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -6.319 -4.046 15.432 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -3.486 -4.195 13.613 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -4.351 -4.123 14.017 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -3.541 -3.648 12.829 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 1.225 -4.307 12.789 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 0.768 -3.778 12.135 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 1.388 -3.704 13.514 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 3.552 -5.429 13.734 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 2.648 -5.264 13.468 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 3.981 -4.576 13.668 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 8.286 -5.175 5.742 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 8.092 -5.923 5.177 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 8.247 -4.417 5.158 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 2.851 -9.937 25.821 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 2.555 -10.259 24.970 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 2.527 -9.037 25.863 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 4.457 -6.723 27.472 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 4.882 -7.430 26.987 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 4.774 -5.922 27.055 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 5.616 -8.822 25.981 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 5.359 -9.512 25.369 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 5.687 -9.265 26.826 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 5.181 -13.084 25.182 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 4.449 -12.856 25.755 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 5.628 -13.798 25.637 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 1.778 -7.185 26.302 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 2.252 -6.890 27.080 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 1.215 -6.447 26.069 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 1.250 -4.229 24.717 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 1.175 -4.350 23.771 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 1.283 -3.279 24.836 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -5.096 -5.440 26.498 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.944 -5.788 27.377 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.947 -5.796 26.243 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 4.021 -5.149 24.469 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 3.086 -5.049 24.648 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 4.301 -5.858 25.047 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 5.529 -12.889 20.497 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 5.571 -13.112 19.567 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 6.378 -12.491 20.687 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -0.063 -11.225 23.587 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -0.807 -11.732 23.264 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -0.197 -11.176 24.533 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 2.063 -9.766 22.612 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 1.768 -8.940 22.994 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 1.360 -10.386 22.808 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 9.438 -16.334 23.141 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 8.884 -16.730 22.469 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 9.539 -15.424 22.864 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -2.563 -8.412 26.761 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -2.036 -7.639 26.560 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -3.443 -8.187 26.459 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -1.136 -10.749 26.337 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -1.377 -9.824 26.379 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -1.876 -11.208 26.733 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -2.452 -5.727 25.882 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -3.402 -5.622 25.934 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -2.101 -4.907 26.227 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 5.126 -9.572 21.427 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 5.479 -9.952 22.231 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 4.177 -9.665 21.513 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 5.992 -10.899 23.653 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 5.715 -11.627 24.209 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 6.919 -10.780 23.859 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -1.846 -8.890 22.330 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -1.699 -9.410 23.120 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -1.849 -7.983 22.636 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -4.777 -9.023 21.737 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -4.185 -8.324 22.013 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -4.318 -9.456 21.018 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -3.186 -10.870 20.103 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -3.122 -11.664 20.634 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -2.533 -10.989 19.414 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -2.037 -12.898 22.409 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -2.496 -13.382 23.095 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -1.782 -13.566 21.773 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -8.851 -3.935 26.233 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -9.498 -4.397 25.700 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -8.496 -4.607 26.816 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 9.277 -13.378 25.916 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 8.551 -13.857 26.314 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 9.858 -13.172 26.648 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 7.894 -16.237 20.858 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 7.991 -15.570 20.178 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 7.754 -17.053 20.376 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 7.064 -14.857 26.479 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 6.914 -15.802 26.459 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 6.710 -14.576 27.323 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 6.306 -4.955 26.590 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 6.959 -5.302 25.982 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 6.817 -4.466 27.236 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -7.287 -5.948 23.521 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -7.972 -5.986 22.853 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -7.284 -5.035 23.809 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -5.469 -5.028 20.546 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -5.737 -4.741 21.419 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -4.698 -5.574 20.698 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -3.688 11.642 -1.533 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -3.680 11.506 -2.481 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -4.604 11.524 -1.281 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -8.340 10.615 -7.359 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.394 10.471 -7.378 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -8.453 11.399 -6.822 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -6.645 11.945 -5.048 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -6.428 11.013 -5.079 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -6.398 12.219 -4.164 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -2.837 12.751 0.925 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -2.069 12.292 1.266 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -2.858 12.525 -0.005 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -8.851 14.921 -11.479 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -9.498 14.459 -12.012 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -8.496 14.249 -10.896 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -7.981 13.002 -9.674 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -8.315 12.121 -9.502 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -7.759 13.347 -8.810 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.309 10.830 -0.579 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -7.130 11.005 -1.039 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -6.561 10.757 0.342 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -3.355 11.805 -4.320 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -3.780 12.614 -4.603 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -2.450 11.890 -4.622 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -5.953 15.061 -4.273 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -6.673 15.501 -4.724 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.319 14.810 -3.424 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -3.486 14.661 -5.243 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -4.351 14.733 -4.839 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -3.541 15.208 -6.027 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -6.538 13.684 -7.362 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -6.557 13.259 -6.505 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -5.733 13.366 -7.771 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 1.987 5.573 11.341 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 1.949 4.927 12.046 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 1.664 5.107 10.570 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -4.721 9.638 11.469 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -5.091 8.836 11.100 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -3.780 9.469 11.516 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -7.401 5.460 8.988 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.187 4.690 9.515 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -6.663 5.549 8.385 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 0.376 8.006 11.747 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 0.680 7.320 11.153 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 1.098 8.124 12.365 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 9.039 -0.393 12.608 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 9.088 0.217 13.344 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 9.465 0.068 11.885 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 3.517 2.400 12.075 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 3.660 1.453 12.095 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 3.411 2.607 11.146 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -6.708 2.898 10.109 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -6.054 2.348 10.541 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -6.684 2.624 9.193 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 9.431 1.085 14.844 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 8.742 1.743 14.749 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 9.446 0.888 15.781 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -4.518 -0.581 13.421 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -4.737 -0.051 12.655 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -5.186 -0.354 14.069 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -1.949 7.095 13.709 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -2.689 7.693 13.812 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -1.235 7.649 13.393 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.924 1.311 11.374 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.311 1.944 11.747 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.412 0.839 10.717 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -3.541 9.059 14.496 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -3.547 9.938 14.118 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -4.395 8.976 14.921 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 6.505 -1.362 13.408 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 5.769 -0.751 13.370 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 7.189 -0.947 12.882 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 7.302 8.600 15.602 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 7.442 8.009 14.863 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 7.470 9.473 15.246 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 9.144 4.940 13.668 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 8.492 5.635 13.757 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 9.609 5.150 12.858 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -2.807 5.171 11.842 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -2.242 5.292 11.079 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -2.488 5.808 12.481 