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 13:35:12 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -18.847 -26.028 14.509 1.00 62.45 ATOM 2 CB MET 1 -20.754 -25.725 13.586 1.00 71.34 ATOM 3 HB1 MET 1 -20.430 -26.049 12.607 1.00 39.93 ATOM 4 HB2 MET 1 -20.638 -24.652 13.656 1.00 1.45 ATOM 5 CG MET 1 -22.228 -26.064 13.741 1.00 23.32 ATOM 6 HG1 MET 1 -22.564 -25.748 14.717 1.00 39.93 ATOM 7 HG2 MET 1 -22.352 -27.131 13.649 1.00 51.41 ATOM 8 SD MET 1 -23.260 -25.263 12.499 1.00 42.41 ATOM 9 CE MET 1 -24.847 -25.258 13.329 1.00 60.31 ATOM 10 HE1 MET 1 -25.586 -24.797 12.690 1.00 4.53 ATOM 11 HE2 MET 1 -24.769 -24.701 14.251 1.00 22.34 ATOM 12 HE3 MET 1 -25.143 -26.274 13.546 1.00 53.43 ATOM 13 C MET 1 -20.342 -26.013 16.036 1.00 10.44 ATOM 14 O MET 1 -21.161 -26.714 16.629 1.00 64.43 ATOM 15 N MET 1 -19.851 -27.832 14.459 1.00 34.22 ATOM 16 HT1 MET 1 -19.179 -28.269 15.125 1.00 39.93 ATOM 17 HT2 MET 1 -19.554 -28.077 13.490 1.00 39.93 ATOM 18 HT3 MET 1 -20.796 -28.238 14.631 1.00 39.93 ATOM 19 CA MET 1 -19.860 -26.385 14.638 1.00 55.23 ATOM 20 N GLY 2 -19.828 -24.903 16.559 1.00 23.41 ATOM 21 HN GLY 2 -19.202 -24.360 16.023 1.00 39.93 ATOM 22 CA GLY 2 -20.217 -24.458 17.884 1.00 30.13 ATOM 23 HA1 GLY 2 -20.392 -25.316 18.523 1.00 39.93 ATOM 24 HA2 GLY 2 -21.133 -23.892 17.805 1.00 25.31 ATOM 25 C GLY 2 -19.162 -23.586 18.536 1.00 55.31 ATOM 26 O GLY 2 -19.479 -22.728 19.361 1.00 41.00 ATOM 27 N HIS 3 -17.904 -23.805 18.167 1.00 74.21 ATOM 28 HN HIS 3 -17.700 -24.523 17.526 1.00 39.93 ATOM 29 CA HIS 3 -16.799 -23.033 18.722 1.00 1.44 ATOM 30 HA HIS 3 -16.742 -23.251 19.781 1.00 11.44 ATOM 31 CB HIS 3 -15.482 -23.437 18.059 1.00 72.20 ATOM 32 HB1 HIS 3 -14.685 -22.801 18.424 1.00 39.93 ATOM 33 HB2 HIS 3 -15.572 -23.314 16.990 1.00 62.42 ATOM 34 CG HIS 3 -15.088 -24.857 18.326 1.00 34.33 ATOM 35 ND1 HIS 3 -15.245 -25.869 17.402 1.00 15.41 ATOM 36 HD1 HIS 3 -15.619 -25.769 16.502 1.00 44.42 ATOM 37 CD2 HIS 3 -14.539 -25.433 19.422 1.00 55.43 ATOM 38 HD2 HIS 3 -14.276 -24.934 20.345 1.00 53.22 ATOM 39 CE1 HIS 3 -14.812 -27.005 17.918 1.00 1.21 ATOM 40 HE1 HIS 3 -14.811 -27.965 17.423 1.00 5.54 ATOM 41 NE2 HIS 3 -14.378 -26.767 19.143 1.00 63.53 ATOM 42 HE2 HIS 3 -14.085 -27.451 19.781 1.00 39.93 ATOM 43 C HIS 3 -17.036 -21.537 18.539 1.00 3.54 ATOM 44 O HIS 3 -17.724 -21.116 17.609 1.00 14.33 ATOM 45 N HIS 4 -16.461 -20.738 19.433 1.00 12.41 ATOM 46 HN HIS 4 -15.927 -21.135 20.162 1.00 39.93 ATOM 47 CA HIS 4 -16.610 -19.288 19.370 1.00 10.01 ATOM 48 HA HIS 4 -16.411 -18.977 18.349 1.00 61.43 ATOM 49 CB HIS 4 -18.039 -18.885 19.736 1.00 43.51 ATOM 50 HB1 HIS 4 -18.227 -19.129 20.773 1.00 39.93 ATOM 51 HB2 HIS 4 -18.731 -19.436 19.116 1.00 30.12 ATOM 52 CG HIS 4 -18.315 -17.425 19.548 1.00 14.43 ATOM 53 ND1 HIS 4 -17.809 -16.449 20.381 1.00 31.54 ATOM 54 HD1 HIS 4 -17.246 -16.601 21.167 1.00 42.32 ATOM 55 CD2 HIS 4 -19.050 -16.775 18.614 1.00 25.55 ATOM 56 HD2 HIS 4 -19.594 -17.228 17.797 1.00 22.13 ATOM 57 CE1 HIS 4 -18.221 -15.264 19.969 1.00 12.13 ATOM 58 HE1 HIS 4 -17.981 -14.317 20.429 1.00 53.52 ATOM 59 NE2 HIS 4 -18.975 -15.434 18.898 1.00 11.03 ATOM 60 HE2 HIS 4 -19.482 -14.727 18.446 1.00 39.93 ATOM 61 C HIS 4 -15.619 -18.599 20.304 1.00 74.02 ATOM 62 O HIS 4 -15.697 -18.744 21.524 1.00 11.23 ATOM 63 N HIS 5 -14.688 -17.850 19.722 1.00 10.11 ATOM 64 HN HIS 5 -14.681 -17.762 18.739 1.00 39.93 ATOM 65 CA HIS 5 -13.682 -17.139 20.502 1.00 3.54 ATOM 66 HA HIS 5 -13.346 -17.811 21.280 1.00 64.34 ATOM 67 CB HIS 5 -12.499 -16.750 19.615 1.00 2.11 ATOM 68 HB1 HIS 5 -12.723 -15.837 19.077 1.00 39.93 ATOM 69 HB2 HIS 5 -12.321 -17.541 18.899 1.00 51.12 ATOM 70 CG HIS 5 -11.224 -16.542 20.373 1.00 20.44 ATOM 71 ND1 HIS 5 -10.904 -17.247 21.515 1.00 52.31 ATOM 72 HD1 HIS 5 -11.447 -17.944 21.933 1.00 43.12 ATOM 73 CD2 HIS 5 -10.185 -15.704 20.147 1.00 74.52 ATOM 74 HD2 HIS 5 -10.095 -15.000 19.332 1.00 70.14 ATOM 75 CE1 HIS 5 -9.725 -16.850 21.959 1.00 41.24 ATOM 76 HE1 HIS 5 -9.221 -17.227 22.837 1.00 51.41 ATOM 77 NE2 HIS 5 -9.267 -15.915 21.146 1.00 51.31 ATOM 78 HE2 HIS 5 -8.454 -15.387 21.293 1.00 39.93 ATOM 79 C HIS 5 -14.278 -15.893 21.151 1.00 44.44 ATOM 80 O HIS 5 -15.170 -15.255 20.590 1.00 30.24 ATOM 81 N HIS 6 -13.779 -15.551 22.335 1.00 70.23 ATOM 82 HN HIS 6 -13.072 -16.103 22.744 1.00 39.93 ATOM 83 CA HIS 6 -14.262 -14.381 23.059 1.00 35.43 ATOM 84 HA HIS 6 -14.841 -13.776 22.378 1.00 73.31 ATOM 85 CB HIS 6 -15.137 -14.811 24.238 1.00 50.33 ATOM 86 HB1 HIS 6 -14.516 -15.057 25.091 1.00 39.93 ATOM 87 HB2 HIS 6 -15.703 -15.688 23.955 1.00 11.05 ATOM 88 CG HIS 6 -16.122 -13.766 24.664 1.00 32.32 ATOM 89 ND1 HIS 6 -16.734 -12.903 23.780 1.00 73.31 ATOM 90 HD1 HIS 6 -16.607 -12.886 22.811 1.00 43.42 ATOM 91 CD2 HIS 6 -16.602 -13.450 25.890 1.00 53.04 ATOM 92 HD2 HIS 6 -16.339 -13.926 26.824 1.00 25.43 ATOM 93 CE1 HIS 6 -17.547 -12.100 24.443 1.00 22.10 ATOM 94 HE1 HIS 6 -18.159 -11.322 24.010 1.00 2.32 ATOM 95 NE2 HIS 6 -17.486 -12.411 25.725 1.00 24.42 ATOM 96 HE2 HIS 6 -18.059 -12.034 26.425 1.00 39.93 ATOM 97 C HIS 6 -13.098 -13.532 23.558 1.00 3.51 ATOM 98 O HIS 6 -11.974 -14.017 23.690 1.00 4.13 ATOM 99 N HIS 7 -13.374 -12.261 23.833 1.00 44.53 ATOM 100 HN HIS 7 -14.288 -11.920 23.709 1.00 39.93 ATOM 101 CA HIS 7 -12.348 -11.343 24.317 1.00 53.13 ATOM 102 HA HIS 7 -12.808 -10.376 24.455 1.00 54.20 ATOM 103 CB HIS 7 -11.793 -11.826 25.657 1.00 61.23 ATOM 104 HB1 HIS 7 -11.140 -11.064 26.059 1.00 39.93 ATOM 105 HB2 HIS 7 -11.227 -12.734 25.517 1.00 72.33 ATOM 106 CG HIS 7 -12.852 -12.100 26.680 1.00 4.53 ATOM 107 ND1 HIS 7 -12.882 -13.248 27.443 1.00 14.10 ATOM 108 HD1 HIS 7 -12.236 -13.983 27.397 1.00 21.24 ATOM 109 CD2 HIS 7 -13.921 -11.364 27.066 1.00 25.44 ATOM 110 HD2 HIS 7 -14.208 -10.397 26.677 1.00 50.25 ATOM 111 CE1 HIS 7 -13.925 -13.208 28.253 1.00 74.12 ATOM 112 HE1 HIS 7 -14.201 -13.971 28.966 1.00 62.14 ATOM 113 NE2 HIS 7 -14.572 -12.075 28.044 1.00 23.24 ATOM 114 HE2 HIS 7 -15.433 -11.834 28.445 1.00 39.93 ATOM 115 C HIS 7 -11.217 -11.209 23.302 1.00 4.32 ATOM 116 O HIS 7 -10.040 -11.217 23.665 1.00 62.22 ATOM 117 N HIS 8 -11.581 -11.086 22.030 1.00 45.24 ATOM 118 HN HIS 8 -12.536 -11.059 21.794 1.00 39.93 ATOM 119 CA HIS 8 -10.595 -10.950 20.962 1.00 35.05 ATOM 120 HA HIS 8 -9.598 -11.029 21.378 1.00 32.25 ATOM 121 CB HIS 8 -10.773 -12.065 19.931 1.00 3.22 ATOM 122 HB1 HIS 8 -10.593 -13.013 20.413 1.00 39.93 ATOM 123 HB2 HIS 8 -10.058 -11.936 19.130 1.00 64.20 ATOM 124 CG HIS 8 -12.142 -12.109 19.326 1.00 31.03 ATOM 125 ND1 HIS 8 -12.488 -11.403 18.193 1.00 4.25 ATOM 126 HD1 HIS 8 -11.894 -10.816 17.680 1.00 24.31 ATOM 127 CD2 HIS 8 -13.255 -12.782 19.702 1.00 23.03 ATOM 128 HD2 HIS 8 -13.351 -13.425 20.561 1.00 13.55 ATOM 129 CE1 HIS 8 -13.754 -11.638 17.900 1.00 60.12 ATOM 130 HE1 HIS 8 -14.297 -11.220 17.065 1.00 62.42 ATOM 131 NE2 HIS 8 -14.242 -12.472 18.800 1.00 74.42 ATOM 132 HE2 HIS 8 -15.182 -12.741 18.870 1.00 39.93 ATOM 133 C HIS 8 -10.714 -9.589 20.283 1.00 14.03 ATOM 134 O HIS 8 -10.615 -9.484 19.061 1.00 41.31 ATOM 135 N SER 9 -10.929 -8.550 21.084 1.00 4.01 ATOM 136 HN SER 9 -10.998 -8.685 22.058 1.00 39.93 ATOM 137 CA SER 9 -11.066 -7.196 20.560 1.00 63.22 ATOM 138 HA SER 9 -10.690 -7.165 19.545 1.00 34.34 ATOM 139 CB SER 9 -12.537 -6.778 20.547 1.00 74.44 ATOM 140 HB1 SER 9 -12.865 -6.535 21.551 1.00 39.93 ATOM 141 HB2 SER 9 -13.134 -7.597 20.169 1.00 53.24 ATOM 142 OG SER 9 -12.741 -5.655 19.707 1.00 10.25 ATOM 143 HG SER 9 -12.802 -4.857 20.239 1.00 23.22 ATOM 144 C SER 9 -10.252 -6.207 21.389 1.00 31.42 ATOM 145 O SER 9 -9.714 -6.556 22.441 1.00 72.23 ATOM 146 N HIS 10 -10.166 -4.971 20.908 1.00 33.23 ATOM 147 HN HIS 10 -10.603 -4.749 20.052 1.00 39.93 ATOM 148 CA HIS 10 -9.419 -3.930 21.605 1.00 62.13 ATOM 149 HA HIS 10 -9.246 -4.246 22.628 1.00 64.24 ATOM 150 CB HIS 10 -8.064 -3.709 20.932 1.00 24.31 ATOM 151 HB1 HIS 10 -7.470 -3.047 21.545 1.00 39.93 ATOM 152 HB2 HIS 10 -8.215 -3.253 19.961 1.00 52.50 ATOM 153 CG HIS 10 -7.283 -4.971 20.729 1.00 71.30 ATOM 154 ND1 HIS 10 -7.071 -5.894 21.731 1.00 23.40 ATOM 155 HD1 HIS 10 -7.397 -5.824 22.652 1.00 1.13 ATOM 156 CD2 HIS 10 -6.664 -5.462 19.630 1.00 61.01 ATOM 157 HD2 HIS 10 -6.626 -4.998 18.655 1.00 3.13 ATOM 158 CE1 HIS 10 -6.353 -6.897 21.258 1.00 71.54 ATOM 159 HE1 HIS 10 -6.034 -7.764 21.817 1.00 53.25 ATOM 160 NE2 HIS 10 -6.093 -6.660 19.985 1.00 54.34 ATOM 161 HE2 HIS 10 -5.496 -7.195 19.421 1.00 39.93 ATOM 162 C HIS 10 -10.205 -2.623 21.632 1.00 12.15 ATOM 163 O HIS 10 -10.850 -2.254 20.651 1.00 64.30 ATOM 164 N MET 11 -10.148 -1.927 22.763 1.00 22.45 ATOM 165 HN MET 11 -9.622 -2.281 23.518 1.00 39.93 ATOM 166 CA MET 11 -10.855 -0.661 22.918 1.00 24.22 ATOM 167 HA MET 11 -11.909 -0.844 22.746 1.00 22.05 ATOM 168 CB MET 11 -10.676 -0.123 24.339 1.00 20.22 ATOM 169 HB1 MET 11 -11.042 -0.870 25.030 1.00 39.93 ATOM 170 HB2 MET 11 -11.265 0.777 24.453 1.00 14.42 ATOM 171 CG MET 11 -9.233 0.200 24.690 1.00 44.14 ATOM 172 HG1 MET 11 -8.938 1.089 24.153 1.00 39.93 ATOM 173 HG2 MET 11 -8.598 -0.622 24.393 1.00 22.45 ATOM 174 SD MET 11 -8.995 0.495 26.452 1.00 13.35 ATOM 175 CE MET 11 -8.925 -1.184 27.071 1.00 73.34 ATOM 176 HE1 MET 11 -8.102 -1.705 26.605 1.00 1.11 ATOM 177 HE2 MET 11 -9.850 -1.692 26.840 1.00 73.41 ATOM 178 HE3 MET 11 -8.781 -1.167 28.141 1.00 55.25 ATOM 179 C MET 11 -10.357 0.366 21.907 1.00 42.44 ATOM 180 O MET 11 -9.194 0.343 21.506 1.00 44.23 ATOM 181 N ALA 12 -11.245 1.266 21.498 1.00 13.41 ATOM 182 HN ALA 12 -12.168 1.227 21.847 1.00 39.93 ATOM 183 CA ALA 12 -10.895 2.303 20.535 1.00 71.22 ATOM 184 HA ALA 12 -9.935 2.722 20.822 1.00 11.32 ATOM 185 CB ALA 12 -10.740 1.702 19.146 1.00 62.42 ATOM 186 HB1 ALA 12 -10.425 2.468 18.451 1.00 21.23 ATOM 187 HB2 ALA 12 -11.684 1.287 18.821 1.00 54.43 ATOM 188 HB3 ALA 12 -9.997 0.919 19.177 1.00 65.11 ATOM 189 C ALA 12 -11.940 3.413 20.519 1.00 51.20 ATOM 190 O ALA 12 -13.095 3.188 20.157 1.00 51.21 ATOM 191 N LYS 13 -11.528 4.613 20.915 1.00 61.24 ATOM 192 HN LYS 13 -10.589 4.742 21.182 1.00 39.93 ATOM 193 CA LYS 13 -12.428 5.760 20.946 1.00 63.33 ATOM 194 HA LYS 13 -13.392 5.477 20.544 1.00 13.34 ATOM 195 CB LYS 13 -12.642 6.227 22.387 1.00 3.21 ATOM 196 HB1 LYS 13 -13.279 5.510 22.885 1.00 39.93 ATOM 197 HB2 LYS 13 -13.147 7.187 22.378 1.00 71.14 ATOM 198 CG LYS 13 -11.355 6.345 23.186 1.00 70.13 ATOM 199 HG1 LYS 13 -10.560 6.700 22.543 1.00 39.93 ATOM 200 HG2 LYS 13 -11.099 5.363 23.560 1.00 24.35 ATOM 201 CD LYS 13 -11.507 7.311 24.349 1.00 61.04 ATOM 202 HD1 LYS 13 -12.515 7.253 24.743 1.00 39.93 ATOM 203 HD2 LYS 13 -11.318 8.314 23.997 1.00 65.21 ATOM 204 CE LYS 13 -10.533 6.989 25.471 1.00 4.24 ATOM 205 HE1 LYS 13 -10.437 5.916 25.579 1.00 39.93 ATOM 206 HE2 LYS 13 -10.925 7.401 26.389 1.00 22.33 ATOM 207 NZ LYS 13 -9.187 7.577 25.224 1.00 52.51 ATOM 208 HZ1 LYS 13 -8.547 7.339 26.009 1.00 64.24 ATOM 209 HZ2 LYS 13 -9.252 8.613 25.151 1.00 72.53 ATOM 210 HZ3 LYS 13 -8.785 7.202 24.340 1.00 42.32 ATOM 211 C LYS 13 -11.876 6.907 20.105 1.00 75.34 ATOM 212 O LYS 13 -11.477 7.951 20.621 1.00 71.31 ATOM 213 N PRO 14 -11.855 6.711 18.778 1.00 45.42 ATOM 214 CA PRO 14 -11.356 7.720 17.837 1.00 34.44 ATOM 215 HA PRO 14 -10.360 8.048 18.098 1.00 45.14 ATOM 216 CB PRO 14 -11.317 6.971 16.503 1.00 55.23 ATOM 217 HB1 PRO 14 -10.332 6.555 16.358 1.00 39.93 ATOM 218 HB2 PRO 14 -11.552 7.632 15.677 1.00 11.44 ATOM 219 CG PRO 14 -12.334 5.892 16.644 1.00 33.40 ATOM 220 HG1 PRO 14 -12.067 5.052 16.020 1.00 39.93 ATOM 221 HG2 PRO 14 -13.309 6.268 16.372 1.00 62.04 ATOM 222 CD PRO 14 -12.315 5.492 18.093 1.00 21.44 ATOM 223 HD1 PRO 14 -11.618 4.684 18.237 1.00 39.93 ATOM 224 HD2 PRO 14 -13.305 5.208 18.415 1.00 21.40 ATOM 225 C PRO 14 -12.279 8.930 17.743 1.00 71.03 ATOM 226 O PRO 14 -13.290 9.010 18.441 1.00 75.51 ATOM 227 N THR 15 -11.925 9.872 16.874 1.00 61.00 ATOM 228 HN THR 15 -11.097 9.763 16.348 1.00 39.93 ATOM 229 CA THR 15 -12.721 11.079 16.688 1.00 24.24 ATOM 230 HA THR 15 -13.726 10.887 17.058 1.00 41.40 ATOM 231 CB THR 15 -12.135 12.265 17.478 1.00 70.22 ATOM 232 HB THR 15 -11.306 12.690 16.924 1.00 24.35 ATOM 233 OG1 THR 15 -11.649 11.816 18.748 1.00 64.34 ATOM 234 HG1 THR 15 -10.972 12.419 19.067 1.00 74.32 ATOM 235 CG2 THR 15 -13.183 13.348 17.685 1.00 73.53 ATOM 236 HG21 THR 15 -12.748 14.166 18.240 1.00 51.12 ATOM 237 HG22 THR 15 -14.018 12.944 18.239 1.00 4.42 ATOM 238 HG23 THR 15 -13.527 13.708 16.726 1.00 22.43 ATOM 239 C THR 15 -12.809 11.458 15.215 1.00 42.04 ATOM 240 O THR 15 -11.790 11.599 14.538 1.00 35.13 ATOM 241 N ALA 16 -14.033 11.623 14.723 1.00 65.31 ATOM 242 HN ALA 16 -14.817 11.487 15.305 1.00 39.93 ATOM 243 CA ALA 16 -14.253 11.989 13.329 1.00 20.44 ATOM 244 HA ALA 16 -13.315 12.323 12.896 1.00 0.31 ATOM 245 CB ALA 16 -14.712 10.777 12.532 1.00 64.23 ATOM 246 HB1 ALA 16 -15.662 10.429 12.913 1.00 71.43 ATOM 247 HB2 ALA 16 -13.979 9.989 12.626 1.00 60.40 ATOM 248 HB3 ALA 16 -14.817 11.045 11.490 1.00 45.02 ATOM 249 C ALA 16 -15.271 13.117 13.213 1.00 55.53 ATOM 250 O ALA 16 -16.459 12.925 13.475 1.00 23.44 ATOM 251 N ARG 17 -14.800 14.295 12.818 1.00 44.50 ATOM 252 HN ARG 17 -13.843 14.391 12.611 1.00 39.93 ATOM 253 CA ARG 17 -15.670 15.456 12.669 1.00 64.13 ATOM 254 HA ARG 17 -16.703 15.142 12.771 1.00 3.53 ATOM 255 CB ARG 17 -15.372 16.486 13.759 1.00 14.45 ATOM 256 HB1 ARG 17 -15.551 16.022 14.719 1.00 39.93 ATOM 257 HB2 ARG 17 -16.052 17.323 13.654 1.00 71.32 ATOM 258 CG ARG 17 -13.938 16.990 13.747 1.00 13.11 ATOM 259 HG1 ARG 17 -13.280 16.252 13.316 1.00 39.93 ATOM 260 HG2 ARG 17 -13.633 17.175 14.767 1.00 4.05 ATOM 261 CD ARG 17 -13.808 18.281 12.954 1.00 70.24 ATOM 262 HD1 ARG 17 -14.540 18.306 12.162 1.00 39.93 ATOM 263 HD2 ARG 17 -12.825 18.318 12.509 1.00 22.11 ATOM 264 NE ARG 17 -14.006 19.461 13.791 1.00 24.44 ATOM 265 HE ARG 17 -14.870 19.923 13.722 1.00 63.20 ATOM 266 CZ ARG 17 -13.087 19.930 14.628 1.00 31.35 ATOM 267 NH1 ARG 17 -11.914 19.322 14.738 1.00 4.54 ATOM 268 HH11 ARG 17 -11.692 18.509 14.207 1.00 61.24 ATOM 269 HH12 ARG 17 -11.228 19.686 15.371 1.00 73.53 ATOM 270 NH2 ARG 17 -13.341 21.009 15.357 1.00 35.15 ATOM 271 HH21 ARG 17 -14.226 21.473 15.279 1.00 1.51 ATOM 272 HH22 ARG 17 -12.649 21.365 15.989 1.00 2.02 ATOM 273 C ARG 17 -15.496 16.092 11.292 1.00 34.34 ATOM 274 O ARG 17 -14.385 16.176 10.772 1.00 50.03 ATOM 275 N GLY 18 -16.605 16.538 10.708 1.00 24.53 ATOM 276 HN GLY 18 -17.471 16.444 11.172 1.00 39.93 ATOM 277 CA GLY 18 -16.554 17.159 9.398 1.00 41.11 ATOM 278 HA1 GLY 18 -16.210 16.427 8.679 1.00 39.93 ATOM 279 HA2 GLY 18 -15.845 17.978 9.421 1.00 35.43 ATOM 280 C GLY 18 -17.906 17.676 8.948 1.00 33.54 ATOM 281 O GLY 18 -18.842 16.899 8.759 1.00 11.24 ATOM 282 N GLU 19 -18.010 18.990 8.779 1.00 64.03 ATOM 283 HN GLU 19 -17.223 19.566 8.931 1.00 39.93 ATOM 284 CA GLU 19 -19.259 19.608 8.351 1.00 10.42 ATOM 285 HA GLU 19 -20.085 18.950 8.604 1.00 64.01 ATOM 286 CB GLU 19 -19.468 20.940 9.075 1.00 53.44 ATOM 287 HB1 GLU 19 -20.328 21.444 8.647 1.00 39.93 ATOM 288 HB2 GLU 19 -18.593 21.556 8.931 1.00 51.53 ATOM 289 CG GLU 19 -19.703 20.791 10.568 1.00 3.45 ATOM 290 HG1 GLU 19 -18.806 20.397 11.023 1.00 39.93 ATOM 291 HG2 GLU 19 -20.520 20.101 10.728 1.00 52.10 ATOM 292 CD GLU 19 -20.049 22.107 11.239 1.00 71.33 ATOM 293 OE1 GLU 19 -20.703 22.076 12.302 1.00 20.34 ATOM 294 OE2 GLU 19 -19.667 23.166 10.700 1.00 1.41 ATOM 295 C GLU 19 -19.268 19.830 6.841 1.00 4.34 ATOM 296 O GLU 19 -19.016 20.937 6.365 1.00 71.44 ATOM 297 N ALA 20 -19.558 18.770 6.095 1.00 32.21 ATOM 298 HN ALA 20 -19.765 17.910 6.534 1.00 39.93 ATOM 299 CA ALA 20 -19.601 18.848 4.640 1.00 11.12 ATOM 300 HA ALA 20 -18.903 19.614 4.312 1.00 51.51 ATOM 301 CB ALA 20 -19.149 17.531 4.027 1.00 2.02 ATOM 302 HB1 ALA 20 -18.158 17.292 4.384 1.00 73.43 ATOM 303 HB2 ALA 20 -19.129 17.618 2.950 1.00 65.33 ATOM 304 HB3 ALA 20 -19.832 16.743 4.313 1.00 33.21 ATOM 305 C ALA 20 -21.000 19.209 4.151 1.00 64.11 ATOM 306 O ALA 20 -21.998 18.739 4.694 1.00 14.12 ATOM 307 N GLY 21 -21.063 20.047 3.121 1.00 54.32 ATOM 308 HN GLY 21 -20.234 20.401 2.723 1.00 39.93 ATOM 309 CA GLY 21 -22.345 20.457 2.576 1.00 5.54 ATOM 310 HA1 GLY 21 -22.496 21.501 2.807 1.00 39.93 ATOM 311 HA2 GLY 21 -23.152 19.886 3.021 1.00 44.12 ATOM 312 C GLY 21 -22.417 20.286 1.072 1.00 21.11 ATOM 313 O GLY 21 -23.125 19.411 0.574 1.00 64.43 ATOM 314 N SER 22 -21.684 21.125 0.346 1.00 33.44 ATOM 315 HN SER 22 -21.125 21.794 0.794 1.00 39.93 ATOM 316 CA SER 22 -21.673 21.065 -1.111 1.00 3.34 ATOM 317 HA SER 22 -22.377 20.314 -1.447 1.00 53.33 ATOM 318 CB SER 22 -22.092 22.413 -1.700 1.00 51.23 ATOM 319 HB1 SER 22 -22.226 22.313 -2.767 1.00 39.93 ATOM 320 HB2 SER 22 -21.328 23.152 -1.500 1.00 75.44 ATOM 321 OG SER 22 -23.309 22.863 -1.130 1.00 4.25 ATOM 322 HG SER 22 -23.463 23.776 -1.383 1.00 22.53 ATOM 323 C SER 22 -20.290 20.679 -1.628 1.00 12.24 ATOM 324 O SER 22 -19.349 20.515 -0.851 1.00 43.24 ATOM 325 N ARG 23 -20.177 20.536 -2.944 1.00 25.41 ATOM 326 HN ARG 23 -20.970 20.676 -3.516 1.00 39.93 ATOM 327 CA ARG 23 -18.910 20.168 -3.566 1.00 33.42 ATOM 328 HA ARG 23 -18.590 19.222 -3.145 1.00 35.34 ATOM 329 CB ARG 23 -19.086 20.014 -5.078 1.00 3.43 ATOM 330 HB1 ARG 23 -18.132 20.165 -5.571 1.00 39.93 ATOM 331 HB2 ARG 23 -19.776 20.774 -5.424 1.00 45.22 ATOM 332 CG ARG 23 -19.606 18.649 -5.495 1.00 64.42 ATOM 333 HG1 ARG 23 -20.336 18.304 -4.774 1.00 39.93 ATOM 334 HG2 ARG 23 -18.779 17.956 -5.530 1.00 52.04 ATOM 335 CD ARG 23 -20.263 18.698 -6.866 1.00 22.33 ATOM 336 HD1 ARG 23 -21.052 19.439 -6.853 1.00 39.93 ATOM 337 HD2 ARG 23 -20.689 17.728 -7.077 1.00 35.34 ATOM 338 NE ARG 23 -19.308 19.033 -7.919 1.00 13.53 ATOM 339 HE ARG 23 -18.367 19.174 -7.662 1.00 64.23 ATOM 340 CZ ARG 23 -19.640 19.157 -9.199 1.00 41.40 ATOM 341 NH1 ARG 23 -20.896 18.975 -9.583 1.00 22.44 ATOM 342 HH11 ARG 23 -21.612 18.743 -8.926 1.00 35.41 ATOM 343 HH12 ARG 23 -21.137 19.071 -10.551 1.00 71.32 ATOM 344 NH2 ARG 23 -18.714 19.465 -10.099 1.00 13.24 ATOM 345 HH21 ARG 23 -17.763 19.605 -9.816 1.00 65.01 ATOM 346 HH22 ARG 23 -18.962 19.559 -11.066 1.00 2.13 ATOM 347 C ARG 23 -17.836 21.211 -3.271 1.00 33.44 ATOM 348 O ARG 23 -16.664 20.877 -3.098 1.00 42.23 ATOM 349 N ASP 24 -18.245 22.473 -3.215 1.00 0.35 ATOM 350 HN ASP 24 -19.198 22.678 -3.353 1.00 39.93 ATOM 351 CA ASP 24 -17.318 23.565 -2.940 1.00 13.42 ATOM 352 HA ASP 24 -16.513 23.515 -3.661 1.00 45.24 ATOM 353 CB ASP 24 -18.026 24.913 -3.088 1.00 73.05 ATOM 354 HB1 ASP 24 -17.296 25.707 -3.017 1.00 39.93 ATOM 355 HB2 ASP 24 -18.755 25.027 -2.297 1.00 34.40 ATOM 356 CG ASP 24 -18.748 25.045 -4.415 1.00 60.42 ATOM 357 OD1 ASP 24 -19.783 25.743 -4.462 1.00 23.35 ATOM 358 OD2 ASP 24 -18.278 24.450 -5.407 1.00 43.24 ATOM 359 C ASP 24 -16.729 23.438 -1.539 1.00 2.34 ATOM 360 O ASP 24 -15.553 23.729 -1.321 1.00 51.54 ATOM 361 N GLU 25 -17.554 23.003 -0.592 1.00 32.21 ATOM 362 HN GLU 25 -18.492 22.799 -0.818 1.00 39.93 ATOM 363 CA GLU 25 -17.114 22.840 0.789 1.00 60.44 ATOM 364 HA GLU 25 -16.770 23.803 1.147 1.00 53.14 ATOM 365 CB GLU 25 -18.273 22.358 1.663 1.00 32.44 ATOM 366 HB1 GLU 25 -17.881 21.796 2.503 1.00 39.93 ATOM 367 HB2 GLU 25 -18.912 21.709 1.091 1.00 12.14 ATOM 368 CG GLU 25 -19.117 23.486 2.232 1.00 50.24 ATOM 369 HG1 GLU 25 -18.467 24.216 2.695 1.00 39.93 ATOM 370 HG2 GLU 25 -19.781 23.076 2.979 1.00 20.22 ATOM 371 CD GLU 25 -19.951 24.181 1.173 1.00 52.01 ATOM 372 OE1 GLU 25 -21.177 23.948 1.136 1.00 54.43 ATOM 373 OE2 GLU 25 -19.377 24.958 0.381 1.00 22.14 ATOM 374 C GLU 25 -15.952 21.854 0.876 1.00 33.13 ATOM 375 O GLU 25 -14.970 22.097 1.577 1.00 43.10 ATOM 376 N ARG 26 -16.073 20.741 0.160 1.00 33.35 ATOM 377 HN ARG 26 -16.891 20.593 -0.373 1.00 39.93 ATOM 378 CA ARG 26 -15.035 19.717 0.158 1.00 10.23 ATOM 379 HA ARG 26 -14.988 19.282 1.143 1.00 33.41 ATOM 380 CB ARG 26 -15.370 18.623 -0.857 1.00 43.23 ATOM 381 HB1 ARG 26 -14.487 18.014 -1.016 1.00 39.93 ATOM 382 HB2 ARG 26 -15.644 19.088 -1.791 1.00 50.12 ATOM 383 CG ARG 26 -16.512 17.719 -0.424 1.00 71.02 ATOM 384 HG1 ARG 26 -17.447 18.185 -0.701 1.00 39.93 ATOM 385 HG2 ARG 26 -16.480 17.590 0.646 1.00 64.23 ATOM 386 CD ARG 26 -16.428 16.356 -1.092 1.00 65.45 ATOM 387 HD1 ARG 26 -16.386 16.494 -2.164 1.00 39.93 ATOM 388 HD2 ARG 26 -17.317 15.791 -0.847 1.00 42.51 ATOM 389 NE ARG 26 -15.245 15.610 -0.668 1.00 14.40 ATOM 390 HE ARG 26 -14.516 15.512 -1.319 1.00 2.31 ATOM 391 CZ ARG 26 -15.112 15.068 0.537 1.00 11.23 ATOM 392 NH1 ARG 26 -16.083 15.187 1.432 1.00 1.25 ATOM 393 HH11 ARG 26 -16.929 15.667 1.232 1.00 22.30 ATOM 394 HH12 ARG 26 -15.964 14.781 2.341 1.00 75.10 ATOM 395 NH2 ARG 26 -14.006 14.405 0.849 1.00 31.30 ATOM 396 HH21 ARG 26 -13.268 14.311 0.177 1.00 72.33 ATOM 397 HH22 ARG 26 -13.903 13.995 1.758 1.00 4.22 ATOM 398 C ARG 26 -13.673 20.325 -0.163 1.00 41.12 ATOM 399 O ARG 26 -12.649 19.896 0.370 1.00 53.24 ATOM 400 N ARG 27 -13.669 21.326 -1.038 1.00 62.40 ATOM 401 HN ARG 27 -14.516 21.618 -1.449 1.00 39.93 ATOM 402 CA ARG 27 -12.433 21.991 -1.432 1.00 1.12 ATOM 403 HA ARG 27 -11.705 21.229 -1.689 1.00 15.02 ATOM 404 CB ARG 27 -12.677 22.889 -2.646 1.00 64.23 ATOM 405 HB1 ARG 27 -12.029 23.743 -2.586 1.00 39.93 ATOM 406 HB2 ARG 27 -13.694 23.245 -2.634 1.00 53.34 ATOM 407 CG ARG 27 -12.417 22.199 -3.976 1.00 21.15 ATOM 408 HG1 ARG 27 -11.573 21.527 -3.879 1.00 39.93 ATOM 409 HG2 ARG 27 -12.192 22.950 -4.718 1.00 10.11 ATOM 410 CD ARG 27 -13.633 21.414 -4.443 1.00 24.24 ATOM 411 HD1 ARG 27 -14.285 22.087 -4.981 1.00 39.93 ATOM 412 HD2 ARG 27 -14.159 21.012 -3.586 1.00 62.52 ATOM 413 NE ARG 27 -13.265 20.305 -5.320 1.00 4.45 ATOM 414 HE ARG 27 -12.306 20.104 -5.433 1.00 62.21 ATOM 415 CZ ARG 27 -14.149 19.556 -5.968 1.00 54.51 ATOM 416 NH1 ARG 27 -15.447 19.796 -5.839 1.00 40.23 ATOM 417 HH11 ARG 27 -15.785 20.535 -5.259 1.00 62.20 ATOM 418 HH12 ARG 27 -16.107 19.226 -6.333 1.00 12.53 ATOM 419 NH2 ARG 27 -13.737 18.566 -6.748 1.00 64.51 ATOM 420 HH21 ARG 27 -12.758 18.380 -6.851 1.00 32.01 ATOM 421 HH22 ARG 27 -14.403 17.999 -7.238 1.00 11.44 ATOM 422 C ARG 27 -11.870 22.818 -0.280 1.00 23.14 ATOM 423 O ARG 27 -10.655 22.953 -0.135 1.00 71.31 ATOM 424 N ALA 28 -12.761 23.370 0.537 1.00 32.52 ATOM 425 HN ALA 28 -13.719 23.256 0.359 1.00 39.93 ATOM 426 CA ALA 28 -12.353 24.181 1.677 1.00 53.51 ATOM 427 HA ALA 28 -11.648 24.928 1.331 1.00 24.14 ATOM 428 CB ALA 28 -13.554 24.911 2.261 1.00 4.25 ATOM 429 HB1 ALA 28 -13.227 25.582 3.043 1.00 32.11 ATOM 430 HB2 ALA 28 -14.258 24.200 2.667 1.00 41.01 ATOM 431 HB3 ALA 28 -14.031 25.478 1.480 1.00 31.42 ATOM 432 C ALA 28 -11.679 23.328 2.746 1.00 43.25 ATOM 433 O ALA 28 -10.512 23.541 3.080 1.00 54.12 ATOM 434 N LEU 29 -12.419 22.362 3.279 1.00 44.51 ATOM 435 HN LEU 29 -13.353 22.267 2.986 1.00 39.93 ATOM 436 CA LEU 29 -11.892 21.477 4.311 1.00 23.52 ATOM 437 HA LEU 29 -11.609 22.083 5.161 1.00 42.22 ATOM 438 CB LEU 29 -12.965 20.480 4.752 1.00 12.03 ATOM 439 HB1 LEU 29 -13.650 21.021 5.392 1.00 39.93 ATOM 440 HB2 LEU 29 -12.491 19.716 5.362 1.00 1.10 ATOM 441 CG LEU 29 -13.764 19.814 3.631 1.00 20.04 ATOM 442 HG LEU 29 -13.461 20.198 2.670 1.00 10.22 ATOM 443 CD1 LEU 29 -13.503 18.316 3.608 1.00 74.13 ATOM 444 HD11 LEU 29 -14.056 17.864 2.796 1.00 71.40 ATOM 445 HD12 LEU 29 -13.817 17.876 4.545 1.00 13.40 ATOM 446 HD13 LEU 29 -12.447 18.134 3.462 1.00 51.12 ATOM 447 CD2 LEU 29 -15.250 20.096 3.795 1.00 13.24 ATOM 448 HD21 LEU 29 -15.594 19.690 4.737 1.00 3.13 ATOM 449 HD22 LEU 29 -15.804 19.641 2.990 1.00 23.24 ATOM 450 HD23 LEU 29 -15.420 21.163 3.786 1.00 64.43 ATOM 451 C LEU 29 -10.661 20.727 3.810 1.00 54.22 ATOM 452 O LEU 29 -9.797 20.338 4.594 1.00 1.23 ATOM 453 N ALA 30 -10.589 20.530 2.497 1.00 0.44 ATOM 454 HN ALA 30 -11.326 20.822 1.914 1.00 39.93 ATOM 455 CA ALA 30 -9.463 19.832 1.891 1.00 64.22 ATOM 456 HA ALA 30 -9.324 18.892 2.411 1.00 21.25 ATOM 457 CB ALA 30 -9.761 19.517 0.432 1.00 23.54 ATOM 458 HB1 ALA 30 -10.527 18.759 0.381 1.00 70.44 ATOM 459 HB2 ALA 30 -8.868 19.151 -0.059 1.00 63.10 ATOM 460 HB3 ALA 30 -10.106 20.411 -0.067 1.00 72.21 ATOM 461 C ALA 30 -8.182 20.652 2.006 1.00 61.43 ATOM 462 O ALA 30 -7.108 20.109 2.266 1.00 14.43 ATOM 463 N MET 31 -8.303 21.960 1.809 1.00 41.31 ATOM 464 HN MET 31 -9.187 22.345 1.603 1.00 39.93 ATOM 465 CA MET 31 -7.154 22.855 1.891 1.00 22.52 ATOM 466 HA MET 31 -6.255 22.293 1.679 1.00 33.43 ATOM 467 CB MET 31 -7.286 23.986 0.870 1.00 75.55 ATOM 468 HB1 MET 31 -6.471 24.687 1.002 1.00 39.93 ATOM 469 HB2 MET 31 -8.220 24.501 1.043 1.00 73.23 ATOM 470 CG MET 31 -7.273 23.506 -0.573 1.00 11.11 ATOM 471 HG1 MET 31 -7.434 24.352 -1.215 1.00 39.93 ATOM 472 HG2 MET 31 -8.065 22.787 -0.716 1.00 2.35 ATOM 473 SD MET 31 -5.705 22.747 -1.038 1.00 50.21 ATOM 474 CE MET 31 -4.684 24.199 -1.279 1.00 14.33 ATOM 475 HE1 MET 31 -3.792 23.927 -1.824 1.00 71.45 ATOM 476 HE2 MET 31 -4.408 24.604 -0.320 1.00 21.32 ATOM 477 HE3 MET 31 -5.238 24.937 -1.838 1.00 44.43 ATOM 478 C MET 31 -7.016 23.435 3.295 1.00 54.20 ATOM 479 O MET 31 -6.047 24.131 3.598 1.00 24.43 ATOM 480 N LYS 32 -7.993 23.146 4.148 1.00 21.03 ATOM 481 HN LYS 32 -8.755 22.609 3.868 1.00 39.93 ATOM 482 CA LYS 32 -7.981 23.638 5.521 1.00 51.23 ATOM 483 HA LYS 32 -8.849 23.239 6.024 1.00 41.43 ATOM 484 CB LYS 32 -6.721 23.159 6.245 1.00 11.23 ATOM 485 HB1 LYS 32 -6.847 23.351 7.302 1.00 39.93 ATOM 486 HB2 LYS 32 -5.860 23.711 5.893 1.00 12.24 ATOM 487 CG LYS 32 -6.439 21.678 6.060 1.00 10.34 ATOM 488 HG1 LYS 32 -6.191 21.488 5.025 1.00 39.93 ATOM 489 HG2 LYS 32 -7.325 21.118 6.325 1.00 51.44 ATOM 490 CD LYS 32 -5.294 21.214 6.945 1.00 70.01 ATOM 491 HD1 LYS 32 -5.274 20.134 6.943 1.00 39.93 ATOM 492 HD2 LYS 32 -5.450 21.568 7.956 1.00 53.22 ATOM 493 CE LYS 32 -3.955 21.730 6.440 1.00 32.01 ATOM 494 HE1 LYS 32 -3.849 22.764 6.733 1.00 39.93 ATOM 495 HE2 LYS 32 -3.924 21.657 5.360 1.00 73.33 ATOM 496 NZ LYS 32 -2.815 20.952 6.998 1.00 62.51 ATOM 497 HZ1 LYS 32 -2.807 21.016 8.038 1.00 11.15 ATOM 498 HZ2 LYS 32 -1.917 21.329 6.635 1.00 34.31 ATOM 499 HZ3 LYS 32 -2.891 19.950 6.723 1.00 21.02 ATOM 500 C LYS 32 -8.051 25.162 5.553 1.00 63.40 ATOM 501 O LYS 32 -7.132 25.824 6.036 1.00 30.13 ATOM 502 N ILE 33 -9.145 25.710 5.037 1.00 14.32 ATOM 503 HN ILE 33 -9.853 25.127 4.672 1.00 39.93 ATOM 504 CA ILE 33 -9.335 27.155 5.010 1.00 42.30 ATOM 505 HA ILE 33 -8.384 27.593 4.757 1.00 4.13 ATOM 506 CB ILE 33 -10.359 27.569 3.937 1.00 74.40 ATOM 507 HB ILE 33 -11.317 27.135 4.191 1.00 13.30 ATOM 508 CG1 ILE 33 -9.930 27.049 2.564 1.00 71.35 ATOM 509 HG11 ILE 33 -10.665 27.342 1.826 1.00 39.93 ATOM 510 HG12 ILE 33 -9.872 25.971 2.590 1.00 3.30 ATOM 511 CG2 ILE 33 -10.518 29.082 3.911 1.00 61.51 ATOM 512 HG21 ILE 33 -9.585 29.554 3.663 1.00 11.13 ATOM 513 HG22 ILE 33 -10.846 29.430 4.860 1.00 11.41 ATOM 514 HG23 ILE 33 -11.255 29.350 3.167 1.00 61.53 ATOM 515 CD1 ILE 33 -8.585 27.574 2.112 1.00 31.41 ATOM 516 HD11 ILE 33 -8.380 27.200 1.119 1.00 1.34 ATOM 517 HD12 ILE 33 -7.810 27.233 2.779 1.00 50.34 ATOM 518 HD13 ILE 33 -8.593 28.651 2.085 1.00 22.30 ATOM 519 C ILE 33 -9.799 27.675 6.367 1.00 63.44 ATOM 520 O ILE 33 -10.712 27.131 6.988 1.00 25.43 ATOM 521 N PRO 34 -9.157 28.754 6.838 1.00 52.33 ATOM 522 CA PRO 34 -9.488 29.373 8.125 1.00 75.03 ATOM 523 HA PRO 34 -9.469 28.651 8.929 1.00 65.45 ATOM 524 CB PRO 34 -8.367 30.395 8.326 1.00 53.52 ATOM 525 HB1 PRO 34 -7.576 29.946 8.908 1.00 39.93 ATOM 526 HB2 PRO 34 -8.735 31.277 8.838 1.00 3.22 ATOM 527 CG PRO 34 -7.897 30.718 6.949 1.00 32.24 ATOM 528 HG1 PRO 34 -6.858 31.010 6.976 1.00 39.93 ATOM 529 HG2 PRO 34 -8.489 31.501 6.540 1.00 11.22 ATOM 530 CD PRO 34 -8.059 29.455 6.150 1.00 75.50 ATOM 531 HD1 PRO 34 -7.150 28.872 6.184 1.00 39.93 ATOM 532 HD2 PRO 34 -8.305 29.698 5.141 1.00 55.41 ATOM 533 C PRO 34 -10.845 30.068 8.102 1.00 55.14 ATOM 534 O PRO 34 -11.613 29.986 9.061 1.00 62.21 ATOM 535 N PHE 35 -11.136 30.752 7.000 1.00 1.40 ATOM 536 HN PHE 35 -10.506 30.748 6.263 1.00 39.93 ATOM 537 CA PHE 35 -12.401 31.463 6.852 1.00 21.44 ATOM 538 HA PHE 35 -12.798 31.652 7.841 1.00 60.22 ATOM 539 CB PHE 35 -12.176 32.810 6.162 1.00 34.51 ATOM 540 HB1 PHE 35 -11.656 33.465 6.849 1.00 39.93 ATOM 541 HB2 PHE 35 -13.127 33.261 5.914 1.00 74.40 ATOM 542 CG PHE 35 -11.364 32.710 4.902 1.00 34.44 ATOM 543 CD1 PHE 35 -9.991 32.892 4.932 1.00 71.44 ATOM 544 HD1 PHE 35 -9.505 33.118 5.868 1.00 44.14 ATOM 545 CD2 PHE 35 -11.974 32.433 3.689 1.00 12.14 ATOM 546 HD2 PHE 35 -13.043 32.290 3.650 1.00 11.31 ATOM 547 CE1 PHE 35 -9.242 32.801 3.774 1.00 62.12 ATOM 548 HE1 PHE 35 -8.177 32.944 3.818 1.00 52.32 ATOM 549 CE2 PHE 35 -11.230 32.341 2.528 1.00 21.13 ATOM 550 HE2 PHE 35 -11.702 32.127 1.597 1.00 51.23 ATOM 551 CZ PHE 35 -9.862 32.524 2.571 1.00 42.00 ATOM 552 HZ PHE 35 -9.280 32.456 1.668 1.00 5.11 ATOM 553 C PHE 35 -13.402 30.631 6.056 1.00 61.31 ATOM 554 O PHE 35 -13.035 29.759 5.268 1.00 70.22 ATOM 555 N PRO 36 -14.698 30.905 6.266 1.00 60.02 ATOM 556 CA PRO 36 -15.779 30.194 5.577 1.00 32.45 ATOM 557 HA PRO 36 -15.686 29.123 5.698 1.00 62.33 ATOM 558 CB PRO 36 -17.039 30.682 6.296 1.00 12.14 ATOM 559 HB1 PRO 36 -17.286 29.993 7.089 1.00 39.93 ATOM 560 HB2 PRO 36 -17.874 30.752 5.609 1.00 43.03 ATOM 561 CG PRO 36 -16.669 32.017 6.846 1.00 63.55 ATOM 562 HG1 PRO 36 -17.251 32.226 7.731 1.00 39.93 ATOM 563 HG2 PRO 36 -16.833 32.768 6.104 1.00 41.21 ATOM 564 CD PRO 36 -15.208 31.931 7.191 1.00 43.12 ATOM 565 HD1 PRO 36 -15.082 31.620 8.218 1.00 39.93 ATOM 566 HD2 PRO 36 -14.741 32.883 7.028 1.00 30.45 ATOM 567 C PRO 36 -15.846 30.537 4.093 1.00 20.32 ATOM 568 O PRO 36 -15.392 31.600 3.670 1.00 54.43 ATOM 569 N THR 37 -16.415 29.629 3.306 1.00 50.23 ATOM 570 HN THR 37 -16.779 28.806 3.709 1.00 39.93 ATOM 571 CA THR 37 -16.541 29.836 1.868 1.00 24.54 ATOM 572 HA THR 37 -15.596 30.183 1.494 1.00 5.54 ATOM 573 CB THR 37 -16.889 28.523 1.141 1.00 52.42 ATOM 574 HB THR 37 -16.844 28.694 0.074 1.00 13.52 ATOM 575 OG1 THR 37 -18.214 28.106 1.491 1.00 44.24 ATOM 576 HG1 THR 37 -18.285 27.926 2.437 1.00 41.24 ATOM 577 CG2 THR 37 -15.896 27.427 1.496 1.00 12.15 ATOM 578 HG21 THR 37 -16.121 26.542 0.919 1.00 22.51 ATOM 579 HG22 THR 37 -15.969 27.194 2.547 1.00 2.51 ATOM 580 HG23 THR 37 -14.892 27.756 1.268 1.00 40.31 ATOM 581 C THR 37 -17.608 30.877 1.554 1.00 73.04 ATOM 582 O THR 37 -17.446 31.691 0.645 1.00 41.33 ATOM 583 N ASP 38 -18.700 30.846 2.310 1.00 24.25 ATOM 584 HN ASP 38 -18.787 30.159 3.012 1.00 39.93 ATOM 585 CA ASP 38 -19.794 31.789 2.113 1.00 12.11 ATOM 586 HA ASP 38 -20.207 31.621 1.127 1.00 34.35 ATOM 587 CB ASP 38 -20.886 31.563 3.160 1.00 22.22 ATOM 588 HB1 ASP 38 -21.603 32.375 3.121 1.00 39.93 ATOM 589 HB2 ASP 38 -20.435 31.535 4.140 1.00 35.24 ATOM 590 CG ASP 38 -21.636 30.264 2.943 1.00 74.35 ATOM 591 OD1 ASP 38 -21.045 29.325 2.369 1.00 43.00 ATOM 592 OD2 ASP 38 -22.815 30.185 3.347 1.00 52.35 ATOM 593 C ASP 38 -19.292 33.228 2.187 1.00 62.43 ATOM 594 O ASP 38 -19.795 34.109 1.490 1.00 14.12 ATOM 595 N LYS 39 -18.296 33.458 3.036 1.00 14.50 ATOM 596 HN LYS 39 -17.939 32.720 3.583 1.00 39.93 ATOM 597 CA LYS 39 -17.725 34.789 3.202 1.00 44.52 ATOM 598 HA LYS 39 -18.530 35.489 3.357 1.00 42.11 ATOM 599 CB LYS 39 -16.812 34.826 4.430 1.00 63.54 ATOM 600 HB1 LYS 39 -16.038 34.080 4.319 1.00 39.93 ATOM 601 HB2 LYS 39 -17.412 34.588 5.297 1.00 73.15 ATOM 602 CG LYS 39 -16.153 36.175 4.659 1.00 54.04 ATOM 603 HG1 LYS 39 -16.888 36.959 4.545 1.00 39.93 ATOM 604 HG2 LYS 39 -15.378 36.293 3.922 1.00 75.10 ATOM 605 CD LYS 39 -15.517 36.259 6.036 1.00 70.52 ATOM 606 HD1 LYS 39 -14.639 36.885 5.970 1.00 39.93 ATOM 607 HD2 LYS 39 -15.225 35.273 6.374 1.00 61.14 ATOM 608 CE LYS 39 -16.469 36.868 7.054 1.00 41.14 ATOM 609 HE1 LYS 39 -17.389 36.299 7.061 1.00 39.93 ATOM 610 HE2 LYS 39 -16.680 37.888 6.768 1.00 32.54 ATOM 611 NZ LYS 39 -15.891 36.862 8.426 1.00 34.02 ATOM 612 HZ1 LYS 39 -15.008 37.414 8.449 1.00 51.14 ATOM 613 HZ2 LYS 39 -15.687 35.887 8.729 1.00 3.02 ATOM 614 HZ3 LYS 39 -16.565 37.284 9.096 1.00 21.55 ATOM 615 C LYS 39 -16.941 35.204 1.960 1.00 31.53 ATOM 616 O LYS 39 -16.782 36.393 1.684 1.00 61.23 ATOM 617 N ILE 40 -16.456 34.216 1.216 1.00 64.21 ATOM 618 HN ILE 40 -16.605 33.292 1.484 1.00 39.93 ATOM 619 CA ILE 40 -15.691 34.479 0.003 1.00 74.41 ATOM 620 HA ILE 40 -14.890 35.168 0.249 1.00 3.32 ATOM 621 CB ILE 40 -15.063 33.189 -0.557 1.00 61.11 ATOM 622 HB ILE 40 -15.854 32.506 -0.817 1.00 51.40 ATOM 623 CG1 ILE 40 -14.160 32.538 0.493 1.00 51.12 ATOM 624 HG11 ILE 40 -14.710 32.391 1.410 1.00 39.93 ATOM 625 HG12 ILE 40 -13.319 33.185 0.689 1.00 12.05 ATOM 626 CG2 ILE 40 -14.278 33.489 -1.825 1.00 52.53 ATOM 627 HG21 ILE 40 -13.285 33.070 -1.783 1.00 31.12 ATOM 628 HG22 ILE 40 -14.194 34.547 -1.986 1.00 21.23 ATOM 629 HG23 ILE 40 -14.801 33.050 -2.661 1.00 1.35 ATOM 630 CD1 ILE 40 -13.621 31.189 0.073 1.00 24.41 ATOM 631 HD11 ILE 40 -14.429 30.573 -0.298 1.00 32.42 ATOM 632 HD12 ILE 40 -13.168 30.702 0.923 1.00 22.00 ATOM 633 HD13 ILE 40 -12.885 31.313 -0.700 1.00 12.24 ATOM 634 C ILE 40 -16.568 35.112 -1.072 1.00 44.24 ATOM 635 O ILE 40 -16.106 35.942 -1.856 1.00 25.30 ATOM 636 N VAL 41 -17.836 34.717 -1.103 1.00 35.11 ATOM 637 HN VAL 41 -18.155 34.035 -0.468 1.00 39.93 ATOM 638 CA VAL 41 -18.779 35.248 -2.080 1.00 13.10 ATOM 639 HA VAL 41 -18.224 35.661 -2.917 1.00 11.21 ATOM 640 CB VAL 41 -19.703 34.144 -2.626 1.00 75.51 ATOM 641 HB VAL 41 -20.360 33.814 -1.830 1.00 12.24 ATOM 642 CG1 VAL 41 -20.564 34.679 -3.760 1.00 12.51 ATOM 643 HG11 VAL 41 -19.936 35.132 -4.515 1.00 65.35 ATOM 644 HG12 VAL 41 -21.258 35.413 -3.380 1.00 4.12 ATOM 645 HG13 VAL 41 -21.125 33.867 -4.205 1.00 12.44 ATOM 646 CG2 VAL 41 -18.887 32.945 -3.086 1.00 42.42 ATOM 647 HG21 VAL 41 -19.557 32.175 -3.431 1.00 14.03 ATOM 648 HG22 VAL 41 -18.302 32.558 -2.264 1.00 4.21 ATOM 649 HG23 VAL 41 -18.228 33.237 -3.892 1.00 44.32 ATOM 650 C VAL 41 -19.633 36.356 -1.474 1.00 11.12 ATOM 651 O VAL 41 -20.137 37.225 -2.185 1.00 24.24 ATOM 652 N ASN 42 -19.791 36.319 -0.155 1.00 13.24 ATOM 653 HN ASN 42 -19.376 35.599 0.370 1.00 39.93 ATOM 654 CA ASN 42 -20.585 37.321 0.548 1.00 23.13 ATOM 655 HA ASN 42 -21.514 37.462 0.006 1.00 44.24 ATOM 656 CB ASN 42 -20.896 36.849 1.970 1.00 1.22 ATOM 657 HB1 ASN 42 -21.016 37.707 2.622 1.00 39.93 ATOM 658 HB2 ASN 42 -20.090 36.250 2.340 1.00 3.33 ATOM 659 CG ASN 42 -22.177 36.040 2.044 1.00 44.43 ATOM 660 OD1 ASN 42 -23.009 36.254 2.925 1.00 52.41 ATOM 661 ND2 ASN 42 -22.339 35.105 1.116 1.00 74.25 ATOM 662 HD21 ASN 42 -21.653 34.958 0.438 1.00 51.25 ATOM 663 HD22 ASN 42 -23.167 34.583 1.149 1.00 24.42 ATOM 664 C ASN 42 -19.855 38.660 0.593 1.00 24.20 ATOM 665 O ASN 42 -20.436 39.707 0.305 1.00 74.41 ATOM 666 N LEU 43 -18.577 38.619 0.955 1.00 33.14 ATOM 667 HN LEU 43 -18.164 37.750 1.178 1.00 39.93 ATOM 668 CA LEU 43 -17.766 39.829 1.037 1.00 32.34 ATOM 669 HA LEU 43 -18.292 40.517 1.677 1.00 55.44 ATOM 670 CB LEU 43 -16.395 39.507 1.633 1.00 5.44 ATOM 671 HB1 LEU 43 -15.678 40.246 1.297 1.00 39.93 ATOM 672 HB2 LEU 43 -16.079 38.554 1.239 1.00 45.24 ATOM 673 CG LEU 43 -16.323 39.448 3.160 1.00 51.13 ATOM 674 HG LEU 43 -17.064 38.753 3.518 1.00 34.35 ATOM 675 CD1 LEU 43 -14.956 38.960 3.611 1.00 24.55 ATOM 676 HD11 LEU 43 -14.207 39.707 3.383 1.00 11.41 ATOM 677 HD12 LEU 43 -14.706 38.044 3.098 1.00 13.21 ATOM 678 HD13 LEU 43 -14.971 38.782 4.676 1.00 33.42 ATOM 679 CD2 LEU 43 -16.630 40.812 3.761 1.00 21.33 ATOM 680 HD21 LEU 43 -16.616 40.738 4.840 1.00 3.34 ATOM 681 HD22 LEU 43 -17.605 41.149 3.448 1.00 32.13 ATOM 682 HD23 LEU 43 -15.882 41.526 3.448 1.00 55.53 ATOM 683 C LEU 43 -17.599 40.466 -0.338 1.00 41.41 ATOM 684 O LEU 43 -17.761 39.820 -1.373 1.00 63.41 ATOM 685 N PRO 44 -17.265 41.765 -0.352 1.00 2.32 ATOM 686 CA PRO 44 -17.065 42.518 -1.594 1.00 13.34 ATOM 687 HA PRO 44 -17.918 42.432 -2.252 1.00 31.50 ATOM 688 CB PRO 44 -16.932 43.966 -1.113 1.00 71.43 ATOM 689 HB1 PRO 44 -17.900 44.443 -1.149 1.00 39.93 ATOM 690 HB2 PRO 44 -16.236 44.517 -1.734 1.00 14.42 ATOM 691 CG PRO 44 -16.444 43.856 0.290 1.00 62.31 ATOM 692 HG1 PRO 44 -16.750 44.717 0.865 1.00 39.93 ATOM 693 HG2 PRO 44 -15.391 43.773 0.264 1.00 1.34 ATOM 694 CD PRO 44 -17.056 42.599 0.844 1.00 23.10 ATOM 695 HD1 PRO 44 -17.994 42.818 1.332 1.00 39.93 ATOM 696 HD2 PRO 44 -16.379 42.149 1.522 1.00 51.55 ATOM 697 C PRO 44 -15.807 42.086 -2.338 1.00 5.13 ATOM 698 O PRO 44 -15.018 41.287 -1.833 1.00 31.15 ATOM 699 N VAL 45 -15.623 42.620 -3.541 1.00 74.34 ATOM 700 HN VAL 45 -16.293 43.253 -3.893 1.00 39.93 ATOM 701 CA VAL 45 -14.459 42.290 -4.355 1.00 11.13 ATOM 702 HA VAL 45 -14.365 41.209 -4.386 1.00 55.12 ATOM 703 CB VAL 45 -14.619 42.804 -5.798 1.00 1.11 ATOM 704 HB VAL 45 -15.570 42.461 -6.178 1.00 20.25 ATOM 705 CG1 VAL 45 -14.616 44.325 -5.827 1.00 30.14 ATOM 706 HG11 VAL 45 -14.892 44.657 -6.817 1.00 51.22 ATOM 707 HG12 VAL 45 -13.632 44.706 -5.591 1.00 53.21 ATOM 708 HG13 VAL 45 -15.330 44.712 -5.115 1.00 73.54 ATOM 709 CG2 VAL 45 -13.519 42.244 -6.687 1.00 73.33 ATOM 710 HG21 VAL 45 -13.505 41.165 -6.615 1.00 31.45 ATOM 711 HG22 VAL 45 -12.559 42.637 -6.386 1.00 25.02 ATOM 712 HG23 VAL 45 -13.712 42.526 -7.712 1.00 74.32 ATOM 713 C VAL 45 -13.186 42.877 -3.756 1.00 12.53 ATOM 714 O VAL 45 -12.088 42.373 -3.989 1.00 23.20 ATOM 715 N ASP 46 -13.342 43.946 -2.982 1.00 44.33 ATOM 716 HN ASP 46 -14.242 44.314 -2.831 1.00 39.93 ATOM 717 CA ASP 46 -12.204 44.603 -2.347 1.00 75.44 ATOM 718 HA ASP 46 -11.383 44.607 -3.054 1.00 24.53 ATOM 719 CB ASP 46 -12.566 46.038 -1.964 1.00 10.33 ATOM 720 HB1 ASP 46 -12.192 46.265 -0.973 1.00 39.93 ATOM 721 HB2 ASP 46 -13.640 46.160 -1.962 1.00 71.52 ATOM 722 CG ASP 46 -11.979 47.058 -2.919 1.00 51.35 ATOM 723 OD1 ASP 46 -12.667 48.058 -3.217 1.00 24.14 ATOM 724 OD2 ASP 46 -10.832 46.858 -3.370 1.00 21.54 ATOM 725 C ASP 46 -11.752 43.831 -1.112 1.00 13.15 ATOM 726 O ASP 46 -10.625 43.339 -1.053 1.00 35.42 ATOM 727 N ASP 47 -12.638 43.731 -0.126 1.00 43.03 ATOM 728 HN ASP 47 -13.516 44.156 -0.230 1.00 39.93 ATOM 729 CA ASP 47 -12.330 43.020 1.109 1.00 61.41 ATOM 730 HA ASP 47 -11.557 43.571 1.627 1.00 11.33 ATOM 731 CB ASP 47 -13.571 42.940 2.000 1.00 62.15 ATOM 732 HB1 ASP 47 -13.343 42.342 2.875 1.00 39.93 ATOM 733 HB2 ASP 47 -14.363 42.469 1.455 1.00 35.25 ATOM 734 CG ASP 47 -14.034 44.304 2.471 1.00 5.50 ATOM 735 OD1 ASP 47 -14.279 44.461 3.686 1.00 52.14 ATOM 736 OD2 ASP 47 -14.149 45.216 1.626 1.00 52.04 ATOM 737 C ASP 47 -11.810 41.616 0.813 1.00 53.23 ATOM 738 O ASP 47 -10.945 41.101 1.521 1.00 44.13 ATOM 739 N PHE 48 -12.345 41.002 -0.237 1.00 52.24 ATOM 740 HN PHE 48 -13.054 41.449 -0.756 1.00 39.93 ATOM 741 CA PHE 48 -11.937 39.657 -0.626 1.00 51.23 ATOM 742 HA PHE 48 -12.075 39.002 0.225 1.00 34.45 ATOM 743 CB PHE 48 -12.805 39.152 -1.780 1.00 74.42 ATOM 744 HB1 PHE 48 -12.826 39.905 -2.557 1.00 39.93 ATOM 745 HB2 PHE 48 -13.811 38.995 -1.416 1.00 14.41 ATOM 746 CG PHE 48 -12.323 37.858 -2.371 1.00 70.40 ATOM 747 CD1 PHE 48 -11.925 37.792 -3.696 1.00 62.34 ATOM 748 HD1 PHE 48 -11.961 38.682 -4.310 1.00 53.54 ATOM 749 CD2 PHE 48 -12.268 36.707 -1.601 1.00 34.00 ATOM 750 HD2 PHE 48 -12.575 36.742 -0.564 1.00 2.14 ATOM 751 CE1 PHE 48 -11.480 36.603 -4.243 1.00 60.31 ATOM 752 HE1 PHE 48 -11.173 36.565 -5.278 1.00 11.41 ATOM 753 CE2 PHE 48 -11.824 35.515 -2.142 1.00 52.40 ATOM 754 HE2 PHE 48 -11.798 34.639 -1.530 1.00 2.44 ATOM 755 CZ PHE 48 -11.431 35.463 -3.465 1.00 23.20 ATOM 756 HZ PHE 48 -11.084 34.533 -3.890 1.00 1.11 ATOM 757 C PHE 48 -10.466 39.631 -1.032 1.00 54.12 ATOM 758 O PHE 48 -9.686 38.826 -0.526 1.00 72.11 ATOM 759 N ASN 49 -10.096 40.518 -1.950 1.00 53.31 ATOM 760 HN ASN 49 -10.770 41.136 -2.322 1.00 39.93 ATOM 761 CA ASN 49 -8.720 40.597 -2.426 1.00 22.13 ATOM 762 HA ASN 49 -8.498 39.680 -2.956 1.00 70.15 ATOM 763 CB ASN 49 -8.553 41.787 -3.372 1.00 44.42 ATOM 764 HB1 ASN 49 -7.502 42.038 -3.462 1.00 39.93 ATOM 765 HB2 ASN 49 -9.082 42.638 -2.966 1.00 1.33 ATOM 766 CG ASN 49 -9.082 41.498 -4.764 1.00 2.53 ATOM 767 OD1 ASN 49 -8.927 40.392 -5.282 1.00 1.44 ATOM 768 ND2 ASN 49 -9.710 42.495 -5.376 1.00 55.11 ATOM 769 HD21 ASN 49 -9.804 43.359 -4.914 1.00 5.13 ATOM 770 HD22 ASN 49 -10.060 42.328 -6.276 1.00 73.43 ATOM 771 C ASN 49 -7.747 40.721 -1.257 1.00 42.33 ATOM 772 O ASN 49 -6.630 40.207 -1.310 1.00 11.20 ATOM 773 N GLU 50 -8.180 41.407 -0.204 1.00 21.22 ATOM 774 HN GLU 50 -9.076 41.817 -0.217 1.00 39.93 ATOM 775 CA GLU 50 -7.347 41.598 0.977 1.00 5.43 ATOM 776 HA GLU 50 -6.312 41.680 0.663 1.00 72.31 ATOM 777 CB GLU 50 -7.741 42.886 1.704 1.00 40.13 ATOM 778 HB1 GLU 50 -7.237 42.915 2.665 1.00 39.93 ATOM 779 HB2 GLU 50 -8.809 42.879 1.868 1.00 41.14 ATOM 780 CG GLU 50 -7.387 44.150 0.938 1.00 61.21 ATOM 781 HG1 GLU 50 -8.134 44.312 0.175 1.00 39.93 ATOM 782 HG2 GLU 50 -6.418 44.026 0.471 1.00 20.22 ATOM 783 CD GLU 50 -7.333 45.376 1.829 1.00 71.24 ATOM 784 OE1 GLU 50 -6.406 46.194 1.657 1.00 41.41 ATOM 785 OE2 GLU 50 -8.219 45.516 2.697 1.00 11.45 ATOM 786 C GLU 50 -7.466 40.409 1.926 1.00 2.31 ATOM 787 O GLU 50 -6.555 40.130 2.707 1.00 14.04 ATOM 788 N LEU 51 -8.594 39.713 1.853 1.00 75.42 ATOM 789 HN LEU 51 -9.305 40.006 1.253 1.00 39.93 ATOM 790 CA LEU 51 -8.835 38.553 2.705 1.00 3.20 ATOM 791 HA LEU 51 -8.740 38.867 3.732 1.00 20.31 ATOM 792 CB LEU 51 -10.253 38.022 2.489 1.00 22.02 ATOM 793 HB1 LEU 51 -10.348 37.749 1.449 1.00 39.93 ATOM 794 HB2 LEU 51 -10.948 38.827 2.688 1.00 23.23 ATOM 795 CG LEU 51 -10.652 36.812 3.335 1.00 53.14 ATOM 796 HG LEU 51 -9.895 36.047 3.254 1.00 42.02 ATOM 797 CD1 LEU 51 -10.767 37.200 4.801 1.00 72.14 ATOM 798 HD11 LEU 51 -11.039 36.332 5.386 1.00 61.03 ATOM 799 HD12 LEU 51 -11.525 37.963 4.919 1.00 52.12 ATOM 800 HD13 LEU 51 -9.818 37.580 5.151 1.00 52.11 ATOM 801 CD2 LEU 51 -11.962 36.220 2.833 1.00 5.14 ATOM 802 HD21 LEU 51 -12.219 35.352 3.425 1.00 11.43 ATOM 803 HD22 LEU 51 -11.853 35.924 1.799 1.00 55.42 ATOM 804 HD23 LEU 51 -12.751 36.956 2.914 1.00 11.23 ATOM 805 C LEU 51 -7.818 37.451 2.424 1.00 13.02 ATOM 806 O LEU 51 -7.480 36.664 3.309 1.00 24.20 ATOM 807 N LEU 52 -7.333 37.402 1.188 1.00 35.44 ATOM 808 HN LEU 52 -7.649 38.044 0.511 1.00 39.93 ATOM 809 CA LEU 52 -6.353 36.397 0.791 1.00 51.12 ATOM 810 HA LEU 52 -6.734 35.428 1.075 1.00 54.14 ATOM 811 CB LEU 52 -6.153 36.423 -0.725 1.00 40.55 ATOM 812 HB1 LEU 52 -5.312 35.797 -0.968 1.00 39.93 ATOM 813 HB2 LEU 52 -5.902 37.441 -0.998 1.00 73.13 ATOM 814 CG LEU 52 -7.347 35.975 -1.568 1.00 74.40 ATOM 815 HG LEU 52 -8.254 36.399 -1.159 1.00 43.43 ATOM 816 CD1 LEU 52 -7.208 36.471 -2.999 1.00 13.43 ATOM 817 HD11 LEU 52 -6.314 36.056 -3.445 1.00 64.13 ATOM 818 HD12 LEU 52 -7.142 37.550 -3.003 1.00 32.32 ATOM 819 HD13 LEU 52 -8.071 36.166 -3.575 1.00 35.30 ATOM 820 CD2 LEU 52 -7.481 34.459 -1.538 1.00 55.15 ATOM 821 HD21 LEU 52 -6.548 34.001 -1.840 1.00 63.42 ATOM 822 HD22 LEU 52 -8.256 34.166 -2.223 1.00 13.14 ATOM 823 HD23 LEU 52 -7.734 34.138 -0.539 1.00 63.33 ATOM 824 C LEU 52 -5.020 36.628 1.495 1.00 11.53 ATOM 825 O LEU 52 -4.401 35.691 1.997 1.00 32.23 ATOM 826 N ALA 53 -4.585 37.884 1.530 1.00 71.20 ATOM 827 HN ALA 53 -5.124 38.598 1.112 1.00 39.93 ATOM 828 CA ALA 53 -3.328 38.239 2.177 1.00 51.04 ATOM 829 HA ALA 53 -2.602 37.460 1.975 1.00 14.24 ATOM 830 CB ALA 53 -2.785 39.537 1.598 1.00 53.30 ATOM 831 HB1 ALA 53 -1.825 39.761 2.043 1.00 43.32 ATOM 832 HB2 ALA 53 -3.475 40.344 1.803 1.00 63.54 ATOM 833 HB3 ALA 53 -2.668 39.430 0.530 1.00 65.31 ATOM 834 C ALA 53 -3.503 38.363 3.686 1.00 32.04 ATOM 835 O ALA 53 -2.545 38.217 4.446 1.00 74.41 ATOM 836 N ARG 54 -4.732 38.634 4.115 1.00 43.14 ATOM 837 HN ARG 54 -5.461 38.757 3.465 1.00 39.93 ATOM 838 CA ARG 54 -5.031 38.780 5.534 1.00 73.30 ATOM 839 HA ARG 54 -4.358 39.524 5.946 1.00 21.43 ATOM 840 CB ARG 54 -6.477 39.241 5.727 1.00 31.22 ATOM 841 HB1 ARG 54 -6.863 38.834 6.657 1.00 39.93 ATOM 842 HB2 ARG 54 -7.078 38.868 4.916 1.00 42.03 ATOM 843 CG ARG 54 -6.632 40.752 5.783 1.00 72.21 ATOM 844 HG1 ARG 54 -6.354 41.174 4.832 1.00 39.93 ATOM 845 HG2 ARG 54 -5.981 41.142 6.553 1.00 72.20 ATOM 846 CD ARG 54 -8.062 41.153 6.109 1.00 52.43 ATOM 847 HD1 ARG 54 -8.231 41.007 7.166 1.00 39.93 ATOM 848 HD2 ARG 54 -8.742 40.524 5.545 1.00 62.23 ATOM 849 NE ARG 54 -8.328 42.550 5.774 1.00 75.33 ATOM 850 HE ARG 54 -7.566 43.112 5.499 1.00 3.24 ATOM 851 CZ ARG 54 -9.537 43.100 5.823 1.00 24.11 ATOM 852 NH1 ARG 54 -10.584 42.375 6.192 1.00 1.52 ATOM 853 HH11 ARG 54 -10.490 41.413 6.440 1.00 65.13 ATOM 854 HH12 ARG 54 -11.492 42.798 6.225 1.00 74.53 ATOM 855 NH2 ARG 54 -9.699 44.377 5.503 1.00 3.43 ATOM 856 HH21 ARG 54 -8.911 44.930 5.224 1.00 75.32 ATOM 857 HH22 ARG 54 -10.610 44.794 5.539 1.00 51.44 ATOM 858 C ARG 54 -4.802 37.466 6.276 1.00 43.14 ATOM 859 O ARG 54 -4.327 37.458 7.412 1.00 75.41 ATOM 860 N TYR 55 -5.142 36.359 5.626 1.00 65.34 ATOM 861 HN TYR 55 -5.520 36.417 4.718 1.00 39.93 ATOM 862 CA TYR 55 -4.975 35.040 6.224 1.00 34.42 ATOM 863 HA TYR 55 -4.832 35.167 7.291 1.00 15.14 ATOM 864 CB TYR 55 -6.228 34.192 5.996 1.00 22.42 ATOM 865 HB1 TYR 55 -5.998 33.143 6.133 1.00 39.93 ATOM 866 HB2 TYR 55 -6.563 34.335 4.976 1.00 24.23 ATOM 867 CG TYR 55 -7.376 34.548 6.914 1.00 64.24 ATOM 868 CD1 TYR 55 -7.692 33.748 8.005 1.00 73.01 ATOM 869 HD1 TYR 55 -7.099 32.871 8.205 1.00 33.33 ATOM 870 CD2 TYR 55 -8.144 35.683 6.689 1.00 40.30 ATOM 871 HD2 TYR 55 -7.914 36.318 5.844 1.00 22.43 ATOM 872 CE1 TYR 55 -8.740 34.069 8.846 1.00 55.04 ATOM 873 HE1 TYR 55 -8.970 33.434 9.689 1.00 54.00 ATOM 874 CE2 TYR 55 -9.193 36.013 7.525 1.00 20.11 ATOM 875 HE2 TYR 55 -9.776 36.901 7.337 1.00 13.22 ATOM 876 CZ TYR 55 -9.487 35.203 8.602 1.00 75.42 ATOM 877 OH TYR 55 -10.533 35.527 9.436 1.00 25.33 ATOM 878 HH TYR 55 -11.370 35.352 8.994 1.00 42.22 ATOM 879 C TYR 55 -3.755 34.329 5.647 1.00 4.42 ATOM 880 O TYR 55 -3.288 34.635 4.550 1.00 63.33 ATOM 881 N PRO 56 -3.225 33.357 6.404 1.00 4.10 ATOM 882 CA PRO 56 -2.052 32.581 5.989 1.00 11.21 ATOM 883 HA PRO 56 -1.225 33.224 5.722 1.00 12.53 ATOM 884 CB PRO 56 -1.695 31.779 7.243 1.00 15.22 ATOM 885 HB1 PRO 56 -0.960 32.326 7.814 1.00 39.93 ATOM 886 HB2 PRO 56 -1.294 30.806 6.989 1.00 65.01 ATOM 887 CG PRO 56 -2.975 31.669 7.999 1.00 63.23 ATOM 888 HG1 PRO 56 -2.771 31.576 9.055 1.00 39.93 ATOM 889 HG2 PRO 56 -3.537 30.816 7.648 1.00 23.14 ATOM 890 CD PRO 56 -3.729 32.940 7.723 1.00 75.21 ATOM 891 HD1 PRO 56 -3.502 33.682 8.475 1.00 39.93 ATOM 892 HD2 PRO 56 -4.783 32.738 7.704 1.00 25.41 ATOM 893 C PRO 56 -2.359 31.644 4.827 1.00 72.55 ATOM 894 O PRO 56 -2.572 30.446 5.021 1.00 72.00 ATOM 895 N LEU 57 -2.380 32.194 3.618 1.00 52.51 ATOM 896 HN LEU 57 -2.197 33.156 3.516 1.00 39.93 ATOM 897 CA LEU 57 -2.661 31.407 2.423 1.00 62.53 ATOM 898 HA LEU 57 -2.912 30.401 2.716 1.00 25.31 ATOM 899 CB LEU 57 -3.857 31.992 1.671 1.00 53.50 ATOM 900 HB1 LEU 57 -4.124 31.309 0.876 1.00 39.93 ATOM 901 HB2 LEU 57 -3.552 32.931 1.236 1.00 2.24 ATOM 902 CG LEU 57 -5.104 32.276 2.510 1.00 61.40 ATOM 903 HG LEU 57 -4.885 33.069 3.211 1.00 73.13 ATOM 904 CD1 LEU 57 -6.250 32.737 1.624 1.00 74.24 ATOM 905 HD11 LEU 57 -6.602 31.909 1.034 1.00 64.14 ATOM 906 HD12 LEU 57 -5.905 33.519 0.963 1.00 44.13 ATOM 907 HD13 LEU 57 -7.047 33.115 2.227 1.00 60.23 ATOM 908 CD2 LEU 57 -5.504 31.041 3.304 1.00 74.43 ATOM 909 HD21 LEU 57 -6.418 31.240 3.847 1.00 52.31 ATOM 910 HD22 LEU 57 -4.736 30.784 4.004 1.00 51.23 ATOM 911 HD23 LEU 57 -5.668 30.212 2.630 1.00 13.34 ATOM 912 C LEU 57 -1.444 31.357 1.505 1.00 44.22 ATOM 913 O LEU 57 -0.789 32.373 1.267 1.00 12.13 ATOM 914 N THR 58 -1.146 30.169 0.989 1.00 63.34 ATOM 915 HN THR 58 -1.687 29.384 1.229 1.00 39.93 ATOM 916 CA THR 58 -0.008 29.987 0.096 1.00 73.42 ATOM 917 HA THR 58 0.696 30.801 0.244 1.00 62.14 ATOM 918 CB THR 58 0.723 28.661 0.381 1.00 52.13 ATOM 919 HB THR 58 1.305 28.366 -0.485 1.00 64.44 ATOM 920 OG1 THR 58 -0.227 27.630 0.669 1.00 35.44 ATOM 921 HG1 THR 58 -0.431 27.144 -0.135 1.00 33.04 ATOM 922 CG2 THR 58 1.684 28.814 1.550 1.00 61.22 ATOM 923 HG21 THR 58 2.420 29.571 1.318 1.00 12.31 ATOM 924 HG22 THR 58 2.183 27.873 1.729 1.00 21.22 ATOM 925 HG23 THR 58 1.135 29.103 2.435 1.00 42.12 ATOM 926 C THR 58 -0.446 30.009 -1.364 1.00 73.42 ATOM 927 O THR 58 -1.639 30.066 -1.663 1.00 24.04 ATOM 928 N GLU 59 0.526 29.962 -2.270 1.00 31.13 ATOM 929 HN GLU 59 1.466 29.928 -1.969 1.00 39.93 ATOM 930 CA GLU 59 0.239 29.977 -3.699 1.00 73.32 ATOM 931 HA GLU 59 -0.252 30.909 -3.929 1.00 40.54 ATOM 932 CB GLU 59 1.536 29.869 -4.504 1.00 12.13 ATOM 933 HB1 GLU 59 1.312 29.548 -5.516 1.00 39.93 ATOM 934 HB2 GLU 59 2.172 29.127 -4.041 1.00 11.14 ATOM 935 CG GLU 59 2.314 31.172 -4.581 1.00 71.21 ATOM 936 HG1 GLU 59 3.307 30.958 -4.949 1.00 39.93 ATOM 937 HG2 GLU 59 2.387 31.602 -3.591 1.00 61.01 ATOM 938 CD GLU 59 1.665 32.185 -5.503 1.00 52.35 ATOM 939 OE1 GLU 59 2.197 32.404 -6.612 1.00 2.22 ATOM 940 OE2 GLU 59 0.625 32.759 -5.118 1.00 3.35 ATOM 941 C GLU 59 -0.703 28.837 -4.077 1.00 30.22 ATOM 942 O GLU 59 -1.424 28.916 -5.072 1.00 5.43 ATOM 943 N SER 60 -0.690 27.777 -3.275 1.00 75.42 ATOM 944 HN SER 60 -0.066 27.736 -2.518 1.00 39.93 ATOM 945 CA SER 60 -1.539 26.618 -3.527 1.00 15.02 ATOM 946 HA SER 60 -1.631 26.481 -4.598 1.00 70.22 ATOM 947 CB SER 60 -0.909 25.358 -2.930 1.00 50.14 ATOM 948 HB1 SER 60 -1.535 24.503 -3.145 1.00 39.93 ATOM 949 HB2 SER 60 -0.813 25.474 -1.860 1.00 62.24 ATOM 950 OG SER 60 0.378 25.125 -3.476 1.00 31.33 ATOM 951 HG SER 60 0.820 24.437 -2.973 1.00 52.54 ATOM 952 C SER 60 -2.933 26.829 -2.942 1.00 70.45 ATOM 953 O SER 60 -3.915 26.276 -3.438 1.00 4.00 ATOM 954 N GLN 61 -3.010 27.631 -1.886 1.00 43.51 ATOM 955 HN GLN 61 -2.197 28.027 -1.513 1.00 39.93 ATOM 956 CA GLN 61 -4.282 27.915 -1.233 1.00 74.23 ATOM 957 HA GLN 61 -4.894 27.021 -1.263 1.00 1.33 ATOM 958 CB GLN 61 -4.055 28.300 0.230 1.00 62.25 ATOM 959 HB1 GLN 61 -5.008 28.571 0.671 1.00 39.93 ATOM 960 HB2 GLN 61 -3.403 29.153 0.265 1.00 30.25 ATOM 961 CG GLN 61 -3.449 27.184 1.065 1.00 21.32 ATOM 962 HG1 GLN 61 -2.450 26.999 0.724 1.00 39.93 ATOM 963 HG2 GLN 61 -4.040 26.290 0.931 1.00 31.03 ATOM 964 CD GLN 61 -3.410 27.517 2.544 1.00 71.14 ATOM 965 OE1 GLN 61 -2.474 28.158 3.023 1.00 73.40 ATOM 966 NE2 GLN 61 -4.429 27.083 3.275 1.00 35.35 ATOM 967 HE21 GLN 61 -5.150 26.575 2.838 1.00 53.12 ATOM 968 HE22 GLN 61 -4.422 27.288 4.233 1.00 63.02 ATOM 969 C GLN 61 -5.028 29.032 -1.955 1.00 43.45 ATOM 970 O GLN 61 -6.195 28.881 -2.319 1.00 21.14 ATOM 971 N LEU 62 -4.347 30.154 -2.161 1.00 3.43 ATOM 972 HN LEU 62 -3.416 30.213 -1.849 1.00 39.93 ATOM 973 CA LEU 62 -4.944 31.299 -2.840 1.00 34.23 ATOM 974 HA LEU 62 -5.727 31.690 -2.205 1.00 2.30 ATOM 975 CB LEU 62 -3.893 32.385 -3.071 1.00 51.55 ATOM 976 HB1 LEU 62 -4.231 33.001 -3.899 1.00 39.93 ATOM 977 HB2 LEU 62 -2.972 31.904 -3.380 1.00 34.14 ATOM 978 CG LEU 62 -3.605 33.305 -1.884 1.00 23.40 ATOM 979 HG LEU 62 -4.451 33.305 -1.209 1.00 2.43 ATOM 980 CD1 LEU 62 -2.394 32.810 -1.108 1.00 1.11 ATOM 981 HD11 LEU 62 -1.540 32.732 -1.767 1.00 73.21 ATOM 982 HD12 LEU 62 -2.621 31.851 -0.699 1.00 45.04 ATOM 983 HD13 LEU 62 -2.170 33.501 -0.309 1.00 52.40 ATOM 984 CD2 LEU 62 -3.390 34.735 -2.357 1.00 2.05 ATOM 985 HD21 LEU 62 -4.273 35.081 -2.876 1.00 22.13 ATOM 986 HD22 LEU 62 -2.542 34.775 -3.027 1.00 72.22 ATOM 987 HD23 LEU 62 -3.204 35.375 -1.505 1.00 0.40 ATOM 988 C LEU 62 -5.562 30.881 -4.170 1.00 72.12 ATOM 989 O LEU 62 -6.598 31.405 -4.577 1.00 15.43 ATOM 990 N ALA 63 -4.920 29.932 -4.843 1.00 25.21 ATOM 991 HN ALA 63 -4.078 29.564 -4.485 1.00 39.93 ATOM 992 CA ALA 63 -5.408 29.440 -6.125 1.00 50.22 ATOM 993 HA ALA 63 -5.419 30.268 -6.822 1.00 42.13 ATOM 994 CB ALA 63 -4.469 28.377 -6.675 1.00 70.31 ATOM 995 HB1 ALA 63 -4.808 28.061 -7.652 1.00 23.42 ATOM 996 HB2 ALA 63 -4.450 27.527 -6.007 1.00 74.01 ATOM 997 HB3 ALA 63 -3.474 28.788 -6.758 1.00 73.21 ATOM 998 C ALA 63 -6.822 28.885 -5.998 1.00 35.25 ATOM 999 O ALA 63 -7.642 29.031 -6.905 1.00 54.50 ATOM 1000 N LEU 64 -7.102 28.246 -4.867 1.00 14.32 ATOM 1001 HN LEU 64 -6.407 28.148 -4.176 1.00 39.93 ATOM 1002 CA LEU 64 -8.419 27.668 -4.620 1.00 63.24 ATOM 1003 HA LEU 64 -8.761 27.190 -5.530 1.00 72.24 ATOM 1004 CB LEU 64 -8.335 26.611 -3.518 1.00 62.41 ATOM 1005 HB1 LEU 64 -7.898 27.094 -2.655 1.00 39.93 ATOM 1006 HB2 LEU 64 -7.645 25.842 -3.848 1.00 40.40 ATOM 1007 CG LEU 64 -9.657 25.959 -3.111 1.00 1.44 ATOM 1008 HG LEU 64 -10.484 26.624 -3.311 1.00 15.21 ATOM 1009 CD1 LEU 64 -9.897 24.691 -3.914 1.00 70.31 ATOM 1010 HD11 LEU 64 -10.952 24.534 -4.002 1.00 63.31 ATOM 1011 HD12 LEU 64 -9.441 23.836 -3.432 1.00 52.44 ATOM 1012 HD13 LEU 64 -9.481 24.797 -4.909 1.00 53.44 ATOM 1013 CD2 LEU 64 -9.665 25.658 -1.619 1.00 74.20 ATOM 1014 HD21 LEU 64 -9.526 24.607 -1.447 1.00 21.13 ATOM 1015 HD22 LEU 64 -10.621 25.949 -1.212 1.00 51.51 ATOM 1016 HD23 LEU 64 -8.889 26.209 -1.103 1.00 10.33 ATOM 1017 C LEU 64 -9.424 28.747 -4.230 1.00 45.03 ATOM 1018 O LEU 64 -10.523 28.815 -4.781 1.00 5.22 ATOM 1019 N VAL 65 -9.038 29.591 -3.278 1.00 72.21 ATOM 1020 HN VAL 65 -8.139 29.491 -2.896 1.00 39.93 ATOM 1021 CA VAL 65 -9.904 30.669 -2.816 1.00 44.44 ATOM 1022 HA VAL 65 -10.745 30.225 -2.303 1.00 43.44 ATOM 1023 CB VAL 65 -9.168 31.597 -1.832 1.00 5.24 ATOM 1024 HB VAL 65 -8.374 32.089 -2.368 1.00 32.41 ATOM 1025 CG1 VAL 65 -10.116 32.650 -1.279 1.00 32.35 ATOM 1026 HG11 VAL 65 -11.030 32.188 -0.945 1.00 41.24 ATOM 1027 HG12 VAL 65 -10.330 33.354 -2.055 1.00 34.51 ATOM 1028 HG13 VAL 65 -9.655 33.168 -0.449 1.00 53.14 ATOM 1029 CG2 VAL 65 -8.540 30.789 -0.706 1.00 34.41 ATOM 1030 HG21 VAL 65 -9.243 30.053 -0.338 1.00 32.13 ATOM 1031 HG22 VAL 65 -8.268 31.445 0.100 1.00 71.23 ATOM 1032 HG23 VAL 65 -7.657 30.294 -1.063 1.00 64.34 ATOM 1033 C VAL 65 -10.422 31.497 -3.987 1.00 1.52 ATOM 1034 O VAL 65 -11.539 32.013 -3.949 1.00 52.11 ATOM 1035 N ARG 66 -9.603 31.620 -5.026 1.00 42.31 ATOM 1036 HN ARG 66 -8.706 31.215 -4.995 1.00 39.93 ATOM 1037 CA ARG 66 -9.978 32.387 -6.208 1.00 71.43 ATOM 1038 HA ARG 66 -10.399 33.333 -5.884 1.00 23.43 ATOM 1039 CB ARG 66 -8.748 32.661 -7.076 1.00 74.31 ATOM 1040 HB1 ARG 66 -9.077 32.967 -8.062 1.00 39.93 ATOM 1041 HB2 ARG 66 -8.179 31.746 -7.169 1.00 3.13 ATOM 1042 CG ARG 66 -7.831 33.732 -6.511 1.00 4.13 ATOM 1043 HG1 ARG 66 -7.181 33.292 -5.779 1.00 39.93 ATOM 1044 HG2 ARG 66 -8.425 34.507 -6.045 1.00 3.43 ATOM 1045 CD ARG 66 -6.982 34.370 -7.599 1.00 64.45 ATOM 1046 HD1 ARG 66 -6.427 33.597 -8.115 1.00 39.93 ATOM 1047 HD2 ARG 66 -6.288 35.056 -7.134 1.00 43.14 ATOM 1048 NE ARG 66 -7.793 35.102 -8.568 1.00 71.10 ATOM 1049 HE ARG 66 -8.773 35.079 -8.463 1.00 71.21 ATOM 1050 CZ ARG 66 -7.283 35.798 -9.578 1.00 24.03 ATOM 1051 NH1 ARG 66 -5.969 35.856 -9.750 1.00 73.43 ATOM 1052 HH11 ARG 66 -5.343 35.383 -9.131 1.00 33.33 ATOM 1053 HH12 ARG 66 -5.592 36.383 -10.515 1.00 54.52 ATOM 1054 NH2 ARG 66 -8.086 36.438 -10.417 1.00 73.25 ATOM 1055 HH21 ARG 66 -9.080 36.399 -10.292 1.00 1.44 ATOM 1056 HH22 ARG 66 -7.703 36.964 -11.179 1.00 12.43 ATOM 1057 C ARG 66 -11.034 31.646 -7.023 1.00 53.14 ATOM 1058 O ARG 66 -11.929 32.261 -7.604 1.00 44.43 ATOM 1059 N ASP 67 -10.924 30.323 -7.062 1.00 61.20 ATOM 1060 HN ASP 67 -10.179 29.882 -6.595 1.00 39.93 ATOM 1061 CA ASP 67 -11.869 29.498 -7.805 1.00 54.03 ATOM 1062 HA ASP 67 -12.014 29.955 -8.778 1.00 64.11 ATOM 1063 CB ASP 67 -11.310 28.087 -7.992 1.00 75.34 ATOM 1064 HB1 ASP 67 -11.390 27.533 -7.066 1.00 39.93 ATOM 1065 HB2 ASP 67 -10.268 28.156 -8.270 1.00 24.50 ATOM 1066 CG ASP 67 -12.034 27.317 -9.079 1.00 73.34 ATOM 1067 OD1 ASP 67 -12.895 27.915 -9.758 1.00 51.42 ATOM 1068 OD2 ASP 67 -11.739 26.116 -9.252 1.00 35.21 ATOM 1069 C ASP 67 -13.215 29.435 -7.090 1.00 31.14 ATOM 1070 O ASP 67 -14.269 29.542 -7.718 1.00 3.32 ATOM 1071 N ILE 68 -13.172 29.259 -5.773 1.00 44.13 ATOM 1072 HN ILE 68 -12.297 29.200 -5.328 1.00 39.93 ATOM 1073 CA ILE 68 -14.387 29.182 -4.973 1.00 34.31 ATOM 1074 HA ILE 68 -14.907 28.272 -5.244 1.00 54.23 ATOM 1075 CB ILE 68 -14.068 29.131 -3.467 1.00 41.32 ATOM 1076 HB ILE 68 -13.542 30.040 -3.203 1.00 42.33 ATOM 1077 CG1 ILE 68 -13.181 27.925 -3.152 1.00 31.11 ATOM 1078 HG11 ILE 68 -12.413 27.813 -3.892 1.00 39.93 ATOM 1079 HG12 ILE 68 -13.784 27.027 -3.151 1.00 34.12 ATOM 1080 CG2 ILE 68 -15.353 29.078 -2.655 1.00 21.25 ATOM 1081 HG21 ILE 68 -15.987 28.280 -3.020 1.00 34.10 ATOM 1082 HG22 ILE 68 -15.877 30.018 -2.731 1.00 11.54 ATOM 1083 HG23 ILE 68 -15.120 28.896 -1.614 1.00 42.42 ATOM 1084 CD1 ILE 68 -12.497 28.013 -1.805 1.00 53.15 ATOM 1085 HD11 ILE 68 -12.949 28.785 -1.195 1.00 25.32 ATOM 1086 HD12 ILE 68 -11.452 28.236 -1.948 1.00 74.02 ATOM 1087 HD13 ILE 68 -12.588 27.063 -1.299 1.00 72.20 ATOM 1088 C ILE 68 -15.303 30.370 -5.247 1.00 61.14 ATOM 1089 O ILE 68 -16.521 30.219 -5.343 1.00 61.13 ATOM 