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -8.340 10.615 11.497 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -7.394 10.471 11.478 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -8.453 11.399 12.034 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 0.836 10.855 16.055 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 0.923 11.681 16.530 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -0.028 10.525 16.304 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -3.223 -2.372 11.652 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -4.084 -2.459 11.244 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -3.245 -1.516 12.079 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -3.132 2.594 12.747 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -3.774 2.553 13.456 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -3.095 3.520 12.509 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 2.669 4.315 13.961 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 2.993 3.684 13.318 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 2.229 3.780 14.622 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 3.852 -0.523 12.009 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 3.175 -0.392 12.673 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 3.366 -0.678 11.199 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 0.767 3.030 10.632 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 1.331 2.483 10.085 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 0.619 2.508 11.421 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -0.607 1.418 13.046 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -1.442 1.872 13.156 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -0.083 1.694 13.798 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 7.087 6.764 13.517 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 7.729 7.221 12.974 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 6.257 6.877 13.055 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 1.457 7.815 15.968 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 1.111 7.434 16.774 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 1.257 8.749 16.039 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -4.938 6.926 10.500 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -4.193 6.924 9.899 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -4.860 6.102 10.982 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 3.707 10.277 15.918 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 2.806 10.460 15.650 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 3.741 10.536 16.839 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 9.402 8.322 17.122 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 8.550 8.560 16.755 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 9.992 8.305 16.369 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 4.894 6.116 11.772 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 3.966 5.884 11.745 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 5.345 5.339 11.442 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -0.621 12.256 13.796 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -0.258 13.111 13.563 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -0.089 11.964 14.537 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 2.923 8.355 13.497 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 2.497 8.128 14.323 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 3.504 7.617 13.314 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -6.296 0.140 15.373 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -7.189 0.479 15.306 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -6.395 -0.715 15.791 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -6.645 11.945 13.808 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -6.428 11.013 13.777 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -6.398 12.219 14.692 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 2.439 -0.119 14.263 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 3.137 -0.045 14.913 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 2.058 -0.983 14.418 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 5.765 3.905 10.311 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 4.968 3.490 9.982 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 6.210 3.214 10.802 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 3.740 11.131 18.510 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 3.389 10.275 18.753 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 4.466 11.274 19.117 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 4.863 7.528 15.931 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 5.608 8.116 15.811 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 4.106 8.110 15.994 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -1.996 -0.424 14.484 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -1.460 0.027 13.832 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -2.848 -0.532 14.062 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -0.414 5.015 14.724 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 0.337 4.859 14.151 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -0.753 5.867 14.448 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -1.190 -2.968 14.916 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -1.288 -2.021 14.810 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -1.933 -3.340 14.440 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -1.068 14.892 2.817 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -0.135 15.050 2.961 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.332 15.567 2.192 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -7.500 9.528 2.300 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -6.586 9.607 2.573 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -7.493 8.841 1.633 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -8.851 14.921 7.377 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -9.498 14.459 6.844 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -8.496 14.249 7.960 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 7.582 9.168 19.722 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 6.716 9.063 20.116 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 7.958 9.927 20.169 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -7.901 6.077 11.633 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -7.717 5.995 10.698 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -7.052 5.953 12.057 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 7.920 5.969 17.262 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 8.503 5.235 17.453 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 8.484 6.741 17.308 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 9.417 3.872 17.946 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 8.554 3.493 17.781 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 10.021 3.133 17.872 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 7.386 2.163 11.521 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 8.319 2.375 11.487 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 7.151 2.265 12.444 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 7.415 2.900 14.297 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 6.572 3.168 14.663 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 7.858 3.722 14.086 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -7.082 -0.340 10.665 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -6.637 -1.132 10.967 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -6.616 0.376 11.096 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -8.778 2.659 11.734 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -8.286 2.438 10.944 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -8.416 3.500 12.015 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -8.501 -2.345 14.133 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -9.166 -2.591 14.776 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -8.944 -1.723 13.556 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -3.355 11.805 14.536 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -3.780 12.614 14.253 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -2.450 11.890 14.234 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 0.956 13.204 17.495 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 1.141 12.870 18.373 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 1.803 13.513 17.173 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -5.953 15.061 14.583 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -6.673 15.501 14.132 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -6.319 14.810 15.432 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -3.486 14.661 13.613 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.351 14.733 14.017 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -3.541 15.208 12.829 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 6.791 -3.365 10.254 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 7.395 -2.817 9.753 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 5.922 -3.045 10.014 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 8.518 -2.226 8.588 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 9.130 -2.740 8.061 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 8.901 -1.348 8.611 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 4.112 -2.881 9.426 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 4.188 -2.786 8.477 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 3.836 -3.789 9.555 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -7.287 12.908 4.665 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -7.972 12.870 3.997 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -7.284 13.821 4.953 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -6.067 -2.324 17.481 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -6.433 -3.089 17.924 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.154 -2.295 17.768 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -5.469 13.828 1.690 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -5.737 14.115 2.563 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -4.698 13.282 1.842 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 3.054 6.318 26.778 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 3.143 7.262 26.646 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 2.415 6.043 26.120 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -4.721 9.638 30.325 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -5.091 8.836 29.956 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -3.780 9.469 30.372 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -8.111 3.298 25.718 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -8.559 4.144 25.700 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -8.672 2.718 25.203 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -7.401 5.460 27.844 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -7.187 4.690 28.371 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -6.663 5.549 27.241 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -3.328 0.501 28.203 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -3.285 1.361 27.785 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -3.786 -0.051 27.570 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 4.394 0.632 26.604 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 5.040 0.303 27.229 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 4.904 1.150 25.981 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -6.708 2.898 28.965 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -6.054 2.348 29.397 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -6.684 2.624 28.049 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.552 4.448 28.181 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -0.936 3.922 28.690 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -2.138 3.808 27.777 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 2.851 8.919 25.821 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 2.555 8.597 24.970 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 2.527 9.819 25.863 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 1.775 5.562 24.230 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 1.063 6.097 23.879 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 2.466 5.618 23.570 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 5.181 5.772 25.182 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 4.449 6.000 25.755 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 5.628 5.058 25.637 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -3.174 6.402 27.065 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -3.504 6.032 26.246 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -2.586 5.732 27.411 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -1.807 9.830 29.746 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -1.902 9.252 28.989 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -1.078 9.459 30.242 