1090 N ARG 69 -14.708 31.551 -5.375 1.00 2.43 ATOM 1091 HN ARG 69 -13.728 31.615 -5.285 1.00 39.93 ATOM 1092 CA ARG 69 -15.470 32.766 -5.639 1.00 65.01 ATOM 1093 HA ARG 69 -16.301 32.803 -4.945 1.00 73.25 ATOM 1094 CB ARG 69 -14.593 34.001 -5.423 1.00 65.31 ATOM 1095 HB1 ARG 69 -13.817 34.012 -6.180 1.00 39.93 ATOM 1096 HB2 ARG 69 -14.127 33.937 -4.459 1.00 75.45 ATOM 1097 CG ARG 69 -15.357 35.312 -5.499 1.00 74.11 ATOM 1098 HG1 ARG 69 -16.005 35.387 -4.638 1.00 39.93 ATOM 1099 HG2 ARG 69 -15.952 35.332 -6.401 1.00 24.01 ATOM 1100 CD ARG 69 -14.416 36.506 -5.510 1.00 51.14 ATOM 1101 HD1 ARG 69 -13.485 36.244 -5.995 1.00 39.93 ATOM 1102 HD2 ARG 69 -14.222 36.773 -4.486 1.00 4.54 ATOM 1103 NE ARG 69 -15.007 37.663 -6.178 1.00 71.31 ATOM 1104 HE ARG 69 -15.407 38.357 -5.608 1.00 55.24 ATOM 1105 CZ ARG 69 -15.029 37.818 -7.497 1.00 73.22 ATOM 1106 NH1 ARG 69 -14.497 36.895 -8.286 1.00 24.54 ATOM 1107 HH11 ARG 69 -14.076 36.071 -7.918 1.00 4.02 ATOM 1108 HH12 ARG 69 -14.517 37.025 -9.280 1.00 3.23 ATOM 1109 NH2 ARG 69 -15.586 38.898 -8.030 1.00 43.21 ATOM 1110 HH21 ARG 69 -15.988 39.599 -7.438 1.00 15.21 ATOM 1111 HH22 ARG 69 -15.607 39.017 -9.025 1.00 2.13 ATOM 1112 C ARG 69 -16.021 32.763 -7.062 1.00 3.10 ATOM 1113 O ARG 69 -17.113 33.271 -7.316 1.00 73.50 ATOM 1114 N ARG 70 -15.257 32.189 -7.986 1.00 31.23 ATOM 1115 HN ARG 70 -14.381 31.821 -7.733 1.00 39.93 ATOM 1116 CA ARG 70 -15.668 32.122 -9.383 1.00 30.41 ATOM 1117 HA ARG 70 -15.874 33.128 -9.724 1.00 12.30 ATOM 1118 CB ARG 70 -14.545 31.533 -10.239 1.00 51.32 ATOM 1119 HB1 ARG 70 -14.334 30.532 -9.895 1.00 39.93 ATOM 1120 HB2 ARG 70 -13.654 32.132 -10.110 1.00 62.24 ATOM 1121 CG ARG 70 -14.886 31.453 -11.718 1.00 64.33 ATOM 1122 HG1 ARG 70 -15.912 31.148 -11.860 1.00 39.93 ATOM 1123 HG2 ARG 70 -14.238 30.718 -12.173 1.00 1.32 ATOM 1124 CD ARG 70 -14.655 32.784 -12.416 1.00 74.03 ATOM 1125 HD1 ARG 70 -14.346 32.595 -13.434 1.00 39.93 ATOM 1126 HD2 ARG 70 -13.863 33.326 -11.912 1.00 65.45 ATOM 1127 NE ARG 70 -15.856 33.616 -12.418 1.00 61.31 ATOM 1128 HE ARG 70 -15.902 34.343 -11.759 1.00 2.02 ATOM 1129 CZ ARG 70 -16.872 33.438 -13.256 1.00 4.25 ATOM 1130 NH1 ARG 70 -16.832 32.463 -14.153 1.00 53.44 ATOM 1131 HH11 ARG 70 -16.054 31.845 -14.220 1.00 63.22 ATOM 1132 HH12 ARG 70 -17.603 32.340 -14.782 1.00 51.10 ATOM 1133 NH2 ARG 70 -17.930 34.236 -13.195 1.00 41.45 ATOM 1134 HH21 ARG 70 -17.966 34.974 -12.518 1.00 12.22 ATOM 1135 HH22 ARG 70 -18.698 34.105 -13.826 1.00 44.10 ATOM 1136 C ARG 70 -16.933 31.283 -9.538 1.00 31.44 ATOM 1137 O ARG 70 -17.887 31.696 -10.197 1.00 71.20 ATOM 1138 N ARG 71 -16.933 30.103 -8.926 1.00 61.41 ATOM 1139 HN ARG 71 -16.142 29.827 -8.404 1.00 39.93 ATOM 1140 CA ARG 71 -18.079 29.205 -8.997 1.00 75.14 ATOM 1141 HA ARG 71 -18.490 29.251 -9.996 1.00 13.12 ATOM 1142 CB ARG 71 -17.648 27.768 -8.698 1.00 74.13 ATOM 1143 HB1 ARG 71 -18.525 27.149 -8.547 1.00 39.93 ATOM 1144 HB2 ARG 71 -17.066 27.769 -7.787 1.00 3.11 ATOM 1145 CG ARG 71 -16.799 27.146 -9.795 1.00 1.24 ATOM 1146 HG1 ARG 71 -16.384 26.218 -9.429 1.00 39.93 ATOM 1147 HG2 ARG 71 -15.996 27.822 -10.053 1.00 73.32 ATOM 1148 CD ARG 71 -17.621 26.858 -11.041 1.00 34.13 ATOM 1149 HD1 ARG 71 -16.971 26.426 -11.788 1.00 39.93 ATOM 1150 HD2 ARG 71 -18.017 27.791 -11.412 1.00 4.44 ATOM 1151 NE ARG 71 -18.715 25.928 -10.772 1.00 25.51 ATOM 1152 HE ARG 71 -18.671 25.391 -9.946 1.00 31.21 ATOM 1153 CZ ARG 71 -19.756 25.764 -11.580 1.00 62.23 ATOM 1154 NH1 ARG 71 -19.845 26.464 -12.703 1.00 5.14 ATOM 1155 HH11 ARG 71 -19.143 27.119 -12.969 1.00 21.22 ATOM 1156 HH12 ARG 71 -20.637 26.334 -13.304 1.00 51.13 ATOM 1157 NH2 ARG 71 -20.711 24.898 -11.267 1.00 22.41 ATOM 1158 HH21 ARG 71 -20.650 24.365 -10.420 1.00 33.32 ATOM 1159 HH22 ARG 71 -21.498 24.773 -11.875 1.00 0.23 ATOM 1160 C ARG 71 -19.168 29.635 -8.019 1.00 33.14 ATOM 1161 O ARG 71 -20.350 29.370 -8.234 1.00 13.43 ATOM 1162 N GLY 72 -18.760 30.299 -6.942 1.00 12.54 ATOM 1163 HN GLY 72 -17.806 30.474 -6.793 1.00 39.93 ATOM 1164 CA GLY 72 -19.713 30.755 -5.946 1.00 23.32 ATOM 1165 HA1 GLY 72 -19.171 30.997 -5.049 1.00 39.93 ATOM 1166 HA2 GLY 72 -20.415 29.961 -5.722 1.00 75.02 ATOM 1167 C GLY 72 -20.482 31.980 -6.397 1.00 2.52 ATOM 1168 O GLY 72 -21.650 32.153 -6.049 1.00 73.31 ATOM 1169 N LYS 73 -19.825 32.837 -7.172 1.00 74.44 ATOM 1170 HN LYS 73 -18.887 32.656 -7.416 1.00 39.93 ATOM 1171 CA LYS 73 -20.454 34.054 -7.672 1.00 64.10 ATOM 1172 HA LYS 73 -21.031 34.498 -6.870 1.00 40.55 ATOM 1173 CB LYS 73 -19.387 35.057 -8.117 1.00 11.10 ATOM 1174 HB1 LYS 73 -18.809 34.614 -8.917 1.00 39.93 ATOM 1175 HB2 LYS 73 -18.724 35.251 -7.284 1.00 2.22 ATOM 1176 CG LYS 73 -19.960 36.370 -8.623 1.00 70.40 ATOM 1177 HG1 LYS 73 -20.971 36.238 -8.975 1.00 39.93 ATOM 1178 HG2 LYS 73 -19.353 36.711 -9.450 1.00 53.52 ATOM 1179 CD LYS 73 -19.969 37.431 -7.535 1.00 65.43 ATOM 1180 HD1 LYS 73 -20.124 36.970 -6.567 1.00 39.93 ATOM 1181 HD2 LYS 73 -20.777 38.119 -7.734 1.00 22.33 ATOM 1182 CE LYS 73 -18.664 38.212 -7.509 1.00 22.14 ATOM 1183 HE1 LYS 73 -17.830 37.524 -7.561 1.00 39.93 ATOM 1184 HE2 LYS 73 -18.613 38.761 -6.580 1.00 33.53 ATOM 1185 NZ LYS 73 -18.572 39.177 -8.639 1.00 63.31 ATOM 1186 HZ1 LYS 73 -18.291 38.681 -9.509 1.00 41.10 ATOM 1187 HZ2 LYS 73 -17.869 39.910 -8.429 1.00 71.03 ATOM 1188 HZ3 LYS 73 -19.490 39.644 -8.803 1.00 24.42 ATOM 1189 C LYS 73 -21.392 33.744 -8.834 1.00 42.42 ATOM 1190 O LYS 73 -22.474 34.320 -8.940 1.00 61.34 ATOM 1191 N ASN 74 -20.970 32.831 -9.702 1.00 63.24 ATOM 1192 HN ASN 74 -20.085 32.414 -9.577 1.00 39.93 ATOM 1193 CA ASN 74 -21.773 32.444 -10.856 1.00 54.45 ATOM 1194 HA ASN 74 -21.859 33.314 -11.494 1.00 4.51 ATOM 1195 CB ASN 74 -21.092 31.308 -11.621 1.00 62.12 ATOM 1196 HB1 ASN 74 -21.394 30.351 -11.211 1.00 39.93 ATOM 1197 HB2 ASN 74 -20.019 31.406 -11.519 1.00 52.41 ATOM 1198 CG ASN 74 -21.416 31.332 -13.103 1.00 5.24 ATOM 1199 OD1 ASN 74 -21.536 32.399 -13.705 1.00 73.35 ATOM 1200 ND2 ASN 74 -21.558 30.153 -13.696 1.00 60.13 ATOM 1201 HD21 ASN 74 -21.450 29.332 -13.164 1.00 42.52 ATOM 1202 HD22 ASN 74 -21.768 30.147 -14.653 1.00 2.44 ATOM 1203 C ASN 74 -23.173 32.015 -10.426 1.00 4.02 ATOM 1204 O ASN 74 -24.149 32.228 -11.145 1.00 63.45 ATOM 1205 N LYS 75 -23.263 31.410 -9.246 1.00 61.13 ATOM 1206 HN LYS 75 -22.447 31.236 -8.721 1.00 39.93 ATOM 1207 CA LYS 75 -24.542 30.952 -8.717 1.00 21.41 ATOM 1208 HA LYS 75 -24.997 30.302 -9.455 1.00 35.01 ATOM 1209 CB LYS 75 -24.328 30.161 -7.424 1.00 53.01 ATOM 1210 HB1 LYS 75 -23.963 30.813 -6.643 1.00 39.93 ATOM 1211 HB2 LYS 75 -23.573 29.410 -7.616 1.00 75.11 ATOM 1212 CG LYS 75 -25.574 29.439 -6.940 1.00 1.54 ATOM 1213 HG1 LYS 75 -25.258 28.575 -6.370 1.00 39.93 ATOM 1214 HG2 LYS 75 -26.158 29.110 -7.791 1.00 65.42 ATOM 1215 CD LYS 75 -26.435 30.338 -6.068 1.00 32.12 ATOM 1216 HD1 LYS 75 -27.136 30.867 -6.696 1.00 39.93 ATOM 1217 HD2 LYS 75 -25.813 31.052 -5.542 1.00 73.22 ATOM 1218 CE LYS 75 -27.213 29.535 -5.037 1.00 21.53 ATOM 1219 HE1 LYS 75 -27.469 30.192 -4.219 1.00 39.93 ATOM 1220 HE2 LYS 75 -26.601 28.726 -4.660 1.00 4.02 ATOM 1221 NZ LYS 75 -28.470 28.972 -5.604 1.00 44.43 ATOM 1222 HZ1 LYS 75 -28.976 28.430 -4.875 1.00 70.31 ATOM 1223 HZ2 LYS 75 -28.256 28.338 -6.401 1.00 13.32 ATOM 1224 HZ3 LYS 75 -29.090 29.738 -5.941 1.00 24.01 ATOM 1225 C LYS 75 -25.476 32.129 -8.457 1.00 33.22 ATOM 1226 O LYS 75 -26.501 32.280 -9.122 1.00 72.31 ATOM 1227 N VAL 76 -25.115 32.962 -7.486 1.00 33.11 ATOM 1228 HN VAL 76 -24.269 32.813 -7.005 1.00 39.93 ATOM 1229 CA VAL 76 -25.920 34.127 -7.140 1.00 12.31 ATOM 1230 HA VAL 76 -26.891 33.774 -6.813 1.00 72.23 ATOM 1231 CB VAL 76 -25.280 34.931 -5.993 1.00 3.40 ATOM 1232 HB VAL 76 -25.056 34.251 -5.184 1.00 54.04 ATOM 1233 CG1 VAL 76 -23.977 35.570 -6.451 1.00 13.13 ATOM 1234 HG11 VAL 76 -24.162 36.318 -7.207 1.00 64.43 ATOM 1235 HG12 VAL 76 -23.322 34.812 -6.841 1.00 2.32 ATOM 1236 HG13 VAL 76 -23.499 36.039 -5.603 1.00 11.55 ATOM 1237 CG2 VAL 76 -26.247 35.985 -5.477 1.00 14.54 ATOM 1238 HG21 VAL 76 -25.809 36.488 -4.626 1.00 73.04 ATOM 1239 HG22 VAL 76 -27.171 35.513 -5.172 1.00 50.35 ATOM 1240 HG23 VAL 76 -26.454 36.710 -6.251 1.00 33.23 ATOM 1241 C VAL 76 -26.108 35.043 -8.345 1.00 31.35 ATOM 1242 O VAL 76 -27.128 35.720 -8.469 1.00 3.30 ATOM 1243 N ALA 77 -25.117 35.057 -9.230 1.00 72.01 ATOM 1244 HN ALA 77 -24.308 34.520 -9.068 1.00 39.93 ATOM 1245 CA ALA 77 -25.174 35.887 -10.427 1.00 12.22 ATOM 1246 HA ALA 77 -25.262 36.920 -10.118 1.00 75.32 ATOM 1247 CB ALA 77 -23.889 35.746 -11.229 1.00 3.45 ATOM 1248 HB1 ALA 77 -23.051 36.045 -10.617 1.00 14.14 ATOM 1249 HB2 ALA 77 -23.934 36.378 -12.106 1.00 42.40 ATOM 1250 HB3 ALA 77 -23.762 34.717 -11.532 1.00 61.40 ATOM 1251 C ALA 77 -26.379 35.526 -11.289 1.00 14.35 ATOM 1252 O ALA 77 -26.944 36.380 -11.971 1.00 53.31 ATOM 1253 N ALA 78 -26.768 34.256 -11.252 1.00 64.24 ATOM 1254 HN ALA 78 -26.266 33.606 -10.708 1.00 39.93 ATOM 1255 CA ALA 78 -27.907 33.783 -12.029 1.00 63.32 ATOM 1256 HA ALA 78 -27.670 33.899 -13.078 1.00 31.44 ATOM 1257 CB ALA 78 -28.150 32.305 -11.762 1.00 71.43 ATOM 1258 HB1 ALA 78 -28.412 32.160 -10.723 1.00 1.35 ATOM 1259 HB2 ALA 78 -27.251 31.749 -11.985 1.00 34.02 ATOM 1260 HB3 ALA 78 -28.955 31.949 -12.390 1.00 32.11 ATOM 1261 C ALA 78 -29.160 34.592 -11.715 1.00 0.43 ATOM 1262 O ALA 78 -29.973 34.862 -12.598 1.00 72.52 ATOM 1263 N GLN 79 -29.309 34.977 -10.451 1.00 61.21 ATOM 1264 HN GLN 79 -28.623 34.738 -9.785 1.00 39.93 ATOM 1265 CA GLN 79 -30.465 35.755 -10.021 1.00 62.30 ATOM 1266 HA GLN 79 -31.353 35.326 -10.469 1.00 12.34 ATOM 1267 CB GLN 79 -30.610 35.694 -8.499 1.00 65.34 ATOM 1268 HB1 GLN 79 -31.550 36.157 -8.227 1.00 39.93 ATOM 1269 HB2 GLN 79 -29.799 36.249 -8.043 1.00 65.12 ATOM 1270 CG GLN 79 -30.579 34.280 -7.942 1.00 23.04 ATOM 1271 HG1 GLN 79 -29.548 33.997 -7.786 1.00 39.93 ATOM 1272 HG2 GLN 79 -31.027 33.603 -8.660 1.00 40.41 ATOM 1273 CD GLN 79 -31.315 34.157 -6.622 1.00 4.21 ATOM 1274 OE1 GLN 79 -31.062 34.914 -5.684 1.00 42.11 ATOM 1275 NE2 GLN 79 -32.232 33.200 -6.542 1.00 2.30 ATOM 1276 HE21 GLN 79 -32.395 32.622 -7.321 1.00 21.11 ATOM 1277 HE22 GLN 79 -32.718 33.106 -5.696 1.00 21.14 ATOM 1278 C GLN 79 -30.343 37.206 -10.474 1.00 75.23 ATOM 1279 O GLN 79 -31.337 37.842 -10.823 1.00 1.44 ATOM 1280 N ASN 80 -29.119 37.723 -10.467 1.00 30.33 ATOM 1281 HN ASN 80 -28.354 37.174 -10.178 1.00 39.93 ATOM 1282 CA ASN 80 -28.868 39.100 -10.876 1.00 71.33 ATOM 1283 HA ASN 80 -29.800 39.655 -10.855 1.00 22.34 ATOM 1284 CB ASN 80 -27.883 39.768 -9.916 1.00 25.04 ATOM 1285 HB1 ASN 80 -27.554 40.714 -10.331 1.00 39.93 ATOM 1286 HB2 ASN 80 -27.024 39.126 -9.788 1.00 53.11 ATOM 1287 CG ASN 80 -28.499 40.052 -8.560 1.00 34.14 ATOM 1288 OD1 ASN 80 -29.402 40.880 -8.437 1.00 2.20 ATOM 1289 ND2 ASN 80 -28.013 39.364 -7.533 1.00 34.10 ATOM 1290 HD21 ASN 80 -27.291 38.714 -7.687 1.00 72.53 ATOM 1291 HD22 ASN 80 -28.399 39.535 -6.649 1.00 55.10 ATOM 1292 C ASN 80 -28.323 39.153 -12.300 1.00 62.22 ATOM 1293 O ASN 80 -27.473 39.985 -12.620 1.00 74.32 ATOM 1294 N TYR 81 -28.817 38.260 -13.151 1.00 12.33 ATOM 1295 HN TYR 81 -29.522 37.644 -12.865 1.00 39.93 ATOM 1296 CA TYR 81 -28.379 38.204 -14.540 1.00 63.21 ATOM 1297 HA TYR 81 -27.320 38.440 -14.571 1.00 23.44 ATOM 1298 CB TYR 81 -28.592 36.800 -15.108 1.00 35.43 ATOM 1299 HB1 TYR 81 -29.619 36.677 -15.427 1.00 39.93 ATOM 1300 HB2 TYR 81 -28.390 36.076 -14.327 1.00 23.54 ATOM 1301 CG TYR 81 -27.700 36.480 -16.286 1.00 13.41 ATOM 1302 CD1 TYR 81 -26.697 35.525 -16.184 1.00 44.21 ATOM 1303 HD1 TYR 81 -26.555 35.005 -15.246 1.00 32.14 ATOM 1304 CD2 TYR 81 -27.862 37.134 -17.502 1.00 21.34 ATOM 1305 HD2 TYR 81 -28.638 37.875 -17.610 1.00 65.31 ATOM 1306 CE1 TYR 81 -25.879 35.231 -17.258 1.00 2.11 ATOM 1307 HE1 TYR 81 -25.105 34.485 -17.158 1.00 24.32 ATOM 1308 CE2 TYR 81 -27.050 36.845 -18.581 1.00 43.02 ATOM 1309 HE2 TYR 81 -27.192 37.364 -19.517 1.00 74.52 ATOM 1310 CZ TYR 81 -26.059 35.893 -18.454 1.00 53.42 ATOM 1311 OH TYR 81 -25.248 35.602 -19.527 1.00 3.34 ATOM 1312 HH TYR 81 -25.484 34.744 -19.892 1.00 12.24 ATOM 1313 C TYR 81 -29.127 39.227 -15.389 1.00 45.14 ATOM 1314 O TYR 81 -28.520 40.118 -15.985 1.00 14.02 ATOM 1315 N ARG 82 -30.448 39.092 -15.440 1.00 3.35 ATOM 1316 HN ARG 82 -30.880 38.367 -14.928 1.00 39.93 ATOM 1317 CA ARG 82 -31.280 40.004 -16.216 1.00 22.23 ATOM 1318 HA ARG 82 -30.862 40.070 -17.214 1.00 31.35 ATOM 1319 CB ARG 82 -32.706 39.461 -16.322 1.00 31.01 ATOM 1320 HB1 ARG 82 -33.317 40.163 -16.878 1.00 39.93 ATOM 1321 HB2 ARG 82 -33.113 39.363 -15.324 1.00 53.52 ATOM 1322 CG ARG 82 -32.792 38.101 -16.995 1.00 44.14 ATOM 1323 HG1 ARG 82 -33.754 37.663 -16.767 1.00 39.93 ATOM 1324 HG2 ARG 82 -32.011 37.457 -16.616 1.00 3.21 ATOM 1325 CD ARG 82 -32.646 38.217 -18.505 1.00 23.23 ATOM 1326 HD1 ARG 82 -32.243 37.283 -18.873 1.00 39.93 ATOM 1327 HD2 ARG 82 -31.961 39.018 -18.752 1.00 30.25 ATOM 1328 NE ARG 82 -33.926 38.467 -19.161 1.00 12.53 ATOM 1329 HE ARG 82 -34.708 38.656 -18.591 1.00 32.33 ATOM 1330 CZ ARG 82 -34.091 38.457 -20.479 1.00 11.32 ATOM 1331 NH1 ARG 82 -33.062 38.210 -21.277 1.00 62.41 ATOM 1332 HH11 ARG 82 -32.151 38.029 -20.911 1.00 53.44 ATOM 1333 HH12 ARG 82 -33.196 38.203 -22.270 1.00 41.32 ATOM 1334 NH2 ARG 82 -35.288 38.695 -21.001 1.00 23.42 ATOM 1335 HH21 ARG 82 -36.070 38.883 -20.403 1.00 40.42 ATOM 1336 HH22 ARG 82 -35.415 38.688 -21.995 1.00 23.23 ATOM 1337 C ARG 82 -31.299 41.393 -15.585 1.00 45.22 ATOM 1338 O ARG 82 -31.760 41.569 -14.457 1.00 50.14 ATOM 1339 N LYS 83 -30.793 42.378 -16.321 1.00 32.35 ATOM 1340 HN LYS 83 -30.426 42.176 -17.215 1.00 39.93 ATOM 1341 CA LYS 83 -30.752 43.752 -15.835 1.00 42.13 ATOM 1342 HA LYS 83 -31.707 43.983 -15.378 1.00 3.35 ATOM 1343 CB LYS 83 -29.650 43.911 -14.785 1.00 33.11 ATOM 1344 HB1 LYS 83 -29.888 43.271 -13.947 1.00 39.93 ATOM 1345 HB2 LYS 83 -29.633 44.937 -14.435 1.00 24.40 ATOM 1346 CG LYS 83 -28.270 43.524 -15.287 1.00 72.14 ATOM 1347 HG1 LYS 83 -28.344 42.730 -16.017 1.00 39.93 ATOM 1348 HG2 LYS 83 -27.694 43.173 -14.442 1.00 53.40 ATOM 1349 CD LYS 83 -27.553 44.707 -15.915 1.00 51.41 ATOM 1350 HD1 LYS 83 -27.651 45.573 -15.272 1.00 39.93 ATOM 1351 HD2 LYS 83 -27.985 44.919 -16.872 1.00 1.41 ATOM 1352 CE LYS 83 -26.073 44.420 -16.115 1.00 70.15 ATOM 1353 HE1 LYS 83 -25.710 43.783 -15.318 1.00 39.93 ATOM 1354 HE2 LYS 83 -25.538 45.358 -16.088 1.00 32.31 ATOM 1355 NZ LYS 83 -25.808 43.760 -17.424 1.00 34.21 ATOM 1356 HZ1 LYS 83 -24.789 43.579 -17.529 1.00 11.22 ATOM 1357 HZ2 LYS 83 -26.120 44.370 -18.208 1.00 51.50 ATOM 1358 HZ3 LYS 83 -26.316 42.853 -17.482 1.00 23.22 ATOM 1359 C LYS 83 -30.518 44.728 -16.984 1.00 62.11 ATOM 1360 O LYS 83 -30.065 44.337 -18.060 1.00 42.22 ATOM 1361 N ARG 84 -30.828 45.998 -16.748 1.00 10.41 ATOM 1362 HN ARG 84 -31.187 46.260 -15.870 1.00 39.93 ATOM 1363 CA ARG 84 -30.651 47.030 -17.763 1.00 60.42 ATOM 1364 HA ARG 84 -31.102 47.940 -17.394 1.00 70.00 ATOM 1365 CB ARG 84 -29.163 47.274 -18.018 1.00 45.11 ATOM 1366 HB1 ARG 84 -29.049 47.940 -18.866 1.00 39.93 ATOM 1367 HB2 ARG 84 -28.694 46.336 -18.262 1.00 30.41 ATOM 1368 CG ARG 84 -28.431 47.874 -16.828 1.00 73.41 ATOM 1369 HG1 ARG 84 -27.400 47.551 -16.864 1.00 39.93 ATOM 1370 HG2 ARG 84 -28.882 47.528 -15.907 1.00 54.32 ATOM 1371 CD ARG 84 -28.472 49.393 -16.857 1.00 14.40 ATOM 1372 HD1 ARG 84 -29.379 49.714 -16.366 1.00 39.93 ATOM 1373 HD2 ARG 84 -28.483 49.751 -17.880 1.00 12.23 ATOM 1374 NE ARG 84 -27.336 49.985 -16.156 1.00 13.25 ATOM 1375 HE ARG 84 -27.502 50.356 -15.262 1.00 61.02 ATOM 1376 CZ ARG 84 -26.110 50.044 -16.662 1.00 3.20 ATOM 1377 NH1 ARG 84 -25.862 49.551 -17.867 1.00 71.43 ATOM 1378 HH11 ARG 84 -26.577 49.128 -18.418 1.00 52.31 ATOM 1379 HH12 ARG 84 -24.933 49.603 -18.239 1.00 3.41 ATOM 1380 NH2 ARG 84 -25.128 50.599 -15.962 1.00 62.55 ATOM 1381 HH21 ARG 84 -25.309 50.975 -15.051 1.00 23.15 ATOM 1382 HH22 ARG 84 -24.202 50.645 -16.342 1.00 51.43 ATOM 1383 C ARG 84 -31.343 46.635 -19.065 1.00 1.42 ATOM 1384 O ARG 84 -30.855 46.933 -20.155 1.00 42.42 ATOM 1385 N LYS 85 -32.482 45.963 -18.943 1.00 15.20 ATOM 1386 HN LYS 85 -32.843 45.774 -18.046 1.00 39.93 ATOM 1387 CA LYS 85 -33.243 45.528 -20.108 1.00 50.14 ATOM 1388 HA LYS 85 -32.578 44.960 -20.736 1.00 34.02 ATOM 1389 CB LYS 85 -34.420 44.651 -19.676 1.00 73.13 ATOM 1390 HB1 LYS 85 -35.176 44.643 -20.455 1.00 39.93 ATOM 1391 HB2 LYS 85 -34.857 45.078 -18.783 1.00 53.23 ATOM 1392 CG LYS 85 -34.028 43.218 -19.362 1.00 23.30 ATOM 1393 HG1 LYS 85 -34.733 42.826 -18.643 1.00 39.93 ATOM 1394 HG2 LYS 85 -33.035 43.193 -18.927 1.00 61.21 ATOM 1395 CD LYS 85 -34.073 42.342 -20.603 1.00 42.21 ATOM 1396 HD1 LYS 85 -34.889 42.647 -21.246 1.00 39.93 ATOM 1397 HD2 LYS 85 -34.231 41.320 -20.292 1.00 52.51 ATOM 1398 CE LYS 85 -32.770 42.415 -21.384 1.00 24.41 ATOM 1399 HE1 LYS 85 -31.933 42.441 -20.697 1.00 39.93 ATOM 1400 HE2 LYS 85 -32.774 43.313 -21.981 1.00 71.30 ATOM 1401 NZ LYS 85 -32.603 41.248 -22.294 1.00 63.20 ATOM 1402 HZ1 LYS 85 -33.518 40.948 -22.697 1.00 10.14 ATOM 1403 HZ2 LYS 85 -32.186 40.456 -21.775 1.00 44.42 ATOM 1404 HZ3 LYS 85 -31.964 41.501 -23.075 1.00 51.35 ATOM 1405 C LYS 85 -33.753 46.726 -20.904 1.00 22.24 ATOM 1406 O LYS 85 -34.091 47.764 -20.334 1.00 5.25 ATOM 1407 N LEU 86 -33.807 46.575 -22.222 1.00 73.42 ATOM 1408 HN LEU 86 -33.510 45.726 -22.627 1.00 39.93 ATOM 1409 CA LEU 86 -34.278 47.644 -23.096 1.00 61.21 ATOM 1410 HA LEU 86 -34.874 48.340 -22.518 1.00 71.22 ATOM 1411 CB LEU 86 -33.090 48.393 -23.703 1.00 13.22 ATOM 1412 HB1 LEU 86 -33.420 48.928 -24.588 1.00 39.93 ATOM 1413 HB2 LEU 86 -32.367 47.650 -24.018 1.00 31.24 ATOM 1414 CG LEU 86 -32.386 49.391 -22.783 1.00 65.02 ATOM 1415 HG LEU 86 -32.256 48.946 -21.806 1.00 5.51 ATOM 1416 CD1 LEU 86 -31.006 49.734 -23.324 1.00 73.35 ATOM 1417 HD11 LEU 86 -30.513 50.422 -22.651 1.00 10.43 ATOM 1418 HD12 LEU 86 -31.099 50.192 -24.299 1.00 42.51 ATOM 1419 HD13 LEU 86 -30.415 48.832 -23.406 1.00 4.05 ATOM 1420 CD2 LEU 86 -33.224 50.650 -22.620 1.00 14.13 ATOM 1421 HD21 LEU 86 -34.186 50.394 -22.200 1.00 2.03 ATOM 1422 HD22 LEU 86 -33.367 51.121 -23.583 1.00 2.31 ATOM 1423 HD23 LEU 86 -32.719 51.339 -21.956 1.00 35.11 ATOM 1424 C LEU 86 -35.165 47.089 -24.206 1.00 43.13 ATOM 1425 O LEU 86 -35.296 45.875 -24.360 1.00 50.31 ATOM 1426 N GLU 87 -35.769 47.987 -24.978 1.00 70.13 ATOM 1427 HN GLU 87 -35.621 48.948 -24.806 1.00 39.93 ATOM 1428 CA GLU 87 -36.642 47.586 -26.075 1.00 51.03 ATOM 1429 HA GLU 87 -37.410 46.937 -25.670 1.00 32.22 ATOM 1430 CB GLU 87 -37.316 48.812 -26.694 1.00 54.31 ATOM 1431 HB1 GLU 87 -36.553 49.521 -26.980 1.00 39.93 ATOM 1432 HB2 GLU 87 -37.956 49.266 -25.949 1.00 34.23 ATOM 1433 CG GLU 87 -38.154 48.492 -27.920 1.00 55.14 ATOM 1434 HG1 GLU 87 -38.877 47.732 -27.661 1.00 39.93 ATOM 1435 HG2 GLU 87 -37.510 48.123 -28.704 1.00 14.43 ATOM 1436 CD GLU 87 -38.898 49.702 -28.451 1.00 13.32 ATOM 1437 OE1 GLU 87 -39.633 50.338 -27.667 1.00 55.10 ATOM 1438 OE2 GLU 87 -38.745 50.013 -29.651 1.00 5.44 ATOM 1439 C GLU 87 -35.860 46.828 -27.144 1.00 42.53 ATOM 1440 O GLU 87 -34.709 47.155 -27.437 1.00 52.44 ATOM 1441 N THR 88 -36.492 45.813 -27.724 1.00 73.10 ATOM 1442 HN THR 88 -37.419 45.604 -27.455 1.00 39.93 ATOM 1443 CA THR 88 -35.857 45.007 -28.759 1.00 3.12 ATOM 1444 HA THR 88 -34.848 44.781 -28.423 1.00 53.22 ATOM 1445 CB THR 88 -36.608 43.681 -28.979 1.00 31.45 ATOM 1446 HB THR 88 -37.186 43.732 -29.894 1.00 73.05 ATOM 1447 OG1 THR 88 -37.511 43.443 -27.893 1.00 53.50 ATOM 1448 HG1 THR 88 -37.034 43.360 -27.056 1.00 54.43 ATOM 1449 CG2 THR 88 -35.633 42.519 -29.096 1.00 44.21 ATOM 1450 HG21 THR 88 -35.052 42.440 -28.188 1.00 54.14 ATOM 1451 HG22 THR 88 -34.971 42.684 -29.934 1.00 34.23 ATOM 1452 HG23 THR 88 -36.184 41.603 -29.249 1.00 51.33 ATOM 1453 C THR 88 -35.788 45.764 -30.080 1.00 62.12 ATOM 1454 O THR 88 -36.807 46.222 -30.597 1.00 50.44 ATOM 1455 N ILE 89 -34.581 45.891 -30.622 1.00 32.41 ATOM 1456 HN ILE 89 -33.807 45.509 -30.152 1.00 39.93 ATOM 1457 CA ILE 89 -34.381 46.591 -31.885 1.00 21.43 ATOM 1458 HA ILE 89 -34.944 47.518 -31.859 1.00 45.42 ATOM 1459 CB ILE 89 -32.897 46.937 -32.107 1.00 41.11 ATOM 1460 HB ILE 89 -32.794 47.464 -33.043 1.00 32.21 ATOM 1461 CG1 ILE 89 -32.054 45.661 -32.153 1.00 70.10 ATOM 1462 HG11 ILE 89 -32.454 44.977 -32.887 1.00 39.93 ATOM 1463 HG12 ILE 89 -32.063 45.182 -31.187 1.00 74.41 ATOM 1464 CG2 ILE 89 -32.400 47.867 -31.010 1.00 51.35 ATOM 1465 HG21 ILE 89 -31.383 48.165 -31.216 1.00 63.24 ATOM 1466 HG22 ILE 89 -32.440 47.360 -30.056 1.00 42.43 ATOM 1467 HG23 ILE 89 -33.026 48.749 -30.972 1.00 73.12 ATOM 1468 CD1 ILE 89 -30.608 45.905 -32.523 1.00 62.02 ATOM 1469 HD11 ILE 89 -30.123 46.466 -31.739 1.00 43.24 ATOM 1470 HD12 ILE 89 -30.558 46.461 -33.449 1.00 70.14 ATOM 1471 HD13 ILE 89 -30.106 44.957 -32.648 1.00 44.21 ATOM 1472 C ILE 89 -34.878 45.757 -33.060 1.00 74.34 ATOM 1473 O ILE 89 -35.388 44.651 -32.880 1.00 21.44 ATOM 1474 N VAL 90 -34.726 46.294 -34.267 1.00 25.13 ATOM 1475 HN VAL 90 -34.333 47.192 -34.359 1.00 39.93 ATOM 1476 CA VAL 90 -35.156 45.598 -35.474 1.00 13.55 ATOM 1477 HA VAL 90 -36.003 44.962 -35.225 1.00 65.21 ATOM 1478 CB VAL 90 -35.617 46.590 -36.559 1.00 22.14 ATOM 1479 HB VAL 90 -34.764 47.176 -36.879 1.00 65.20 ATOM 1480 CG1 VAL 90 -36.160 45.844 -37.768 1.00 12.13 ATOM 1481 HG11 VAL 90 -35.373 45.273 -38.235 1.00 5.30 ATOM 1482 HG12 VAL 90 -36.551 46.553 -38.486 1.00 12.52 ATOM 1483 HG13 VAL 90 -36.953 45.177 -37.459 1.00 32.45 ATOM 1484 CG2 VAL 90 -36.659 47.546 -35.998 1.00 74.35 ATOM 1485 HG21 VAL 90 -37.509 46.986 -35.633 1.00 14.22 ATOM 1486 HG22 VAL 90 -36.985 48.224 -36.775 1.00 14.42 ATOM 1487 HG23 VAL 90 -36.231 48.119 -35.188 1.00 44.14 ATOM 1488 C VAL 90 -34.037 44.730 -36.036 1.00 71.34 ATOM 1489 O VAL 90 -33.276 45.164 -36.901 1.00 15.44 ATOM 1490 N GLN 91 -33.943 43.500 -35.540 1.00 54.24 ATOM 1491 HN GLN 91 -34.583 43.210 -34.846 1.00 39.93 ATOM 1492 HA GLN 91 -31.951 42.987 -35.733 1.00 41.13 ATOM 1493 CB GLN 91 -33.085 41.215 -35.305 1.00 60.01 ATOM 1494 HB1 GLN 91 -32.622 40.443 -35.911 1.00 39.93 ATOM 1495 HB2 GLN 91 -34.140 40.996 -35.210 1.00 11.24 ATOM 1496 CG GLN 91 -32.460 41.155 -33.921 1.00 30.54 ATOM 1497 HG1 GLN 91 -32.955 41.880 -33.290 1.00 39.93 ATOM 1498 HG2 GLN 91 -31.412 41.408 -34.003 1.00 51.41 ATOM 1499 CD GLN 91 -32.574 39.781 -33.288 1.00 43.35 ATOM 1500 OE1 GLN 91 -32.336 38.764 -33.940 1.00 24.23 ATOM 1501 NE2 GLN 91 -32.939 39.745 -32.012 1.00 51.24 ATOM 1502 HE21 GLN 91 -33.116 40.589 -31.539 1.00 42.02 ATOM 1503 HE22 GLN 91 -33.018 38.866 -31.586 1.00 12.10 ATOM 1504 CA GLN 91 -32.916 42.570 -35.994 1.00 53.13 ATOM 1505 C GLN 91 -32.972 42.394 -37.508 1.00 43.42 ATOM 1506 OT1 GLN 91 -34.053 42.037 -38.026 1.00 39.93 ATOM 1507 OT2 GLN 91 -31.934 42.614 -38.168 1.00 39.93 ATOM 1508 OH2 TIP3 1 -32.245 -27.538 11.947 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -31.395 -27.117 12.075 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -32.240 -28.278 12.555 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -31.271 32.886 -32.678 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -31.320 31.931 -32.715 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -32.097 33.154 -32.276 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -35.546 34.512 -33.891 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -36.148 33.957 -34.386 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -35.265 35.179 -34.517 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -34.276 34.766 -37.924 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -34.432 35.444 -38.581 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -33.344 34.838 -37.721 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -31.560 35.416 -37.695 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -31.582 35.601 -36.756 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -30.870 35.985 -38.036 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -33.605 32.746 -35.542 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -34.253 33.071 -34.917 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -34.123 32.306 -36.217 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -34.822 35.506 -42.123 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -34.169 35.159 -42.731 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -34.311 35.995 -41.477 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -37.827 36.094 -33.118 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -37.150 35.462 -33.358 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -37.505 36.496 -32.310 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -37.576 35.032 -36.123 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -38.480 35.197 -36.389 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -37.147 35.885 -36.189 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -33.624 34.037 -31.965 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -34.406 33.851 -32.485 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -33.696 34.966 -31.748 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -38.324 35.222 -21.146 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -37.704 34.545 -21.419 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -38.532 35.004 -20.238 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -34.923 31.957 -19.010 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -35.865 32.015 -18.849 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -34.647 32.863 -19.147 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -36.671 33.738 -22.385 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -36.246 33.031 -22.870 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -36.354 34.539 -22.802 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -35.512 31.639 -23.876 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -35.769 30.949 -24.488 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -35.441 31.196 -23.031 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -33.826 30.205 -15.399 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -33.686 29.614 -16.138 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -33.658 31.078 -15.755 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -37.626 32.279 -18.425 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -37.867 32.941 -17.777 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -37.824 31.445 -18.000 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -39.350 33.276 -23.555 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -38.876 33.571 -22.777 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -39.913 34.014 -23.788 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -32.188 32.655 -28.800 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -32.115 33.594 -28.630 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -31.283 32.350 -28.857 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -39.878 36.232 -25.140 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -39.953 36.111 -26.086 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -39.845 37.182 -25.021 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -36.776 35.386 -28.137 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -36.401 34.642 -28.608 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -36.772 35.116 -27.219 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -37.107 35.312 -25.388 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -38.042 35.412 -25.209 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -36.827 34.603 -24.810 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -37.421 31.882 -15.083 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -38.322 32.065 -15.351 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -37.387 32.141 -14.162 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -31.726 29.927 -13.879 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -32.578 30.165 -14.246 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -31.136 29.910 -14.632 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -33.394 32.913 -26.251 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -33.767 32.087 -25.941 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -33.117 32.730 -27.148 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -35.546 34.512 -15.035 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -36.148 33.957 -15.530 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -35.265 35.179 -15.661 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -31.498 35.369 -28.229 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -30.755 35.955 -28.369 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -32.193 35.937 -27.896 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -37.388 32.736 -12.491 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -37.739 31.880 -12.248 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -36.662 32.879 -11.884 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -35.269 33.681 -29.611 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.986 32.887 -29.158 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -34.529 33.914 -30.172 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -33.546 30.773 -11.279 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -34.412 30.668 -10.885 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -33.170 31.532 -10.832 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -33.605 32.746 -16.686 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -34.253 33.071 -16.061 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -34.123 32.306 -17.361 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -33.208 27.574 -13.739 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -32.625 26.840 -13.548 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -32.644 28.346 -13.693 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -31.711 25.477 -13.055 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -32.574 25.098 -13.220 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -31.107 24.738 -13.129 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -37.827 36.094 -14.262 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -37.150 35.462 -14.502 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -37.505 36.496 -13.454 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -39.903 36.154 -18.212 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -40.360 36.683 -18.866 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -39.740 36.757 -17.487 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -37.576 35.032 -17.267 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -38.480 35.197 -17.533 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -37.147 35.885 -17.333 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -39.551 35.723 -27.939 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -38.685 36.089 -28.117 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.798 35.283 -28.752 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -32.842 35.286 -25.259 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -33.036 34.538 -25.824 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -32.881 36.044 -25.843 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -35.435 30.117 -2.502 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -35.876 29.397 -2.052 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -35.448 30.838 -1.872 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -38.324 35.222 -2.290 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -37.704 34.545 -2.563 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -38.532 35.004 -1.382 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -38.277 30.524 -5.180 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -38.573 30.202 -6.031 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -38.601 31.424 -5.138 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -34.923 31.957 -0.154 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -35.865 32.015 0.007 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -34.647 32.863 -0.291 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -36.671 33.738 -3.529 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -36.246 33.031 -4.014 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -36.354 34.539 -3.946 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -35.947 27.377 -5.819 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -36.679 27.605 -5.246 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -35.500 26.663 -5.364 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -39.350 33.276 -4.699 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -38.876 33.571 -3.921 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -39.913 34.014 -4.932 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -36.776 35.386 -9.281 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -36.401 34.642 -9.752 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -36.772 35.116 -8.363 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -37.107 35.312 -6.532 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -38.042 35.412 -6.353 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -36.827 34.603 -5.954 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -35.599 27.572 -10.504 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -35.557 27.349 -11.434 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -34.750 27.970 -10.314 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -39.065 30.695 -8.389 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -39.360 31.521 -8.007 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -39.768 30.075 -8.193 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.690 24.127 -7.860 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -32.244 23.731 -8.532 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.589 25.037 -8.137 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -36.002 30.889 -9.574 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -35.649 30.509 -8.770 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -36.951 30.796 -9.488 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -35.136 29.562 -7.348 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -35.413 28.834 -6.792 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -34.209 29.681 -7.142 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -34.276 34.766 -0.212 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -34.432 35.444 -0.869 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -33.344 34.838 -0.009 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -35.269 33.681 -10.755 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -34.986 32.887 -10.302 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -34.529 33.914 -11.316 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -32.704 28.161 -10.884 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -32.977 27.736 -11.697 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -32.664 29.092 -11.101 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -31.560 35.416 0.017 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -31.582 35.601 0.956 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -30.870 35.985 -0.324 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -32.092 29.868 -0.137 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -31.258 29.490 -0.418 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -31.980 30.811 -0.256 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -31.583 26.984 -8.694 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -32.104 27.341 -9.413 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -31.616 27.659 -8.016 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -34.064 25.604 -4.522 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -34.214 24.659 -4.542 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -34.418 25.885 -3.678 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -34.822 35.506 -4.411 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -34.169 35.159 -5.019 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -34.311 35.995 -3.765 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -38.074 46.779 -41.935 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -37.985 47.723 -42.067 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -38.713 46.504 -42.593 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.435 48.973 -40.214 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.876 48.253 -39.764 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -35.448 49.694 -39.584 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -38.324 54.078 -40.002 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -37.704 53.401 -40.275 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -38.532 53.860 -39.094 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -40.752 48.467 -38.110 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -40.448 47.781 -38.704 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -40.030 48.585 -37.492 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -36.734 41.093 -42.109 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -36.088 40.764 -41.484 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -36.224 41.611 -42.732 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -42.680 44.909 -40.532 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -42.064 44.383 -40.023 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -43.266 44.269 -40.936 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -38.277 49.380 -42.892 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -38.573 49.058 -43.743 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -38.601 50.280 -42.850 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -43.077 47.556 -36.148 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -43.817 48.154 -36.045 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -42.363 48.110 -36.464 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -34.923 50.813 -37.866 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -35.865 50.871 -37.705 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -34.647 51.719 -38.003 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -36.671 52.594 -41.241 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -36.246 51.887 -41.726 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -36.354 53.395 -41.658 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -35.512 50.495 -42.732 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -35.769 49.805 -43.344 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -35.441 50.052 -41.887 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -39.353 46.023 -44.483 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -40.065 46.558 -44.834 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -38.662 46.079 -45.143 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -35.947 46.233 -43.531 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -36.679 46.461 -42.958 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -35.500 45.519 -43.076 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -42.935 50.291 -38.967 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -43.030 49.713 -39.724 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -42.206 49.920 -38.471 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -43.935 45.632 -38.015 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -43.370 45.753 -38.778 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -43.616 46.269 -37.376 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -43.055 50.031 -33.298 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -43.367 50.813 -32.842 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -43.705 49.878 -33.984 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -44.816 52.103 -32.534 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -44.808 51.967 -33.482 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -45.732 51.985 -32.282 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -31.271 51.742 -32.678 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -31.320 50.787 -32.715 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -32.097 52.010 -32.276 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -40.292 51.316 -33.802 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -40.205 52.142 -33.327 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -41.156 50.986 -33.553 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -39.688 37.811 -34.831 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -39.268 37.396 -34.078 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -40.621 37.633 -34.714 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -38.727 43.692 -43.381 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -39.136 44.507 -43.673 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -38.007 43.552 -43.996 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -37.723 43.138 -40.567 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -37.918 43.743 -41.282 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -37.541 42.304 -41.002 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -33.989 55.610 -31.571 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -33.789 56.034 -32.406 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -33.333 55.953 -30.964 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -40.361 43.491 -39.225 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -39.797 42.944 -39.772 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -40.509 42.969 -38.436 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -41.735 41.879 -36.811 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -42.570 42.333 -36.701 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -41.211 42.155 -36.059 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -36.575 42.773 -45.266 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -35.683 42.636 -44.947 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -36.518 43.564 -45.803 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -42.041 45.365 -31.829 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -42.337 45.199 -32.724 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -41.110 45.145 -31.839 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -31.690 42.983 -45.572 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -32.244 42.587 -46.244 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -31.589 43.893 -45.849 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -41.749 52.717 -36.061 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -41.386 53.572 -36.294 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -41.217 52.425 -35.320 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -35.546 53.368 -33.891 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -36.148 52.813 -34.386 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -35.265 54.035 -34.517 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -35.136 48.418 -45.060 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -35.413 47.690 -44.504 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -34.209 48.537 -44.854 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -38.689 40.342 -35.594 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -37.991 40.416 -34.944 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -39.070 39.478 -35.439 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -37.905 39.994 -44.497 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.685 40.466 -45.300 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -37.347 40.389 -43.826 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -40.169 42.708 -34.477 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -40.050 43.282 -33.720 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -39.514 42.020 -34.362 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -34.276 53.622 -37.924 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -34.432 54.300 -38.581 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -33.344 53.694 -37.721 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -43.965 53.212 -30.076 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -43.197 52.753 -29.735 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -43.986 52.986 -31.006 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -42.000 48.073 -31.309 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -42.328 48.344 -32.167 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -41.848 47.132 -31.397 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -41.542 45.476 -35.133 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -40.791 45.320 -35.706 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -41.881 46.328 -35.409 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -41.054 41.815 -31.378 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -41.290 41.595 -30.476 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -41.837 41.608 -31.887 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -38.338 40.942 -32.302 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -39.286 40.974 -32.170 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -38.026 40.317 -31.648 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -41.743 38.470 -30.216 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -41.874 37.994 -31.037 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -42.342 39.214 -30.272 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -31.997 53.839 -34.773 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.484 53.104 -35.144 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -31.448 53.446 -34.095 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -31.851 45.939 -42.797 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -32.577 45.460 -42.399 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -31.270 46.145 -42.065 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -33.605 51.602 -35.542 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -34.253 51.927 -34.917 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -34.123 51.162 -36.217 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -34.064 44.460 -42.234 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -34.214 43.515 -42.254 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -34.418 44.741 -41.390 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -34.354 42.043 -43.772 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -34.074 41.136 -43.647 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -33.595 42.477 -44.161 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -33.740 39.306 -43.723 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -33.558 38.857 -42.898 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -34.340 38.721 -44.187 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -40.172 53.665 -32.362 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -39.987 53.331 -31.484 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -39.325 53.974 -32.684 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -37.827 54.950 -33.118 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -37.150 54.318 -33.358 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.505 55.352 -32.310 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -37.576 53.888 -36.123 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -38.480 54.053 -36.389 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -37.147 54.741 -36.189 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -39.479 38.989 -39.715 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -40.154 38.360 -39.460 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -38.915 38.505 -40.318 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.337 37.096 -39.603 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -33.733 37.644 -40.104 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -35.206 37.416 -39.843 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -32.610 38.235 -41.269 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -31.998 37.721 -41.796 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -32.227 39.113 -41.246 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -37.016 37.580 -40.431 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -36.940 37.675 -41.380 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -37.292 36.672 -40.302 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -36.800 36.820 -30.658 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -36.724 36.394 -29.804 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -35.907 36.834 -31.000 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -33.624 52.893 -31.965 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -34.406 52.707 -32.485 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -33.696 53.822 -31.748 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -39.141 46.034 -19.660 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -39.179 45.388 -18.955 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -39.464 45.568 -20.431 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -38.324 54.078 -21.146 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -37.704 53.401 -21.419 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -38.532 53.860 -20.238 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -40.752 48.467 -19.254 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -40.448 47.781 -19.848 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -40.030 48.585 -18.636 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -42.680 44.909 -21.676 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -42.064 44.383 -21.167 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -43.266 44.269 -22.080 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -41.620 37.186 -20.127 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -41.737 36.237 -20.181 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -42.475 37.518 -19.854 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -33.826 49.061 -15.399 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -33.686 48.470 -16.138 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -33.658 49.934 -15.755 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -36.050 44.407 -15.607 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.970 45.170 -15.035 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -36.651 44.686 -16.298 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -44.302 46.863 -22.792 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -44.632 46.493 -23.611 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -43.714 46.193 -22.446 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -37.626 51.135 -18.425 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -37.867 51.797 -17.777 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -37.824 50.301 -18.000 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -39.350 52.132 -23.555 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -38.876 52.427 -22.777 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -39.913 52.870 -23.788 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -33.378 37.145 -27.177 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -34.277 37.284 -26.882 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -33.126 37.976 -27.579 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -45.312 45.933 -25.203 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -45.604 46.701 -25.694 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -45.986 45.273 -25.366 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -32.188 51.511 -28.800 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -32.115 52.450 -28.630 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -31.283 51.206 -28.857 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -31.271 51.742 -13.822 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -31.320 50.787 -13.859 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -32.097 52.010 -13.420 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -39.878 55.088 -25.140 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -39.953 54.967 -26.086 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -39.845 56.038 -25.021 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -36.776 54.242 -28.137 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -36.401 53.498 -28.608 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -36.772 53.972 -27.219 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -37.107 54.168 -25.388 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -38.042 54.268 -25.209 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -36.827 53.459 -24.810 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -39.688 37.811 -15.975 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -39.268 37.396 -15.222 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -40.621 37.633 -15.858 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -36.362 41.567 -15.121 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -36.876 41.441 -14.324 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -36.517 42.479 -15.366 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -40.026 40.304 -28.690 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -40.280 40.323 -27.767 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -40.283 39.432 -28.991 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -43.144 40.749 -29.589 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -43.575 40.304 -28.859 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -43.862 41.121 -30.101 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -38.459 44.776 -17.040 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -38.135 44.145 -17.683 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -38.899 44.241 -16.379 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -41.681 40.703 -22.256 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -42.592 40.760 -21.967 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -41.176 40.643 -21.445 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -43.200 42.332 -25.773 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -42.268 42.461 -25.595 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -43.415 43.002 -26.422 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -44.526 43.527 -28.206 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -45.068 43.147 -28.897 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -43.692 43.721 -28.635 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -40.361 43.491 -20.369 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -39.797 42.944 -20.916 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -40.509 42.969 -19.580 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -41.735 41.879 -17.955 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -42.570 42.333 -17.845 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -41.211 42.155 -17.203 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -39.671 48.276 -15.033 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -40.017 47.895 -14.227 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -39.871 49.210 -14.962 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -37.421 50.738 -15.083 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -38.322 50.921 -15.351 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -37.387 50.997 -14.162 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -31.690 42.983 -26.716 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -32.244 42.587 -27.388 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -31.589 43.893 -26.993 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -31.726 48.783 -13.879 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -32.578 49.021 -14.246 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -31.136 48.766 -14.632 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -43.691 50.905 -23.096 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -43.164 51.678 -23.297 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -44.571 51.130 -23.398 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -42.264 48.568 -23.520 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -42.505 49.493 -23.478 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -43.004 48.109 -23.124 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -43.580 53.590 -23.975 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -44.530 53.695 -23.923 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -43.229 54.410 -23.630 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -38.205 48.816 -17.504 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -38.631 48.589 -16.678 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -37.624 48.078 -17.687 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -35.546 53.368 -15.035 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -36.148 52.813 -15.530 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -35.265 54.035 -15.661 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -31.498 54.225 -28.229 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -30.755 54.811 -28.369 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -32.193 54.793 -27.896 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -46.521 47.680 -27.017 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -47.207 48.032 -26.450 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -45.998 48.443 -27.263 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -38.689 40.342 -16.738 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -37.991 40.416 -16.088 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -39.070 39.478 -16.583 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -37.905 39.994 -25.641 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -37.685 40.466 -26.444 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -37.347 40.389 -24.970 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -40.705 41.722 -24.806 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -39.893 42.226 -24.760 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -40.950 41.577 -23.892 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -40.169 42.708 -15.621 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -40.050 43.282 -14.864 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -39.514 42.020 -15.506 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -39.821 38.803 -23.868 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -40.168 39.421 -23.223 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -39.163 39.304 -24.349 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -42.898 53.168 -26.796 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -42.737 53.968 -27.297 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -43.095 53.475 -25.911 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -44.164 39.866 -27.180 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -44.247 40.755 -26.834 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -43.274 39.601 -26.949 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -45.905 50.294 -28.120 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -45.313 50.993 -27.844 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -45.446 49.861 -28.839 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -34.276 53.622 -19.068 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -34.432 54.300 -19.725 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -33.344 53.694 -18.865 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -35.269 52.537 -29.611 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -34.986 51.743 -29.158 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -34.529 52.770 -30.172 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -44.314 48.447 -29.754 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -44.250 47.653 -29.223 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -43.661 48.328 -30.443 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -36.265 47.989 -15.070 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -35.520 48.577 -15.190 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -37.022 48.571 -15.007 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -43.165 46.419 -27.448 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -43.624 45.935 -26.762 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -42.910 45.751 -28.084 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -42.094 44.662 -29.185 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -42.274 44.508 -30.113 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -41.143 44.770 -29.141 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -41.542 45.476 -16.277 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -40.791 45.320 -16.850 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -41.881 46.328 -16.553 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -37.126 43.291 -11.249 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.934 42.360 -11.360 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -36.269 43.716 -11.259 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -35.810 46.080 -13.171 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -36.091 46.789 -13.749 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -34.867 46.007 -13.322 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -38.338 40.942 -13.446 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -39.286 40.974 -13.314 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -38.026 40.317 -12.792 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -36.704 39.576 -11.441 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -36.801 38.624 -11.447 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -37.026 39.845 -10.580 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -42.196 55.353 -28.184 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -41.263 55.511 -28.040 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -42.460 56.028 -28.809 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -31.560 54.272 -18.839 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -31.582 54.457 -17.900 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -30.870 54.841 -19.180 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -31.997 53.839 -15.917 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -32.484 53.104 -16.288 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -31.448 53.446 -15.239 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.546 49.629 -11.279 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -34.412 49.524 -10.885 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -33.170 50.388 -10.832 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -33.605 51.602 -16.686 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -34.253 51.927 -16.061 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -34.123 51.162 -17.361 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -34.822 54.362 -23.267 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -34.169 54.015 -23.875 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.311 54.851 -22.621 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -37.576 53.888 -17.267 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -38.480 54.053 -17.533 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -37.147 54.741 -17.333 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -34.971 55.458 -16.972 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -35.153 56.374 -17.183 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -34.795 55.048 -17.819 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -39.479 38.989 -20.859 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -40.154 38.360 -20.604 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -38.915 38.505 -21.462 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -42.573 37.550 -23.224 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -41.699 37.938 -23.254 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -42.709 37.335 -22.301 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -35.663 37.606 -25.882 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -36.366 38.220 -26.092 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -36.108 36.768 -25.751 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -41.429 39.630 -26.334 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -41.251 38.984 -25.651 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -41.483 40.464 -25.867 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -39.551 54.579 -27.939 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -38.685 54.945 -28.117 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -39.798 54.139 -28.752 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -32.842 54.142 -25.259 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -33.036 53.394 -25.824 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -32.881 54.900 -25.843 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -36.800 36.820 -11.802 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -36.724 36.394 -10.948 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -35.907 36.834 -12.144 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -33.624 52.893 -13.109 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -34.406 52.707 -13.629 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -33.696 53.822 -12.892 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -34.970 40.384 -2.416 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -35.185 39.618 -1.884 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -34.314 40.856 -1.903 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -35.599 46.428 -10.504 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -35.557 46.205 -11.434 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -34.750 46.826 -10.314 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -37.293 40.906 -9.215 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -38.231 41.018 -9.366 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -36.996 41.763 -8.909 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -36.575 42.773 -7.554 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -35.683 42.636 -7.235 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -36.518 43.564 -8.091 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -32.704 47.017 -10.884 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -32.977 46.592 -11.697 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -32.664 47.948 -11.101 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -32.245 47.886 -6.909 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -31.395 48.307 -6.781 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -32.240 47.146 -6.301 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -31.851 45.939 -5.085 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -32.577 45.460 -4.687 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -31.270 46.145 -4.353 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -31.583 45.840 -8.694 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -32.104 46.197 -9.413 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -31.616 46.515 -8.016 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -33.234 43.080 -10.143 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -33.137 43.747 -10.823 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -33.374 42.264 -10.625 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -34.064 44.460 -4.522 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -34.214 43.515 -4.542 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -34.418 44.741 -3.678 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -34.354 42.043 -6.060 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -34.074 41.136 -5.935 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -33.595 42.477 -6.449 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -33.740 39.306 -6.011 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -33.558 38.857 -5.186 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -34.340 38.721 -6.475 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -34.337 37.096 -1.891 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -33.733 37.644 -2.392 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -35.206 37.416 -2.131 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -32.610 38.235 -3.557 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -31.998 37.721 -4.084 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -32.227 39.113 -3.534 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -37.016 37.580 -2.719 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -36.940 37.675 -3.668 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -37.292 36.672 -2.590 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -35.663 37.606 -7.026 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -36.366 38.220 -7.236 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -36.108 36.768 -6.895 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -42.096 55.643 -32.270 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -41.384 55.003 -32.284 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -42.197 55.910 -33.184 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -41.743 57.326 -30.216 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -41.874 56.850 -31.037 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -42.342 58.070 -30.272 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -36.800 55.676 -30.658 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -36.724 55.250 -29.804 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -35.907 55.690 -31.000 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -33.378 56.001 -27.177 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -34.277 56.140 -26.882 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -33.126 56.832 -27.579 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -33.740 58.162 -24.867 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -33.558 57.713 -24.042 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -34.340 57.577 -25.331 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -34.337 55.952 -20.747 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -33.733 56.500 -21.248 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -35.206 56.272 -20.987 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -32.610 57.091 -22.413 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -31.998 56.577 -22.940 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -32.227 57.969 -22.390 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -37.016 56.436 -21.575 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -36.940 56.531 -22.524 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -37.292 55.528 -21.446 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -35.663 56.462 -25.882 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -36.366 57.076 -26.092 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -36.108 55.624 -25.751 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -25.109 -22.212 7.636 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -24.341 -22.671 7.977 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -25.130 -22.438 6.706 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -18.532 -23.832 6.365 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -18.883 -24.688 6.608 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -17.806 -23.689 6.972 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -23.144 -27.351 6.403 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -23.472 -27.080 5.545 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -22.992 -28.292 6.315 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -20.000 -28.641 7.042 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -19.047 -28.557 7.014 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -20.160 -29.352 7.661 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -26.993 -25.325 18.180 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -27.363 -26.127 17.811 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -26.052 -25.494 18.227 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -29.673 -29.503 15.699 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -29.459 -30.273 16.226 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -28.935 -29.414 15.096 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -18.755 -32.563 18.786 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -18.612 -33.510 18.806 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -18.861 -32.356 17.857 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -17.878 -34.331 14.459 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -17.232 -34.660 15.084 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -17.368 -33.813 13.836 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -23.824 -30.515 16.036 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -23.208 -31.041 16.545 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -24.410 -31.155 15.632 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -12.841 -33.878 21.555 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -13.530 -33.220 21.460 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -12.826 -34.075 22.492 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -24.221 -27.868 20.420 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -24.961 -27.270 20.523 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -23.507 -27.314 20.104 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -25.813 -25.904 21.207 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -25.819 -25.025 20.829 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -26.667 -25.987 21.632 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -29.692 -26.233 11.989 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -29.964 -26.004 11.100 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -29.647 -25.395 12.449 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -20.443 -30.943 9.124 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -19.742 -30.921 9.775 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -20.141 -31.571 8.468 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -17.194 -31.017 22.105 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -17.114 -30.254 22.677 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -17.795 -30.738 21.414 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -25.079 -29.792 18.553 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -24.514 -29.671 17.790 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -24.760 -29.155 19.192 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -24.199 -25.393 23.270 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -24.511 -24.611 23.726 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -24.849 -25.546 22.584 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -18.220 -30.029 10.722 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -17.641 -29.879 11.469 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -17.806 -29.558 9.999 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -26.456 -29.491 12.509 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -26.748 -28.723 12.018 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -27.130 -30.151 12.346 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -30.612 -24.348 18.208 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -29.666 -24.492 18.189 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -30.725 -23.564 18.745 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -12.415 -23.682 23.890 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -12.464 -24.637 23.853 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -13.241 -23.414 24.292 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -21.436 -24.108 22.766 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -21.349 -23.282 23.241 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -22.300 -24.438 23.015 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -21.022 -20.336 12.572 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -21.097 -20.457 11.626 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -20.989 -19.386 12.691 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -27.368 -21.547 14.353 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -27.216 -21.895 15.232 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -28.219 -21.903 14.098 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -17.920 -21.182 9.575 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -17.545 -21.926 9.104 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -17.916 -21.452 10.493 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -18.251 -21.256 12.324 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -19.186 -21.156 12.503 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -17.971 -21.965 12.902 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -15.263 -32.189 24.370 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -15.670 -31.708 23.650 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -15.222 -33.094 24.063 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -16.743 -28.996 8.352 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -16.701 -29.219 7.422 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -15.894 -28.598 8.542 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -25.404 -32.369 19.458 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -26.046 -32.410 20.167 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -25.367 -31.443 19.220 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -25.407 -32.148 14.370 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -26.300 -32.489 14.311 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -24.956 -32.525 13.614 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -19.871 -31.732 13.187 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -20.280 -30.917 12.895 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -19.151 -31.872 12.572 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -18.867 -32.286 16.001 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -19.062 -31.681 15.286 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -18.685 -33.120 15.566 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -19.603 -30.648 20.672 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -19.279 -31.279 20.029 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -20.043 -31.183 21.333 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -22.825 -34.721 15.456 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -23.736 -34.664 15.745 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -22.320 -34.781 16.267 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -24.344 -33.092 11.939 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -23.412 -32.963 12.117 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -24.559 -32.422 11.290 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -25.670 -31.897 9.506 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -26.212 -32.277 8.815 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -24.836 -31.703 9.077 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -21.505 -31.933 17.343 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -20.941 -32.480 16.796 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -21.653 -32.455 18.132 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -22.879 -33.545 19.757 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -23.714 -33.091 19.867 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -22.355 -33.269 20.509 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -20.815 -27.148 22.679 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -21.161 -27.529 23.485 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -21.015 -26.214 22.750 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -17.719 -32.651 11.302 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -16.827 -32.788 11.621 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -17.662 -31.860 10.765 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -27.210 -28.037 17.211 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -26.465 -28.039 16.610 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -27.132 -28.861 17.693 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -12.870 -26.641 23.833 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -13.722 -26.403 23.466 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -12.280 -26.658 23.080 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -14.538 -23.655 11.461 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -14.911 -24.481 11.771 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -14.261 -23.838 10.564 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -29.080 -29.657 9.203 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -28.464 -29.030 9.582 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -29.942 -29.341 9.474 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -17.146 -25.679 9.282 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -16.793 -26.059 10.086 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -18.095 -25.772 9.368 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -16.280 -27.006 11.508 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -16.557 -27.734 12.064 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -15.353 -26.887 11.714 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -23.055 -24.567 7.729 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -22.816 -25.315 7.181 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -23.324 -24.955 8.561 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.665 -27.744 10.695 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -28.351 -27.392 11.262 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -27.142 -26.981 10.449 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -21.849 -33.702 12.906 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -21.037 -33.198 12.952 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -22.094 -33.847 13.820 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -16.507 -31.058 17.022 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -17.304 -31.473 16.693 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -16.062 -31.749 17.513 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -27.049 -25.130 9.592 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -26.457 -24.431 9.868 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -26.590 -25.563 8.873 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -28.995 -23.744 13.542 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -29.827 -23.271 13.569 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -28.449 -23.234 12.943 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -21.017 -22.704 7.867 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -21.661 -23.335 8.189 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -20.255 -23.235 7.635 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -18.532 -23.832 25.221 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -18.883 -24.688 25.464 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -17.806 -23.689 25.828 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -16.413 -22.887 8.101 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -16.130 -23.681 8.554 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -15.673 -22.654 7.540 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -25.458 -26.977 7.958 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -25.394 -27.771 8.489 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -24.805 -27.096 7.269 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -20.106 -25.930 7.694 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -20.374 -25.750 8.595 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -20.312 -26.856 7.563 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -17.409 -27.435 22.642 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -16.664 -26.847 22.522 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -18.166 -26.853 22.705 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -24.309 -29.005 10.264 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -24.768 -29.489 10.950 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -24.054 -29.673 9.628 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -23.238 -30.762 8.527 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -23.418 -30.916 7.599 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -22.287 -30.654 8.571 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -22.686 -29.948 21.435 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -21.935 -30.104 20.862 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -23.025 -29.096 21.159 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -16.954 -29.344 24.541 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -17.235 -28.635 23.963 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -16.011 -29.417 24.390 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -23.340 -20.071 9.528 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -22.407 -19.913 9.672 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -23.604 -19.396 8.903 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -29.772 -25.435 9.011 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -28.858 -25.356 9.284 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -29.765 -26.122 8.344 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.253 -21.961 15.893 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -30.587 -22.842 16.065 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -30.031 -21.616 16.757 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -14.690 -25.795 26.433 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -15.556 -25.900 26.827 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -14.314 -25.036 26.880 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -13.389 -27.538 11.947 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -12.539 -27.117 12.075 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -13.384 -28.278 12.555 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -12.995 -29.485 13.771 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -13.721 -29.964 14.169 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -12.414 -29.279 14.503 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -15.208 -30.964 14.334 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -15.358 -31.909 14.314 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -15.562 -30.683 15.178 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -14.352 -28.994 23.973 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -13.769 -29.728 24.164 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -13.788 -28.222 24.019 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -12.855 -31.091 24.657 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -13.718 -31.470 24.492 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -12.251 -31.830 24.583 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -15.498 -33.381 12.796 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -15.218 -34.288 12.921 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -14.739 -32.947 12.407 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -14.886 -32.800 18.232 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -13.953 -32.588 18.198 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -15.121 -32.698 19.155 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -14.857 -32.063 21.008 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -15.700 -31.795 21.374 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -14.414 -31.241 20.797 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -25.627 -23.158 21.247 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -26.052 -22.349 20.964 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -24.722 -23.073 20.945 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -21.316 -21.759 24.206 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -21.131 -22.093 25.084 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -20.469 -21.450 23.884 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -18.971 -20.474 23.450 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -18.294 -21.106 23.210 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -18.649 -20.072 24.258 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -25.758 -20.302 20.324 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -26.623 -20.230 20.728 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -25.813 -19.755 19.540 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -28.810 -21.279 18.205 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -28.829 -21.704 19.062 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -28.005 -21.597 17.796 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -26.669 -22.569 16.860 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -26.888 -23.485 17.029 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -25.845 -22.429 17.326 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -24.132 -22.099 17.708 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -23.919 -22.987 17.421 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -24.067 -22.133 18.663 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -29.559 -22.055 11.376 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -30.244 -22.093 10.708 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -29.556 -21.142 11.664 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -20.695 -20.845 9.773 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -19.829 -20.479 9.595 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -20.942 -21.285 8.960 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -13.986 -21.282 12.453 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -14.180 -22.030 11.888 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -14.025 -20.524 11.869 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -27.741 -21.135 8.401 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -28.009 -20.848 9.274 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -26.970 -21.681 8.553 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -14.768 -22.531 24.603 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -15.550 -22.717 24.083 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -14.840 -21.602 24.820 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -17.920 -21.182 28.431 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -17.545 -21.926 27.960 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -17.916 -21.452 29.349 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -12.642 -21.199 28.339 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -11.899 -20.613 28.199 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -13.337 -20.631 28.672 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -21.017 -22.704 26.723 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -21.661 -23.335 27.045 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -20.255 -23.235 26.491 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -16.413 -22.887 26.957 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -16.130 -23.681 27.410 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -15.673 -22.654 26.396 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -20.106 -25.930 26.550 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -20.374 -25.750 27.451 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -20.312 -26.856 26.419 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -13.848 -28.407 26.828 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -14.121 -28.832 26.015 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -13.808 -27.476 26.611 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -19.218 -9.789 14.633 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -19.129 -8.845 14.501 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -19.857 -10.064 13.975 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -20.285 -10.534 18.052 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -20.323 -11.180 18.757 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -20.608 -11.000 17.281 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -16.579 -7.595 16.354 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -17.020 -8.315 16.804 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -16.592 -6.874 16.984 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -21.896 -8.101 18.458 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -21.592 -8.787 17.864 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -21.174 -7.983 19.076 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -25.600 -15.606 16.058 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -25.557 -14.746 15.640 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -26.058 -16.158 15.425 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -17.878 -15.475 14.459 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -17.232 -15.804 15.084 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -17.368 -14.957 13.836 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -23.824 -11.659 16.036 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -23.208 -12.185 16.545 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -24.410 -12.299 15.632 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -26.790 -16.688 20.132 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -27.009 -16.158 19.366 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -27.458 -16.461 20.780 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -22.764 -19.382 17.585 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -22.881 -20.331 17.531 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -23.619 -19.050 17.858 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -17.815 -3.974 15.327 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -17.390 -4.681 14.842 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -17.498 -3.173 14.910 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -16.656 -6.073 13.836 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -16.913 -6.763 13.224 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -16.585 -6.516 14.681 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -17.091 -10.335 13.037 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -17.823 -10.107 13.610 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -16.644 -11.049 13.492 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -25.079 -10.936 18.553 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -24.514 -10.815 17.790 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -24.760 -10.299 19.192 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -18.770 -5.433 19.287 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -19.011 -4.771 19.935 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -18.968 -6.267 19.712 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -14.522 -19.423 10.535 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -15.421 -19.284 10.830 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -14.270 -18.592 10.133 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -25.495 -18.479 18.363 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -26.356 -18.566 17.955 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -25.517 -17.623 18.790 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -25.404 -13.513 19.458 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -26.046 -13.554 20.167 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -25.367 -12.587 19.220 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -19.871 -12.876 13.187 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -20.280 -12.061 12.895 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -19.151 -13.016 12.572 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -22.825 -15.865 15.456 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -23.736 -15.808 15.745 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -22.320 -15.925 16.267 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -15.133 -0.958 24.997 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -14.933 -0.534 24.162 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -14.477 -0.615 25.604 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -22.879 -14.689 19.757 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -23.714 -14.235 19.867 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -22.355 -14.413 20.509 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -20.815 -8.292 22.679 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -21.161 -8.673 23.485 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -21.015 -7.358 22.750 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -17.719 -13.795 11.302 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -16.827 -13.932 11.621 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -17.662 -13.004 10.765 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -23.185 -11.203 24.739 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -23.481 -11.369 23.844 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -22.254 -11.423 24.729 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -18.565 -5.830 22.629 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -19.466 -5.647 22.361 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -18.531 -5.571 23.550 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -12.834 -13.585 10.996 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -13.388 -13.981 10.324 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -12.733 -12.675 10.719 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -17.378 -9.991 18.483 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -18.306 -10.223 18.456 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -16.927 -10.768 18.153 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -19.349 -7.752 20.208 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -19.775 -7.979 21.034 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -18.768 -8.490 20.025 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -16.690 -3.200 22.677 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -17.292 -3.755 22.182 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -16.409 -2.533 22.051 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -16.280 -8.150 11.508 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -16.557 -8.878 12.064 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -15.353 -8.031 11.714 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -19.049 -16.574 12.071 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -18.829 -16.102 11.268 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -18.491 -16.179 12.742 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -21.849 -14.846 12.906 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -21.037 -14.342 12.952 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -22.094 -14.991 13.820 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -21.313 -13.860 22.091 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -21.194 -13.286 22.848 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -20.658 -14.548 22.206 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -20.965 -17.765 13.844 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -21.312 -17.147 14.489 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -20.307 -17.264 13.363 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -18.532 -4.976 25.221 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -18.883 -5.832 25.464 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -17.806 -4.833 25.828 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -23.144 -8.495 25.259 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -23.472 -8.224 24.401 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -22.992 -9.436 25.171 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -25.020 -12.256 22.620 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -25.638 -11.581 22.901 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -24.676 -11.935 21.787 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -24.680 -14.901 23.703 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -24.530 -15.630 23.100 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -24.678 -14.124 23.144 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -24.268 -16.531 21.195 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -23.732 -16.080 20.543 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -25.120 -16.639 20.773 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -22.686 -11.092 21.435 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -21.935 -11.248 20.862 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -23.025 -10.240 21.159 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -23.462 -19.075 21.627 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -23.560 -18.128 21.521 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -24.205 -19.447 21.151 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -22.198 -14.753 25.190 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -22.434 -14.973 26.092 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -22.981 -14.960 24.681 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -23.240 -19.781 24.298 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -22.528 -20.421 24.284 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -23.341 -19.514 23.384 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -22.887 -18.098 26.352 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -23.018 -18.574 25.531 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -23.486 -17.354 26.296 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -14.690 -6.939 26.433 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -15.556 -7.044 26.827 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -14.314 -6.180 26.880 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -13.389 -8.682 11.947 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -12.539 -8.261 12.075 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -13.384 -9.422 12.555 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -12.995 -10.629 13.771 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -13.721 -11.108 14.169 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -12.414 -10.423 14.503 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -12.727 -10.728 10.162 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -13.248 -10.371 9.443 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -12.760 -10.053 10.840 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -15.498 -14.525 12.796 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -15.218 -15.432 12.921 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -14.739 -14.091 12.407 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -12.574 -19.227 26.362 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -12.224 -19.881 25.756 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -12.427 -18.390 25.922 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -14.884 -17.262 12.845 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -14.702 -17.711 13.670 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -15.484 -17.847 12.381 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -15.966 -2.206 14.445 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -15.313 -2.553 13.837 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -15.455 -1.717 15.091 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -18.720 -2.680 20.445 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -19.624 -2.515 20.179 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -18.291 -1.827 20.379 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -16.115 -1.110 20.740 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -16.297 -0.194 20.529 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -15.939 -1.520 19.893 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -13.754 -18.333 15.299 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -13.142 -18.847 14.772 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -13.371 -17.455 15.322 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -28.297 -18.945 14.675 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -29.074 -19.179 14.167 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -27.766 -19.742 14.683 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -23.717 -19.018 14.488 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -22.843 -18.630 14.458 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -23.853 -19.233 15.411 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -16.807 -18.962 11.830 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -17.510 -18.348 11.620 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -17.252 -19.800 11.961 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -17.944 -19.748 25.910 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -17.868 -20.174 26.764 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -17.051 -19.734 25.568 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -14.768 -3.675 24.603 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -15.550 -3.861 24.083 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -14.840 -2.746 24.820 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -19.218 -9.789 33.489 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -19.129 -8.845 33.357 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -19.857 -10.064 32.831 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -17.878 -15.475 33.315 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -17.232 -15.804 33.940 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -17.368 -14.957 32.692 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -16.114 -16.184 35.296 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -16.329 -16.950 35.828 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -15.458 -15.712 35.809 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -16.656 -6.073 32.692 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -16.913 -6.763 32.080 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -16.585 -6.516 33.537 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -20.497 -10.545 30.941 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -21.209 -10.010 30.590 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -19.806 -10.489 30.281 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -17.091 -10.335 31.893 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -17.823 -10.107 32.466 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -16.644 -11.049 32.348 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -18.220 -11.173 29.578 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -17.641 -11.023 30.325 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -17.806 -10.702 28.855 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -14.522 -19.423 29.391 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -15.421 -19.284 29.686 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -14.270 -18.592 28.989 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -13.332 -5.057 27.768 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -13.259 -4.118 27.938 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -12.427 -5.362 27.711 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -21.170 -16.264 27.878 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -21.424 -16.245 28.801 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -21.427 -17.136 27.577 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -19.871 -12.876 32.043 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -20.280 -12.061 31.751 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -19.151 -13.016 31.428 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -24.288 -15.819 26.979 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -24.719 -16.264 27.709 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -25.006 -15.447 26.467 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -22.335 -8.476 30.298 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -23.079 -8.983 29.975 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -22.469 -8.427 31.244 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -17.719 -13.795 30.158 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -16.827 -13.932 30.477 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -17.662 -13.004 29.621 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -20.209 -7.017 29.323 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -20.504 -6.191 29.705 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -20.912 -7.637 29.519 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -14.538 -4.799 30.317 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -14.911 -5.625 30.627 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -14.261 -4.982 29.420 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -17.146 -6.823 28.138 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -16.793 -7.203 28.942 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -18.095 -6.916 28.224 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -12.642 -2.343 28.339 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -11.899 -1.757 28.199 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -13.337 -1.775 28.672 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -16.280 -8.150 30.364 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -16.557 -8.878 30.920 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -15.353 -8.031 30.570 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -19.049 -16.574 30.927 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -18.829 -16.102 30.124 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -18.491 -16.179 31.598 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -21.849 -14.846 31.762 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -21.037 -14.342 31.808 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -22.094 -14.991 32.676 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -16.413 -4.031 26.957 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -16.130 -4.825 27.410 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -15.673 -3.798 26.396 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -20.106 -7.074 26.550 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -20.374 -6.894 27.451 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -20.312 -8.000 26.419 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -24.309 -10.149 29.120 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -24.768 -10.633 29.806 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -24.054 -10.817 28.484 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -23.238 -11.906 27.383 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -23.418 -12.060 26.455 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -22.287 -11.798 27.427 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -13.389 -8.682 30.803 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -12.539 -8.261 30.931 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -13.384 -9.422 31.411 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -12.995 -10.629 32.627 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -13.721 -11.108 33.025 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -12.414 -10.423 33.359 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -15.208 -12.108 33.190 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -15.358 -13.053 33.170 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -15.562 -11.827 34.034 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -14.884 -17.262 31.701 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -14.702 -17.711 32.526 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -15.484 -17.847 31.237 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -13.018 -17.195 28.229 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -12.605 -17.916 27.753 