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 4.052 4.934 22.867 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 4.631 5.084 23.614 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 4.466 5.405 22.144 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 1.778 11.671 26.302 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 2.252 11.966 27.080 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 1.215 12.409 26.069 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -8.091 7.835 33.469 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -8.592 7.807 32.654 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -8.085 6.929 33.779 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -8.340 10.615 30.353 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -7.394 10.471 30.334 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -8.453 11.399 30.890 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 1.250 14.627 24.717 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 1.175 14.506 23.771 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 1.283 15.577 24.836 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -5.096 13.416 26.498 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -4.944 13.068 27.377 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -5.947 13.060 26.243 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 5.529 5.967 20.497 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 5.571 5.744 19.567 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 6.378 6.365 20.687 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -3.135 2.815 26.515 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -4.028 2.474 26.456 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -2.684 2.438 25.759 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 2.401 3.231 25.332 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 1.992 4.046 25.040 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 3.121 3.091 24.717 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 3.405 2.677 28.146 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 3.210 3.282 27.431 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 3.587 1.843 27.711 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -8.774 0.030 27.320 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -8.143 0.001 28.040 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -8.324 -0.395 26.590 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -7.499 0.776 22.744 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -7.025 1.367 22.159 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -8.217 1.307 23.091 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -0.553 0.242 27.601 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -1.464 0.299 27.890 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -0.048 0.182 28.412 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -5.725 1.871 26.428 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -6.614 1.971 26.088 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -5.429 1.029 26.082 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -4.938 6.926 29.356 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -4.193 6.924 28.755 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -4.860 6.102 29.838 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 9.438 2.522 23.141 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 8.884 2.126 22.469 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 9.539 3.432 22.864 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -2.563 10.444 26.761 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -2.036 11.217 26.560 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -3.443 10.669 26.459 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -1.136 8.107 26.337 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -1.377 9.032 26.379 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -1.876 7.648 26.733 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -2.452 13.129 25.882 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -3.402 13.234 25.934 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -2.101 13.949 26.227 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 5.126 9.284 21.427 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 5.479 8.904 22.231 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 4.177 9.191 21.513 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 5.992 7.957 23.653 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 5.715 7.229 24.209 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 6.919 8.076 23.859 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -6.645 11.945 32.664 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -6.428 11.013 32.633 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -6.398 12.219 33.548 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 0.892 11.664 23.079 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 0.075 12.161 23.132 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 1.421 12.139 22.439 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 0.423 1.261 25.051 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 1.235 1.765 25.097 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 0.178 1.116 25.965 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 1.307 -1.658 25.989 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 0.960 -1.040 26.634 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 1.965 -1.157 25.508 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -1.770 12.707 23.061 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -1.609 13.507 22.560 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -1.967 13.014 23.946 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -5.653 -2.721 29.526 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -5.882 -2.662 28.599 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -6.096 -3.513 29.833 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 1.255 12.259 20.012 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 0.611 11.628 20.334 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 2.017 11.728 19.780 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 8.424 6.556 20.117 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 8.151 6.131 19.304 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 8.464 7.487 19.900 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -1.068 14.892 21.673 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -0.135 15.050 21.817 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -1.332 15.567 21.048 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 9.545 5.379 22.307 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 9.024 5.736 21.588 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 9.512 6.054 22.985 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 7.894 2.619 20.858 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 7.991 3.286 20.178 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 7.754 1.803 20.376 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 7.064 3.999 26.479 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 6.914 3.054 26.459 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 6.710 4.280 27.323 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -7.901 6.077 30.489 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -7.717 5.995 29.554 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -7.052 5.953 30.913 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 6.774 1.582 24.941 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 7.054 0.675 25.066 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 7.533 2.016 24.552 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 7.388 -1.155 24.990 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 7.570 -1.604 25.815 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 6.788 -1.740 24.526 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -7.082 -0.340 29.521 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -6.637 -1.132 29.823 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -6.616 0.376 29.952 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -8.465 -1.083 24.645 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -9.390 -0.874 24.515 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -8.011 -0.599 23.955 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.538 13.684 30.350 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -6.557 13.259 31.207 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -5.733 13.366 29.941 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -4.397 12.394 29.005 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -4.616 11.478 29.174 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -3.573 12.534 29.471 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 6.791 -3.365 29.110 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 7.395 -2.817 28.609 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 5.922 -3.045 28.870 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 8.518 -2.226 27.444 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 9.130 -2.740 26.917 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 8.901 -1.348 27.467 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -6.025 -2.838 26.820 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -6.802 -3.072 26.312 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -5.494 -3.635 26.828 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -7.188 -3.040 22.623 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -6.749 -2.429 22.032 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -7.822 -2.502 23.097 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -1.445 -2.911 26.633 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -0.571 -2.523 26.603 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -1.581 -3.126 27.556 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 4.112 -2.881 28.282 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 4.188 -2.786 27.333 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 3.836 -3.789 28.411 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 1.577 14.118 21.918 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 2.443 14.484 21.740 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 1.330 13.678 21.105 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -3.688 30.498 -20.389 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -3.680 30.362 -21.337 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -4.604 30.380 -20.137 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -7.434 32.688 -19.551 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -6.894 32.471 -18.792 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -7.915 31.882 -19.741 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -2.837 31.607 -17.931 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -2.069 31.148 -17.590 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -2.858 31.381 -18.861 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -7.527 26.498 -18.597 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -7.383 25.596 -18.883 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -8.300 26.784 -19.085 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -6.309 29.686 -19.435 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -7.130 29.861 -19.895 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -6.561 29.613 -18.514 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 3.054 25.174 -10.934 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 3.143 26.118 -11.066 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 2.415 24.899 -11.592 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 1.987 24.429 -7.515 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 1.949 23.783 -6.810 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 1.664 23.963 -8.286 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 5.693 27.368 -9.213 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 5.252 26.648 -8.763 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 5.680 28.089 -8.583 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 2.804 32.473 -9.001 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 3.424 31.796 -9.274 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 2.596 32.255 -8.093 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -3.328 19.357 -9.509 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -3.285 20.217 -9.927 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -3.786 18.805 -10.142 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -1.552 23.304 -9.531 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -0.936 22.778 -9.022 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -2.138 22.664 -9.935 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 2.851 27.775 -11.891 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 2.555 27.453 -12.742 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 2.527 28.675 -11.849 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 6.205 29.208 -6.865 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 