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -12.336 -16.525 28.287 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -13.754 -18.333 34.155 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -13.142 -18.847 33.628 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -13.371 -17.455 34.178 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -16.807 -18.962 30.686 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -17.510 -18.348 30.476 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -17.252 -19.800 30.817 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -13.986 -2.426 31.309 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -14.180 -3.174 30.744 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -14.025 -1.668 30.725 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -25.960 14.391 -13.678 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -25.952 14.255 -14.626 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -26.876 14.273 -13.426 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -21.436 13.604 -14.946 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -21.349 14.430 -14.471 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -22.300 13.274 -14.697 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -15.133 17.898 -12.715 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -14.933 18.322 -13.550 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -14.477 18.241 -12.108 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -16.690 15.656 -15.035 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -17.292 15.101 -15.530 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -16.409 16.323 -15.661 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -25.109 15.500 -11.220 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -24.341 15.041 -10.879 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -25.130 15.274 -12.150 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -18.532 13.880 -12.491 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -18.883 13.024 -12.248 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -17.806 14.023 -11.884 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -21.316 15.953 -13.506 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -21.131 15.619 -12.628 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -20.469 16.262 -13.828 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -18.971 17.238 -14.262 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -18.294 16.606 -14.502 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -18.649 17.640 -13.454 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -18.720 16.176 -17.267 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -19.624 16.341 -17.533 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -18.291 17.029 -17.333 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -16.115 17.746 -16.972 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -16.297 18.662 -17.183 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -15.939 17.336 -17.819 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -14.768 15.181 -13.109 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -15.550 14.995 -13.629 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -14.840 16.110 -12.892 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -16.579 11.261 -2.502 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -17.020 10.541 -2.052 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -16.592 11.982 -1.872 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -21.896 10.755 -0.398 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.592 10.069 -0.992 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -21.174 10.873 0.220 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -19.421 11.668 -5.180 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -19.717 11.346 -6.031 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -19.745 12.568 -5.138 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -16.656 12.783 -5.020 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -16.913 12.093 -5.632 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -16.585 12.340 -4.175 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -14.970 11.349 3.457 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -14.830 10.758 2.718 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -14.802 12.222 3.101 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -13.128 7.689 1.523 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -13.780 8.384 1.612 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -12.663 7.899 0.713 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -24.079 12.579 -1.255 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -24.174 12.001 -2.012 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -23.350 12.208 -0.759 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -24.199 12.319 4.414 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -24.511 13.101 4.870 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -24.849 12.166 3.728 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -20.494 14.420 -4.699 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -20.020 14.715 -3.921 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -21.057 15.158 -4.932 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -25.960 14.391 5.178 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -25.952 14.255 4.230 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -26.876 14.273 5.430 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -13.332 13.799 -9.944 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -13.259 14.738 -9.774 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -12.427 13.494 -10.001 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -12.415 14.030 5.034 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -12.464 13.075 4.997 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -13.241 14.298 5.436 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -21.436 13.604 3.910 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -21.349 14.430 4.385 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -22.300 13.274 4.159 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -27.368 16.165 -4.503 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -27.216 15.817 -3.624 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -28.219 15.809 -4.758 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -15.185 9.513 1.372 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -14.543 9.970 0.829 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -16.015 9.626 0.910 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -20.815 10.564 3.823 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -21.161 10.183 4.629 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -21.015 11.498 3.894 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -20.209 11.839 -8.389 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -20.504 12.665 -8.007 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -20.912 11.219 -8.193 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -18.565 13.026 3.773 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -19.466 13.209 3.505 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -18.531 13.285 4.694 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -12.870 11.071 4.977 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -13.722 11.309 4.610 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -12.280 11.054 4.224 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -14.538 14.057 -7.395 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -14.911 13.231 -7.085 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -14.261 13.874 -8.292 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -17.378 8.865 -0.373 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -18.306 8.633 -0.400 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -16.927 8.088 -0.703 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -24.835 13.193 -4.240 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -24.308 13.966 -4.441 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -25.715 13.418 -4.542 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -22.893 15.005 1.651 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -22.530 15.860 1.418 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -22.361 14.713 2.392 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -24.724 15.878 -5.119 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -25.674 15.983 -5.067 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -24.373 16.698 -4.774 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -19.349 11.104 1.352 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -19.775 10.877 2.178 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -18.768 10.366 1.169 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -17.146 12.033 -9.574 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -16.793 11.653 -8.770 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -18.095 11.940 -9.488 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -28.917 14.694 1.663 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -28.700 13.762 1.632 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -28.670 14.968 2.547 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -23.055 13.145 -11.127 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -22.816 12.397 -11.675 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -23.324 12.757 -10.295 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -24.118 12.715 -8.671 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -23.971 12.195 -7.881 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -24.121 13.622 -8.365 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -21.380 14.413 -7.922 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -22.197 14.910 -7.869 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -20.851 14.888 -8.562 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -24.042 15.456 -7.940 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -23.881 16.256 -8.441 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -24.239 15.763 -7.055 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -25.109 15.500 7.636 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -24.341 15.041 7.977 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -25.130 15.274 6.706 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -21.017 15.008 -10.989 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -21.661 14.377 -10.667 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -20.255 14.477 -11.221 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -16.413 14.825 -10.755 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -16.130 14.031 -10.302 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -15.673 15.058 -11.316 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -20.106 11.782 -11.162 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -20.374 11.962 -10.261 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -20.312 10.856 -11.293 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -17.409 10.277 3.786 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -16.664 10.865 3.666 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -18.166 10.859 3.849 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -20.000 9.071 7.042 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -19.047 9.155 7.014 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -20.160 8.360 7.661 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -18.270 5.579 7.607 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -18.078 4.648 7.496 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -17.413 6.004 7.597 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -16.954 8.368 5.685 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -17.235 9.077 5.107 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -16.011 8.295 5.534 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -14.690 11.917 7.577 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -15.556 11.812 7.971 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -14.314 12.676 8.024 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -14.352 8.718 5.117 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -13.769 7.984 5.308 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -13.788 9.490 5.163 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -25.627 14.554 2.391 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -26.052 15.363 2.108 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -24.722 14.639 2.089 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -28.225 17.810 2.438 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -28.945 18.250 1.987 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -28.591 17.559 3.287 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -28.810 16.433 -0.651 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -28.829 16.008 0.206 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -28.005 16.115 -1.060 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -26.669 15.143 -1.996 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -26.888 14.227 -1.827 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -25.845 15.283 -1.530 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -24.132 15.613 -1.148 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -23.919 14.725 -1.435 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -24.067 15.579 -0.193 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -27.741 16.577 -10.455 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -28.009 16.864 -9.582 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -26.970 16.031 -10.303 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -14.768 15.181 5.747 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -15.550 14.995 5.227 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -14.840 16.110 5.964 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -19.218 9.067 14.633 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -19.129 10.011 14.501 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -19.857 8.792 13.975 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -20.285 8.322 18.052 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -20.323 7.676 18.757 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -20.608 7.856 17.281 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -19.468 16.366 16.566 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -18.848 15.689 16.293 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -19.676 16.148 17.474 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -21.896 10.755 18.458 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -21.592 10.069 17.864 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -21.174 10.873 19.076 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -18.755 5.149 18.786 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -18.612 4.202 18.806 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -18.861 5.356 17.857 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -17.878 3.381 14.459 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -17.232 3.052 15.084 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -17.368 3.899 13.836 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -16.114 2.672 16.440 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -16.329 1.906 16.972 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -15.458 3.144 16.953 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -14.970 11.349 22.313 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -14.830 10.758 21.574 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -14.802 12.222 21.957 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -20.497 8.311 12.085 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -21.209 8.846 11.734 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -19.806 8.367 11.425 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -20.443 6.769 9.124 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -19.742 6.791 9.775 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -20.141 6.141 8.468 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -17.194 6.695 22.105 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -17.114 7.458 22.677 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -17.795 6.974 21.414 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -18.770 13.423 19.287 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -19.011 14.085 19.935 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -18.968 12.589 19.712 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -18.220 7.683 10.722 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -17.641 7.833 11.469 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -17.806 8.154 9.999 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -20.494 14.420 14.157 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -20.020 14.715 14.935 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -21.057 15.158 13.924 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -12.415 14.030 23.890 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -12.464 13.075 23.853 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -13.241 14.298 24.292 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -21.022 17.376 12.572 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -21.097 17.255 11.626 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -20.989 18.326 12.691 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -17.506 3.855 22.591 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -18.020 3.729 23.388 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -17.661 4.767 22.346 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -16.743 8.716 8.352 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -16.701 8.493 7.422 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -15.894 9.114 8.542 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -19.871 5.980 13.187 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -20.280 6.795 12.895 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -19.151 5.840 12.572 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -18.867 5.426 16.001 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -19.062 6.031 15.286 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -18.685 4.592 15.566 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -19.603 7.064 20.672 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.279 6.433 20.029 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -20.043 6.529 21.333 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -18.420 2.226 18.720 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -19.097 2.357 19.384 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -18.906 2.071 17.910 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -22.335 10.380 11.442 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -23.079 9.873 11.119 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -22.469 10.429 12.388 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -17.719 5.061 11.302 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -16.827 4.924 11.621 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -17.662 5.852 10.765 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -20.209 11.839 10.467 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -20.504 12.665 10.849 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -20.912 11.219 10.663 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -18.565 13.026 22.629 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -19.466 13.209 22.361 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -18.531 13.285 23.550 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -12.834 5.271 10.996 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -13.388 4.875 10.324 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -12.733 6.181 10.719 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -12.870 11.071 23.833 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -13.722 11.309 23.466 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -12.280 11.054 23.080 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -17.378 8.865 18.483 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -18.306 8.633 18.456 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -16.927 8.088 18.153 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -23.408 10.856 14.192 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -23.649 11.781 14.234 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -24.148 10.397 14.588 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -24.724 15.878 13.737 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -25.674 15.983 13.789 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -24.373 16.698 14.082 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -19.349 11.104 20.208 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -19.775 10.877 21.034 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -18.768 10.366 20.025 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.146 12.033 9.282 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -16.793 11.653 10.086 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -18.095 11.940 9.368 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -16.690 15.656 22.677 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -17.292 15.101 22.182 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -16.409 16.323 22.051 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -23.055 13.145 7.729 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -22.816 12.397 7.181 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -23.324 12.757 8.561 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -24.118 12.715 10.185 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -23.971 12.195 10.975 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -24.121 13.622 10.491 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -19.833 2.630 20.974 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -19.135 2.704 21.624 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -20.214 1.766 21.129 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -21.380 14.413 10.934 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -22.197 14.910 10.987 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -20.851 14.888 10.294 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -24.042 15.456 10.916 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -23.881 16.256 10.415 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -24.239 15.763 11.801 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -16.507 6.654 17.022 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -17.304 6.239 16.693 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -16.062 5.963 17.513 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -20.106 11.782 7.694 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -20.374 11.962 8.595 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -20.312 10.856 7.563 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -17.409 10.277 22.642 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -16.664 10.865 22.522 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -18.166 10.859 22.705 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -13.848 9.305 7.972 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -14.121 8.880 7.159 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -13.808 10.236 7.755 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -18.270 5.579 26.463 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -18.078 4.648 26.352 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -17.413 6.004 26.453 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -16.954 8.368 24.541 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -17.235 9.077 23.963 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -16.011 8.295 24.390 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -19.482 3.230 24.266 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -20.430 3.262 24.398 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -19.170 2.605 24.920 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -17.848 1.864 26.271 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -17.945 0.912 26.265 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -18.170 2.133 27.132 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -23.340 17.641 9.528 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -22.407 17.799 9.672 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -23.604 18.316 8.903 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -13.141 16.127 21.795 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -13.628 15.392 21.424 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -12.592 15.734 22.473 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -14.690 11.917 26.433 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -15.556 11.812 26.827 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -14.314 12.676 26.880 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -12.727 8.128 10.162 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -13.248 8.485 9.443 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -12.760 8.803 10.840 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -14.378 5.368 8.713 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -14.281 6.035 8.033 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -14.518 4.552 8.231 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -15.498 4.331 12.796 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -15.218 3.424 12.921 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -14.739 4.765 12.407 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -14.884 1.594 12.845 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -14.702 1.145 13.670 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -15.484 1.009 12.381 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -18.720 16.176 20.445 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -19.624 16.341 20.179 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -18.291 17.029 20.379 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -16.115 17.746 20.740 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -16.297 18.662 20.529 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -15.939 17.336 19.893 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -15.481 -0.616 16.965 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -14.877 -0.068 16.464 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -16.350 -0.296 16.725 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -13.754 0.523 15.299 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -13.142 0.009 14.772 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -13.371 1.401 15.322 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -18.160 -0.132 16.137 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -18.084 -0.037 15.188 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -18.436 -1.040 16.266 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -27.741 16.577 8.401 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -28.009 16.864 9.274 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -26.970 16.031 8.553 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -17.944 -0.892 25.910 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -17.868 -1.318 26.764 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -17.051 -0.878 25.568 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -14.768 15.181 24.603 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -15.550 14.995 24.083 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -14.840 16.110 24.820 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -14.522 -0.567 29.391 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -15.421 -0.428 29.686 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -14.270 0.264 28.989 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -13.332 