5.263 29.266 -6.704 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 6.481 30.114 -7.002 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -0.492 15.581 -7.982 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -0.609 14.632 -8.036 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -1.347 15.913 -7.709 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 4.457 30.989 -10.240 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 4.882 30.282 -10.725 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 4.774 31.790 -10.657 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 1.775 24.418 -13.482 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 1.063 24.953 -13.833 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 2.466 24.474 -14.142 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 3.502 29.530 -6.280 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 3.261 30.192 -5.632 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 3.304 28.696 -5.855 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 1.778 30.527 -11.410 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 2.252 30.822 -10.632 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 1.215 31.265 -11.643 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 1.250 33.483 -12.995 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 1.175 33.362 -13.941 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 1.283 34.433 -12.876 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.223 16.484 -7.204 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.084 16.397 -7.612 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.245 17.340 -6.777 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 1.440 16.206 -3.830 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 1.860 15.791 -3.077 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 0.507 16.028 -3.713 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -3.135 21.671 -11.197 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -4.028 21.330 -11.256 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -2.684 21.294 -11.953 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 2.401 22.087 -12.380 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 1.992 22.902 -12.672 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 3.121 21.947 -12.995 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 1.503 22.262 -0.892 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 0.940 21.558 -0.572 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 2.329 22.142 -0.425 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -7.499 19.632 -14.968 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -7.025 20.223 -15.553 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -8.217 20.163 -14.621 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 2.669 23.171 -4.895 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 2.993 22.540 -5.538 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 2.229 22.636 -4.234 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -0.553 19.098 -10.111 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -1.464 19.155 -9.822 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -0.048 19.038 -9.300 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -2.072 20.727 -13.628 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -1.140 20.856 -13.450 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -2.287 21.397 -14.277 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -3.398 21.922 -16.061 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -3.940 21.542 -16.752 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -2.564 22.116 -16.490 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 0.767 21.886 -8.224 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 1.331 21.339 -8.771 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 0.619 21.364 -7.435 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -4.231 18.022 -11.806 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -4.548 17.120 -11.841 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -3.450 18.024 -12.358 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -0.607 20.274 -5.810 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -1.442 20.728 -5.700 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -0.083 20.550 -5.058 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -0.063 26.487 -14.125 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -0.807 25.980 -14.448 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -0.197 26.536 -13.179 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 2.063 27.946 -15.100 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 1.768 28.772 -14.718 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 1.360 27.326 -14.904 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -0.913 23.760 -0.828 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -1.209 23.594 -1.723 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 0.018 23.540 -0.838 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 3.707 29.133 -2.938 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 2.806 29.316 -3.206 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 3.741 29.392 -2.017 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 4.894 24.972 -7.084 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 3.966 24.740 -7.111 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 5.345 24.195 -7.414 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -6.808 24.162 -16.364 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -6.192 24.789 -15.985 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -7.670 24.478 -16.093 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -0.783 29.252 -17.838 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -0.544 28.504 -18.386 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -1.052 28.864 -17.006 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -1.846 28.822 -15.382 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -1.699 28.302 -14.592 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -1.849 29.729 -15.076 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 2.439 18.737 -4.593 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 3.137 18.811 -3.943 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 2.058 17.873 -4.438 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 0.892 30.520 -14.633 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 0.075 31.017 -14.580 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 1.421 30.995 -15.273 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 0.423 20.117 -12.661 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 1.235 20.621 -12.615 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 0.178 19.972 -11.747 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 0.959 21.103 -3.476 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 1.078 21.677 -2.719 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 1.614 20.415 -3.361 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -1.770 31.563 -14.651 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -1.609 32.363 -15.152 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -1.967 31.870 -13.766 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.777 28.689 -15.975 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -4.185 29.388 -15.699 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.318 28.256 -16.694 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -6.461 21.353 -16.859 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -6.506 22.292 -16.680 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -7.349 21.117 -17.129 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -5.653 16.135 -8.186 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -5.882 16.194 -9.113 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -6.096 15.343 -7.879 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -2.837 31.607 0.925 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -2.069 31.148 1.266 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -2.858 31.381 -0.005 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 3.740 29.987 -0.346 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 3.389 29.131 -0.103 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 4.466 30.130 0.261 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -3.186 26.842 -17.609 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -3.122 26.048 -17.078 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -2.533 26.723 -18.298 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -0.872 26.468 -0.308 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -1.200 26.739 -1.166 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -0.720 25.527 -0.396 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 4.863 26.384 -2.925 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 5.608 26.972 -3.045 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 4.106 26.966 -2.862 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -2.037 24.814 -15.303 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -2.496 24.330 -14.617 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -1.782 24.146 -15.939 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -0.966 23.057 -17.040 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -1.146 22.903 -17.968 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -0.015 23.165 -16.996 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 2.272 25.178 0.331 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 3.225 25.262 0.303 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 2.112 24.467 0.950 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -1.190 15.888 -3.940 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -1.288 16.835 -4.046 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -1.933 15.516 -4.416 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 0.074 20.210 -0.377 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.162 19.990 0.525 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -0.709 20.003 -0.886 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -0.968 15.182 -1.269 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -0.256 14.542 -1.283 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -1.069 15.449 -2.183 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -0.615 16.865 0.785 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -0.746 16.389 -0.036 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -1.214 17.609 0.729 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -1.068 33.748 -16.039 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -0.135 33.906 -15.895 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -1.332 34.423 -16.664 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -7.500 28.384 -16.556 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -6.586 28.463 -16.283 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -7.493 27.697 -17.223 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -8.465 17.773 -13.067 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -9.390 17.982 -13.197 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -8.011 18.257 -13.757 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 0.956 32.060 -1.361 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 1.141 31.726 -0.483 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 1.803 32.369 -1.683 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 3.301 33.345 -2.117 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 3.978 32.713 -2.357 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 3.623 33.747 -1.309 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 1.225 33.405 -6.067 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 0.768 33.934 -6.721 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 1.388 34.008 -5.342 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 3.552 32.283 -5.122 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 2.648 32.448 -5.388 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 3.981 33.136 -5.188 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -6.025 16.018 -10.892 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -6.802 15.784 -11.400 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -5.494 15.221 -10.884 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 1.577 32.974 -15.794 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 2.443 33.340 -15.972 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 1.330 32.534 -16.607 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -4.094 15.883 0.161 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -3.195 15.609 -0.024 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -4.480 15.140 0.625 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -6.708 21.754 10.109 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -6.054 21.204 10.541 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -6.684 21.480 9.193 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 1.775 24.418 5.374 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 1.063 24.953 5.023 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 2.466 24.474 4.714 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 1.829 22.876 2.413 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 2.530 22.898 3.064 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 2.131 22.248 1.757 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -3.174 25.258 8.209 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -3.504 24.888 7.390 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -2.586 24.588 8.555 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -4.184 24.328 5.798 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -4.476 25.096 5.307 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -4.858 23.668 5.635 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -8.091 26.691 14.613 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -8.592 26.663 13.798 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -8.085 25.785 14.923 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -8.340 29.471 11.497 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -7.394 29.327 11.478 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -8.453 30.255 12.034 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -5.096 32.272 7.642 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -4.944 31.924 8.521 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -5.947 31.916 7.387 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -3.135 21.671 7.659 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -4.028 21.330 7.600 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -2.684 21.294 6.903 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -2.016 19.144 1.412 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -2.447 18.699 2.142 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -2.734 19.516 0.900 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -8.774 18.886 8.464 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -8.143 18.857 9.184 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -8.324 18.461 7.734 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -5.725 20.727 7.572 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -6.614 20.827 7.232 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -5.429 19.885 7.226 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -2.072 20.727 5.228 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -1.140 20.856 5.406 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -2.287 21.397 4.579 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -4.231 18.022 7.050 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -4.548 17.120 7.015 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -3.450 18.024 6.498 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -0.063 26.487 4.731 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -0.807 25.980 4.408 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -0.197 26.536 5.677 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -4.938 25.782 10.500 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -4.193 25.780 9.899 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -4.860 24.958 10.982 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -2.563 29.300 7.905 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -2.036 30.073 7.704 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -3.443 29.525 7.603 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -1.136 26.963 7.481 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -1.377 27.888 7.523 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -1.876 26.504 7.877 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -2.452 31.985 7.026 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -3.402 32.090 7.078 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -2.101 32.805 7.371 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -6.296 18.996 15.373 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -7.189 19.335 15.306 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -6.395 18.141 15.791 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -0.783 29.252 1.018 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -0.544 28.504 0.470 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -1.052 28.864 1.850 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -1.846 28.822 3.474 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -1.699 28.302 4.264 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -1.849 29.729 3.780 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 0.892 30.520 4.223 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 0.075 31.017 4.276 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 1.421 30.995 3.583 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -1.770 31.563 4.205 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -1.609 32.363 3.704 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -1.967 31.870 5.090 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -3.036 18.261 3.821 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -3.119 19.150 4.167 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -2.146 17.996 4.052 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 1.255 31.115 1.156 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 0.611 30.484 1.478 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 2.017 30.584 0.924 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 2.166 27.889 0.983 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 1.898 28.069 1.884 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 1.960 26.963 0.852 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -0.966 23.057 1.816 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -1.146 22.903 0.888 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -0.015 23.165 1.860 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -1.190 15.888 14.916 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -1.288 16.835 14.810 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -1.933 15.516 14.440 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -5.749 19.181 18.608 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -5.538 18.474 17.997 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -5.861 18.743 19.452 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -0.968 15.182 17.587 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -0.256 14.542 17.573 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -1.069 15.449 16.673 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -0.615 16.865 19.641 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -0.746 16.389 18.820 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -1.214 17.609 19.585 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -1.068 33.748 2.817 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -0.135 33.906 2.961 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -1.332 34.423 2.192 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -7.981 31.858 9.182 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -8.315 30.977 9.354 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -7.759 32.203 10.046 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -7.901 24.933 11.633 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -7.717 24.851 10.698 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -7.052 24.809 12.057 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -8.303 20.204 17.774 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -7.384 20.082 18.010 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -8.753 19.454 18.163 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -7.082 18.516 10.665 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -6.637 17.724 10.967 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -6.616 19.232 11.096 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -8.778 21.515 11.734 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -8.286 21.294 10.944 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -8.416 22.356 12.015 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -8.465 17.773 5.789 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -9.390 17.982 5.659 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -8.011 18.257 5.099 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -8.501 16.511 14.133 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -9.166 16.265 14.776 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -8.944 17.133 13.556 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -6.538 32.540 11.494 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -6.557 32.115 12.351 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -5.733 32.222 11.085 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -4.397 31.250 10.149 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -4.616 30.334 10.318 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -3.573 31.390 10.615 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -6.025 16.018 7.964 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -6.802 15.784 7.456 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -5.494 15.221 7.972 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -6.067 16.532 17.481 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -6.433 15.767 17.924 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.154 16.561 17.768 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -8.111 22.154 25.718 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -8.559 23.000 25.700 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -8.672 21.574 25.203 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -2.016 19.144 20.268 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -2.447 18.699 20.998 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -2.734 19.516 19.756 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -8.774 18.886 27.320 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -8.143 18.857 28.040 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -8.324 18.461 26.590 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -7.499 19.632 22.744 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -7.025 20.223 22.159 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -8.217 20.163 23.091 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -4.231 18.022 25.906 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -4.548 17.120 25.871 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -3.450 18.024 25.354 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -3.036 18.261 22.677 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -3.119 19.150 23.023 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -2.146 17.996 22.908 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -5.653 16.135 29.526 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -5.882 16.194 28.599 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -6.096 15.343 29.833 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -8.465 17.773 24.645 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -9.390 17.982 24.515 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -8.011 18.257 23.955 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -6.025 16.018 26.820 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -6.802 15.784 26.312 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -5.494 15.221 26.828 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -5.327 17.732 21.066 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -4.836 17.102 20.538 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -4.704 18.028 21.729 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -0.301 18.025 23.523 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -0.123 17.379 24.206 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -0.355 18.859 23.990 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -5.749 38.037 -19.104 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -5.538 37.330 -19.715 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -5.861 37.599 -18.260 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -6.067 35.388 -20.231 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -6.433 34.623 -19.788 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -5.154 35.417 -19.944 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -4.094 34.739 -18.695 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -3.195 34.465 -18.880 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -4.480 33.996 -18.231 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -5.645 42.900 -5.922 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -5.603 42.274 -5.198 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -4.942 43.523 -5.740 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -8.111 41.010 -11.994 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -8.559 41.856 -12.012 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -8.672 40.430 -12.509 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -7.401 43.172 -9.868 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -7.187 42.402 -9.341 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -6.663 43.261 -10.471 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -3.328 38.213 -9.509 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -3.285 39.073 -9.927 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -3.786 37.661 -10.142 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -6.708 40.610 -8.747 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -6.054 40.060 -8.315 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -6.684 40.336 -9.663 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -4.924 39.023 -7.482 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -4.311 39.656 -7.109 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -4.412 38.551 -8.139 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -0.492 34.437 -7.982 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -0.609 33.488 -8.036 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -1.347 34.769 -7.709 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 1.440 35.062 -3.830 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 1.860 34.647 -3.077 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 0.507 34.884 -3.713 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -3.132 40.306 -6.109 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -3.774 40.265 -5.400 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -3.095 41.232 -6.347 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -3.135 40.527 -11.197 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -4.028 40.186 -11.256 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -2.684 40.150 -11.953 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -5.382 40.626 -4.242 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -5.420 41.026 -3.374 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -5.873 39.809 -4.152 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -7.499 38.488 -14.968 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -7.025 39.079 -15.553 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -8.217 39.019 -14.621 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -0.553 37.954 -10.111 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -1.464 38.011 -9.822 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -0.048 37.894 -9.300 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -5.725 39.583 -11.284 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -6.614 39.683 -11.624 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -5.429 38.741 -11.630 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -4.231 36.878 -11.806 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -4.548 35.976 -11.841 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -3.450 36.880 -12.358 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -0.607 39.130 -5.810 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -1.442 39.584 -5.700 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -0.083 39.406 -5.058 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -7.930 43.099 -3.041 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -7.707 42.681 -2.209 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -8.532 42.486 -3.463 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 1.307 36.054 -11.723 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 0.960 36.672 -11.078 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 1.965 36.555 -12.204 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -3.036 37.117 -15.035 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -3.119 38.006 -14.689 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -2.146 36.852 -14.804 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -6.695 42.554 -0.321 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -6.287 41.697 -0.442 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -6.955 42.569 0.600 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -2.408 38.918 -1.864 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -2.258 38.189 -2.467 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -2.406 39.695 -2.423 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -1.996 37.288 -4.372 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -1.460 37.739 -5.024 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -2.848 37.180 -4.794 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -3.930 40.116 0.047 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -4.697 39.584 -0.163 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -3.251 39.806 -0.552 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -1.190 34.744 -3.940 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -1.288 35.691 -4.046 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.933 34.372 -4.416 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -5.749 38.037 -0.248 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -5.538 37.330 -0.859 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -5.861 37.599 0.596 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -0.968 34.038 -1.269 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -0.256 33.398 -1.283 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -1.069 34.305 -2.183 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -0.615 35.721 0.785 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -0.746 35.245 -0.036 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -1.214 36.465 0.729 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -7.901 43.789 -7.223 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -7.717 43.707 -8.158 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -7.052 43.665 -6.799 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -8.778 40.371 -7.122 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -8.286 40.150 -7.912 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -8.416 41.212 -6.841 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 1.649 36.240 -8.714 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 0.974 35.611 -8.459 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 2.213 35.756 -9.317 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -1.445 34.801 -11.079 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -0.571 35.189 -11.109 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -1.581 34.586 -10.156 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -5.327 36.588 -16.646 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -4.836 35.958 -17.174 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -4.704 36.884 -15.983 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -0.301 36.881 -14.189 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -0.123 36.235 -13.506 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -0.355 37.715 -13.722 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -8.111 41.010 6.862 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -8.559 41.856 6.844 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -8.672 40.430 6.347 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -2.016 38.000 1.412 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -2.447 37.555 2.142 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -2.734 38.372 0.900 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -8.774 37.742 8.464 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -8.143 37.713 9.184 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -8.324 37.317 7.734 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -5.725 39.583 7.572 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -6.614 39.683 7.232 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -5.429 38.741 7.226 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -4.231 36.878 7.050 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -4.548 35.976 7.015 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -3.450 36.880 6.498 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -6.808 43.018 2.492 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -6.192 43.645 2.871 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -7.670 43.334 2.763 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -3.036 37.117 3.821 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -3.119 38.006 4.167 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -2.146 36.852 4.052 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -6.461 40.209 1.997 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -6.506 41.148 2.176 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -7.349 39.973 1.727 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -8.465 36.629 5.789 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -9.390 36.838 5.659 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -8.011 37.113 5.099 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -6.025 34.874 7.964 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -6.802 34.640 7.456 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -5.494 34.077 7.972 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -1.445 34.801 7.777 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -0.571 35.189 7.747 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -1.581 34.586 8.700 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -5.327 36.588 2.210 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -4.836 35.958 1.682 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -4.704 36.884 2.873 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 21.910 -12.538 7.922 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 21.999 -11.594 7.790 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 21.271 -12.813 7.264 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 13.211 -13.668 12.934 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 13.253 -14.294 13.658 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 13.914 -13.045 13.116 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 24.549 -10.344 9.643 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 24.108 -11.064 10.093 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 24.536 -9.623 10.273 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 11.455 -13.396 8.988 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 11.669 -14.166 9.515 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 12.193 -13.307 8.385 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 21.660 -5.239 9.855 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 22.280 -5.916 9.582 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 21.452 -5.457 10.763 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 22.373 -16.456 12.075 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 22.516 -17.403 12.095 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 22.267 -16.249 11.146 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 12.148 -15.958 10.109 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 12.802 -16.508 10.541 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 12.172 -16.232 9.193 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 17.304 -14.408 9.325 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 17.920 -14.934 9.834 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 16.718 -15.048 8.921 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 21.707 -9.937 6.965 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 21.411 -10.259 6.114 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 21.383 -9.037 7.007 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 25.061 -8.504 11.991 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 24.119 -8.446 12.152 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 25.337 -7.598 11.854 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 23.313 -6.723 8.616 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 23.738 -7.430 8.131 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 23.630 -5.922 8.199 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 24.472 -8.822 7.125 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 24.215 -9.512 6.513 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 24.543 -9.265 7.970 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 26.158 -10.256 15.602 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 26.298 -10.847 14.863 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 26.326 -9.383 15.246 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 20.631 -13.294 5.374 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 19.919 -12.759 5.023 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 21.322 -13.238 4.714 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 24.037 -13.084 6.326 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 23.305 -12.856 6.899 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 24.484 -13.798 6.781 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 23.934 -14.910 15.394 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 24.014 -14.147 15.966 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 23.333 -14.631 14.703 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 15.682 -12.454 8.209 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 15.352 -12.824 7.390 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 16.270 -13.124 8.555 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 17.049 -9.026 10.890 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 16.954 -9.604 10.133 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 17.778 -9.397 11.386 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 16.049 -13.685 11.842 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 16.614 -13.564 11.079 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 16.368 -13.048 12.481 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 20.634 -7.185 7.446 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 21.108 -6.890 8.224 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 20.071 -6.447 7.213 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 13.760 -5.440 7.642 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 13.912 -5.788 8.521 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 12.909 -5.796 7.387 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 15.724 -16.262 12.747 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 15.082 -16.303 13.456 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 15.761 -15.336 12.509 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 20.359 -15.450 17.964 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 19.796 -16.154 18.284 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 21.185 -15.570 18.431 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 22.261 -16.179 9.290 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 22.066 -15.574 8.575 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 22.443 -17.013 8.855 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 13.474 -15.942 14.614 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 13.436 -15.542 15.482 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 12.983 -16.759 14.704 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 19.623 -15.826 10.632 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 20.187 -16.373 10.085 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 19.475 -16.348 11.421 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 18.249 -17.438 13.046 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 17.414 -16.984 13.156 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 18.773 -17.162 13.798 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 18.793 -11.225 4.731 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 18.049 -11.732 4.408 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 18.659 -11.176 5.677 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 25.943 -12.092 13.517 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 26.585 -11.635 12.974 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 25.113 -11.979 13.055 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 13.918 -11.930 10.500 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 14.663 -11.932 9.899 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 13.996 -12.754 10.982 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 23.750 -12.740 11.772 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 22.822 -12.972 11.745 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 24.201 -13.517 11.442 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 16.293 -8.412 7.905 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 16.820 -7.639 7.704 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 15.413 -8.187 7.603 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 17.720 -10.749 7.481 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 17.479 -9.824 7.523 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 16.980 -11.208 7.877 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 16.404 -5.727 7.026 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 15.454 -5.622 7.078 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 16.755 -4.907 7.371 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 24.438 -5.949 15.966 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 23.836 -6.504 15.471 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 24.719 -5.282 15.340 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 19.815 -16.609 15.380 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 19.934 -16.035 16.137 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 20.470 -17.297 15.495 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 24.621 -14.951 10.311 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 23.824 -15.366 9.982 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 25.066 -15.642 10.802 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 25.708 -5.695 11.933 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 25.552 -5.017 11.276 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 26.640 -5.623 12.136 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 12.133 -7.637 6.831 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 11.301 -7.164 6.858 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 12.679 -7.127 6.232 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 16.019 -6.105 19.781 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 16.787 -6.564 20.122 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 15.998 -6.331 18.851 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 23.719 -11.328 15.931 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 24.464 -10.740 15.811 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 22.962 -10.746 15.994 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 16.108 -15.005 15.909 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 15.490 -14.330 16.190 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 16.452 -14.684 15.076 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 21.128 -12.534 19.187 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 22.081 -12.450 19.159 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 20.968 -13.245 19.806 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 16.448 -17.650 16.992 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 16.598 -18.379 16.389 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 16.450 -16.873 16.433 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 22.858 -16.026 19.752 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 23.050 -16.957 19.641 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 23.715 -15.601 19.742 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 24.174 -13.237 17.830 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 23.893 -12.528 17.252 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 25.117 -13.310 17.679 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 14.926 -16.452 18.903 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 14.159 -16.984 18.693 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 15.605 -16.762 18.304 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 18.930 -17.502 18.479 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 18.694 -17.722 19.381 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 18.147 -17.709 17.970 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 13.107 -18.531 18.608 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 13.318 -19.238 17.997 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 12.995 -18.969 19.452 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 10.005 -3.935 7.377 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 9.358 -4.397 6.844 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 10.360 -4.607 7.960 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 10.875 -5.854 9.182 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 10.541 -6.735 9.354 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 11.097 -5.509 10.046 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 26.438 -9.688 19.722 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 25.572 -9.793 20.116 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 26.814 -8.929 20.169 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 27.892 -10.593 12.008 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 28.726 -10.971 11.727 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 28.004 -9.650 11.889 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 26.379 -7.715 14.315 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 25.731 -7.390 14.940 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 25.861 -8.155 13.640 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 10.955 -12.779 11.633 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 11.139 -12.861 10.698 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 11.804 -12.903 12.057 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 26.776 -12.887 17.262 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 27.359 -13.621 17.453 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 27.340 -12.115 17.308 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 26.271 -15.956 14.297 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 25.428 -15.688 14.663 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 26.714 -15.134 14.086 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 10.553 -17.508 17.774 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 11.472 -17.630 18.010 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 10.103 -18.258 18.163 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 10.078 -16.197 11.734 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 10.570 -16.418 10.944 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 10.440 -15.356 12.015 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 25.162 -4.955 7.734 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 25.815 -5.302 7.126 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 25.673 -4.466 8.380 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 22.157 -4.367 16.739 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 22.834 -4.999 16.499 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 22.479 -3.965 17.547 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 12.903 -3.795 14.583 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 12.183 -3.355 14.132 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 12.537 -4.046 15.432 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 15.370 -4.195 13.613 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 14.505 -4.123 14.017 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 15.315 -3.648 12.829 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 20.081 -4.307 12.789 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 19.624 -3.778 12.135 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 20.244 -3.704 13.514 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 22.408 -5.429 13.734 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 21.504 -5.264 13.468 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 22.837 -4.576 13.668 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 25.013 -3.859 14.029 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 24.831 -2.943 13.818 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 25.189 -4.269 13.182 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 12.318 -5.172 11.494 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 12.299 -5.597 12.351 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 13.123 -5.490 11.085 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 14.459 -6.462 10.149 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 14.240 -7.378 10.318 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 15.283 -6.322 10.615 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 16.996 -5.992 10.997 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 17.209 -6.880 10.710 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 17.061 -6.026 11.952 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 26.360 -6.424 17.892 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 25.578 -6.610 17.372 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 26.288 -5.495 18.109 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 10.745 -15.558 25.718 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 10.297 -14.712 25.700 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 10.184 -16.138 25.203 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 11.455 -13.396 27.844 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 11.669 -14.166 28.371 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 12.193 -13.307 27.241 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 20.631 -13.294 24.230 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 19.919 -12.759 23.879 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 21.322 -13.238 23.570 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 20.685 -14.836 21.269 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 21.386 -14.814 21.920 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 20.987 -15.464 20.613 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 15.682 -12.454 27.065 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 15.352 -12.824 26.246 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 16.270 -13.124 27.411 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 22.908 -13.922 22.867 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 23.487 -13.772 23.614 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 23.322 -13.451 22.144 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 14.672 -13.384 24.654 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 14.380 -12.616 24.163 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 13.998 -14.044 24.491 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 13.760 -5.440 26.498 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 13.912 -5.788 27.377 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 12.909 -5.796 26.243 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 23.208 -5.075 21.720 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 23.583 -5.819 21.249 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 23.212 -5.345 22.638 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 24.385 -12.889 20.497 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 24.427 -13.112 19.567 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 25.234 -12.491 20.687 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 11.357 -18.080 22.744 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 11.831 -17.489 22.159 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 10.639 -17.549 23.091 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 13.131 -16.985 26.428 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 12.242 -16.885 26.088 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 13.427 -17.827 26.082 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 15.458 -15.790 21.651 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 14.916 -16.170 20.960 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 16.292 -15.596 21.222 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 18.793 -11.225 23.587 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 18.049 -11.732 23.264 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 18.659 -11.176 24.533 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 20.919 -9.766 22.612 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 20.624 -8.940 22.994 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 20.216 -10.386 22.808 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 16.293 -8.412 26.761 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 16.820 -7.639 26.560 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 15.413 -8.187 26.459 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 17.720 -10.749 26.337 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 17.479 -9.824 26.379 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 16.980 -11.208 26.733 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 23.982 -9.572 21.427 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 24.335 -9.952 22.231 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 23.033 -9.665 21.513 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 17.010 -8.890 22.330 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 17.157 -9.410 23.120 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 17.007 -7.983 22.636 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 19.748 -7.192 23.079 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 18.931 -6.695 23.132 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 20.277 -6.717 22.439 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 17.086 -6.149 23.061 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 17.247 -5.349 22.560 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 16.889 -5.842 23.946 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 12.395 -16.359 20.853 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 12.350 -15.420 21.032 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 11.507 -16.595 20.583 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 12.133 -7.637 25.687 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 11.301 -7.164 25.714 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 12.679 -7.127 25.088 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 24.715 -6.780 20.246 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 24.998 -7.574 20.699 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 25.455 -6.547 19.685 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 16.819 -12.898 22.409 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 16.360 -13.382 23.095 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 17.074 -13.566 21.773 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 17.890 -14.655 20.672 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 17.710 -14.809 19.744 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 18.841 -14.547 20.716 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 17.788 -3.964 21.673 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 18.721 -3.806 21.817 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 17.524 -3.289 21.048 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 10.005 -3.935 26.233 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 9.358 -4.397 25.700 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 10.360 -4.607 26.816 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 10.875 -5.854 28.038 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 10.541 -6.735 28.210 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 11.097 -5.509 28.902 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 20.433 -4.738 21.918 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 21.299 -4.372 21.740 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 20.186 -5.178 21.105 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 14.338 -0.581 13.421 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 14.119 -0.051 12.655 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 13.670 -0.354 14.069 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 18.364 -3.275 10.874 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 18.247 -4.224 10.820 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 17.509 -2.943 11.147 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 15.633 -2.372 11.652 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 14.772 -2.459 11.244 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 15.611 -1.516 12.079 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 20.296 -2.650 15.026 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 20.716 -3.065 15.779 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 19.363 -2.828 15.143 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 10.926 5.387 15.815 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 11.149 4.969 16.647 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 10.324 4.774 15.393 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 12.560 0.140 15.373 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 11.667 0.479 15.306 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 12.461 -0.715 15.791 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 13.203 -2.721 10.670 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 12.974 -2.662 9.743 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 12.760 -3.513 10.977 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 12.161 4.842 18.535 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 12.569 3.985 18.414 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 11.901 4.857 19.456 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 14.926 2.404 18.903 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 14.159 1.872 18.693 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 15.605 2.094 18.304 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 17.666 -2.968 14.916 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 17.568 -2.021 14.810 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 16.923 -3.340 14.440 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 13.107 0.325 18.608 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 13.318 -0.382 17.997 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 12.995 -0.113 19.452 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 17.888 -3.674 17.587 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 18.600 -4.314 17.573 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 17.787 -3.407 16.673 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 18.241 -1.991 19.641 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 18.110 -2.467 18.820 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 17.642 -1.247 19.585 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 10.553 1.348 17.774 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 11.472 1.226 18.010 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 10.103 0.598 18.163 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 11.774 -0.340 10.665 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 12.219 -1.132 10.967 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 12.240 0.376 11.096 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 10.078 2.659 11.734 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 10.570 2.438 10.944 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 10.440 3.500 12.015 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 10.355 -2.345 14.133 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 9.690 -2.591 14.776 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 9.912 -1.723 13.556 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 25.647 -3.365 10.254 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 26.251 -2.817 9.753 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 24.778 -3.045 10.014 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 12.831 -2.838 7.964 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 12.054 -3.072 7.456 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 13.362 -3.635 7.972 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 22.968 -2.881 9.426 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 23.044 -2.786 8.477 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 22.692 -3.789 9.555 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 12.789 -2.324 17.481 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 12.423 -3.089 17.924 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 13.702 -2.295 17.768 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 14.762 -2.973 19.017 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 15.661 -3.247 18.832 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 14.376 -3.716 19.481 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 23.184 -3.641 19.199 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 23.260 -4.067 20.053 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 24.077 -3.627 18.857 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 10.745 3.298 25.718 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 10.297 4.144 25.700 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 10.184 2.718 25.203 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 16.840 0.288 20.268 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 16.409 -0.157 20.998 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 16.122 0.660 19.756 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 10.082 0.030 27.320 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 10.713 0.001 28.040 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 10.532 -0.395 26.590 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 13.131 1.871 26.428 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 12.242 1.971 26.088 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 13.427 1.029 26.082 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 16.784 1.871 24.084 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 17.716 2.000 24.262 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 16.569 2.541 23.435 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 15.458 3.066 21.651 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 14.916 2.686 20.960 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 16.292 3.260 21.222 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 14.625 -0.834 25.906 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 14.308 -1.736 25.871 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 15.406 -0.832 25.354 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 12.048 5.306 21.348 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 12.664 5.933 21.727 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 11.186 5.622 21.619 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 15.820 -0.595 22.677 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 15.737 0.294 23.023 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 16.710 -0.860 22.908 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 12.395 2.497 20.853 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 12.350 3.436 21.032 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 11.507 2.261 20.583 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 12.831 -2.838 26.820 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 12.054 -3.072 26.312 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 13.362 -3.635 26.828 0.00 0.00 WAT1 END