13.799 27.768 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -13.259 14.738 27.938 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -12.427 13.494 27.711 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -16.743 8.716 27.208 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -16.701 8.493 26.278 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -15.894 9.114 27.398 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -12.834 5.271 29.852 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -13.388 4.875 29.180 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -12.733 6.181 29.575 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -13.389 10.174 30.803 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -12.539 10.595 30.931 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -13.384 9.434 31.411 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -12.995 8.227 32.627 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -13.721 7.748 33.025 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -12.414 8.433 33.359 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -12.727 8.128 29.018 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -13.248 8.485 28.299 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -12.760 8.803 29.696 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -14.378 5.368 27.569 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -14.281 6.035 26.889 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -14.518 4.552 27.087 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -15.130 2.776 26.686 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -14.520 2.404 27.323 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -15.967 2.354 26.882 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -14.884 1.594 31.701 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -14.702 1.145 32.526 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -15.484 1.009 31.237 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -13.018 1.661 28.229 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -12.605 0.940 27.753 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -12.336 2.331 28.287 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -28.917 33.550 -36.049 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -28.700 32.618 -36.080 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -28.670 33.824 -35.165 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -29.706 35.437 -31.696 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -29.166 35.220 -30.937 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -30.187 34.631 -31.886 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -31.123 36.526 -42.480 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -31.770 36.064 -43.013 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -30.768 35.854 -41.897 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -28.581 32.435 -31.580 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -29.402 32.610 -32.040 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -28.833 32.362 -30.659 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -28.225 36.666 -35.274 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -28.945 37.106 -35.725 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -28.591 36.415 -34.425 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -25.758 36.266 -36.244 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -26.623 36.338 -35.840 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -25.813 36.813 -37.028 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -28.810 35.289 -38.363 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -28.829 34.864 -37.506 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -28.005 34.971 -38.772 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -20.285 27.178 -19.660 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -20.323 26.532 -18.955 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -20.608 26.712 -20.431 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -16.579 30.117 -21.358 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -17.020 29.397 -20.908 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -16.592 30.838 -20.728 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -26.993 31.243 -19.532 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -27.363 30.441 -19.901 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -26.052 31.074 -19.485 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -19.468 35.222 -21.146 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -18.848 34.545 -21.419 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -19.676 35.004 -20.238 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -21.896 29.611 -19.254 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -21.592 28.925 -19.848 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -21.174 29.729 -18.636 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -18.755 24.005 -18.926 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -18.612 23.058 -18.906 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -18.861 24.212 -19.855 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -12.841 22.690 -16.157 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -13.530 23.348 -16.252 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -12.826 22.493 -15.220 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -24.221 28.700 -17.292 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -24.961 29.298 -17.189 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -23.507 29.254 -17.608 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -25.813 30.664 -16.505 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -25.819 31.543 -16.883 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -26.667 30.581 -16.080 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -16.067 31.957 -19.010 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -17.009 32.015 -18.849 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -15.791 32.863 -19.147 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -13.128 26.545 -17.333 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -13.780 27.240 -17.244 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -12.663 26.755 -18.143 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -17.194 25.551 -15.607 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -17.114 26.314 -15.035 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -17.795 25.830 -16.298 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -24.079 31.435 -20.111 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.174 30.857 -20.868 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -23.350 31.064 -19.615 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -25.079 26.776 -19.159 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -24.514 26.897 -19.922 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -24.760 27.413 -18.520 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -18.770 32.279 -18.425 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -19.011 32.941 -17.777 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -18.968 31.445 -18.000 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -27.279 27.373 -15.213 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -27.209 28.024 -14.515 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -28.170 27.476 -15.548 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -20.494 33.276 -23.555 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -20.020 33.571 -22.777 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.057 34.014 -23.788 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -30.363 29.440 -16.388 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -30.864 29.412 -17.203 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -30.357 28.534 -16.078 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -30.612 32.220 -19.504 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -29.666 32.076 -19.523 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -30.725 33.004 -18.967 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -21.022 36.232 -25.140 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -21.097 36.111 -26.086 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -20.989 37.182 -25.021 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -27.368 35.021 -23.359 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -27.216 34.673 -22.480 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -28.219 34.665 -23.614 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -15.263 24.379 -13.342 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -15.670 24.860 -14.062 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -15.222 23.474 -13.649 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -20.832 18.955 -15.975 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -20.412 18.540 -15.222 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -21.765 18.777 -15.858 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -17.506 22.711 -15.121 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -18.020 22.585 -14.324 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -17.661 23.623 -15.366 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -19.603 25.920 -17.040 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -19.279 25.289 -17.683 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -20.043 25.385 -16.379 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -22.879 23.023 -17.955 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -23.714 23.477 -17.845 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -22.355 23.299 -17.203 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -15.185 28.369 -17.484 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -14.543 28.826 -18.027 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -16.015 28.482 -17.946 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -27.210 28.531 -20.501 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -26.465 28.529 -21.102 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -27.132 27.707 -20.019 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -30.202 26.992 -15.186 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -29.979 26.574 -14.354 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -30.804 26.379 -15.608 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -17.378 27.721 -19.229 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -18.306 27.489 -19.256 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -16.927 26.944 -19.559 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -24.835 32.049 -23.096 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -24.308 32.822 -23.297 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -25.715 32.274 -23.398 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -23.408 29.712 -23.520 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -23.649 30.637 -23.478 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.148 29.253 -23.124 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -24.724 34.734 -23.975 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -25.674 34.839 -23.923 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -24.373 35.554 -23.630 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -19.349 29.960 -17.504 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -19.775 29.733 -16.678 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -18.768 29.222 -17.687 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -19.833 21.486 -16.738 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -19.135 21.560 -16.088 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -20.214 20.622 -16.583 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -21.313 23.852 -15.621 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -21.194 24.426 -14.864 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -20.658 23.164 -15.506 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -24.042 34.312 -26.796 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -23.881 35.112 -27.297 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -24.239 34.619 -25.911 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -15.109 21.759 -14.786 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -16.025 22.022 -14.874 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -14.773 21.756 -15.683 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -15.420 34.766 -19.068 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -15.576 35.444 -19.725 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -14.488 34.838 -18.865 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -28.995 32.824 -24.170 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -29.827 33.297 -24.143 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -28.449 33.334 -24.769 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -28.967 26.447 -12.466 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -28.559 25.590 -12.587 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -29.227 26.462 -11.545 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -25.020 25.456 -15.092 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -25.638 26.131 -14.811 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -24.676 25.777 -15.925 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -24.680 22.811 -14.009 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -24.530 22.082 -14.612 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -24.678 23.588 -14.568 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -24.268 21.181 -16.517 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -23.732 21.632 -17.169 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -25.120 21.073 -16.939 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -22.686 26.620 -16.277 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -21.935 26.464 -16.850 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -23.025 27.472 -16.553 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -26.202 24.009 -12.098 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -26.969 23.477 -12.308 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -25.523 23.699 -12.697 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -23.462 18.637 -16.085 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -23.560 19.584 -16.191 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -24.205 18.265 -16.561 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -28.021 21.930 -12.393 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -27.810 21.223 -13.004 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -28.133 21.492 -11.549 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -23.240 17.931 -13.414 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -22.528 17.291 -13.428 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -23.341 18.198 -14.328 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -30.253 34.607 -21.819 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -30.587 33.726 -21.647 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -30.031 34.952 -20.955 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -12.704 35.416 -18.839 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -12.726 35.601 -17.900 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -12.014 35.985 -19.180 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -13.141 34.983 -15.917 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -13.628 34.248 -16.288 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -12.592 34.590 -15.239 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -13.236 29.868 -18.993 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -12.402 29.490 -19.274 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -13.124 30.811 -19.112 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -14.352 27.574 -13.739 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -13.769 26.840 -13.548 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -13.788 28.346 -13.693 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -12.855 25.477 -13.055 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -13.718 25.098 -13.220 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -12.251 24.738 -13.129 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -14.857 24.505 -16.704 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -15.700 24.773 -16.338 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -14.414 25.327 -16.915 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -12.574 18.485 -11.350 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -12.224 17.831 -11.956 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -12.427 19.322 -11.790 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -13.054 20.594 -13.001 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -13.971 20.865 -13.037 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -12.931 20.059 -13.785 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -14.053 18.684 -15.182 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -14.866 19.009 -15.570 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -13.820 17.924 -15.715 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -21.047 36.154 -18.212 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -21.504 36.683 -18.866 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -20.884 36.757 -17.487 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -18.720 35.032 -17.267 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -19.624 35.197 -17.533 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -18.291 35.885 -17.333 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -16.115 36.602 -16.972 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -16.297 37.518 -17.183 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -15.939 36.192 -17.819 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -29.559 34.513 -26.336 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -30.244 34.475 -27.004 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -29.556 35.426 -26.048 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -26.366 18.632 -11.984 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -25.467 18.358 -12.169 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -26.752 17.889 -11.520 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -27.741 35.433 -29.311 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -28.009 35.720 -28.438 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -26.970 34.887 -29.159 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -27.917 26.793 0.789 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -27.875 26.167 1.513 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -27.214 27.416 0.971 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -26.993 31.243 -0.676 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -27.363 30.441 -1.045 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -26.052 31.074 -0.629 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -30.383 24.903 -5.283 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -30.831 25.749 -5.301 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -30.944 24.323 -5.798 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -28.980 24.503 -2.036 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -28.326 23.953 -1.604 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -28.956 24.229 -2.952 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -26.790 21.024 1.276 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -27.009 21.554 0.510 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -27.458 21.251 1.924 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -24.079 31.435 -1.255 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -24.174 30.857 -2.012 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -23.350 31.064 -0.759 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -25.079 26.776 -0.303 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -24.514 26.897 -1.066 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -24.760 27.413 0.336 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -27.279 27.373 3.643 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -27.209 28.024 4.341 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -28.170 27.476 3.308 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -25.960 33.247 5.178 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -25.952 33.111 4.230 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -26.876 33.129 5.430 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -30.363 29.440 2.468 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -30.864 29.412 1.653 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -30.357 28.534 2.778 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -30.612 32.220 -0.648 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -29.666 32.076 -0.667 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -30.725 33.004 -0.111 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -28.114 30.763 3.511 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -27.897 30.402 4.371 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -28.969 30.389 3.301 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -25.407 24.420 -4.486 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -26.300 24.079 -4.545 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -24.956 24.043 -5.242 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -20.769 25.011 5.819 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -21.332 24.307 6.139 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -19.943 24.891 6.286 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -27.654 24.519 2.469 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -27.692 24.919 3.337 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -28.145 23.702 2.559 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -24.288 21.893 -10.733 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -24.719 21.448 -10.003 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -25.006 22.265 -11.245 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -29.771 22.381 -8.257 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -29.297 22.972 -8.842 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -30.489 22.912 -7.910 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -27.997 23.476 -4.573 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -28.886 23.576 -4.913 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -27.701 22.634 -4.919 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -24.344 23.476 -6.917 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -23.412 23.605 -6.739 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -24.559 24.146 -7.566 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -25.670 24.671 -9.350 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -26.212 24.291 -10.041 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -24.836 24.865 -9.779 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -27.535 29.228 5.749 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -26.802 29.482 6.310 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -28.315 29.432 6.264 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -26.503 20.771 -5.095 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -26.820 19.869 -5.130 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -25.722 20.773 -5.647 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -23.185 26.509 5.883 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -23.481 26.343 4.988 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -22.254 26.289 5.873 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -29.080 26.911 -9.653 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -28.464 27.538 -9.274 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -29.942 27.227 -9.382 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -28.568 21.745 3.228 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -29.461 22.084 3.161 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -28.667 20.890 3.646 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -28.917 33.550 1.663 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -28.700 32.618 1.632 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -28.670 33.824 2.547 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -25.308 21.010 -8.324 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -25.391 21.899 -7.978 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -24.418 20.745 -8.093 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -28.733 24.102 -10.148 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -28.778 25.041 -9.969 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -29.621 23.866 -10.418 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -27.925 18.884 -1.475 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -28.154 18.943 -2.402 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -28.368 18.092 -1.168 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -29.706 35.437 6.016 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -29.166 35.220 6.775 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -30.187 34.631 5.826 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -25.109 34.356 7.636 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -24.341 33.897 7.977 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -25.130 34.130 6.706 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -29.799 29.247 6.970 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -29.655 28.345 6.684 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -30.572 29.533 6.482 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -28.967 26.447 6.390 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -28.559 25.590 6.269 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -29.227 26.462 7.311 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -25.020 25.456 3.764 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -25.638 26.131 4.045 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -24.676 25.777 2.931 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -20.000 27.927 7.042 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -19.047 28.011 7.014 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -20.160 27.216 7.661 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -24.680 22.811 4.847 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -24.530 22.082 4.244 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -24.678 23.588 4.288 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -26.202 24.009 6.758 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -26.969 23.477 6.548 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -25.523 23.699 6.159 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -28.021 21.930 6.463 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -27.810 21.223 5.852 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -28.133 21.492 7.307 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -30.173 27.682 -0.512 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -29.989 27.600 -1.447 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -29.324 27.558 -0.088 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -15.130 21.632 -11.026 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -14.520 21.260 -10.389 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -15.967 21.210 -10.830 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -29.354 21.265 -1.480 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -28.909 20.473 -1.178 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -28.888 21.981 -1.049 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -31.050 24.264 -0.411 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -30.558 24.043 -1.201 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -30.688 25.105 -0.130 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -30.773 19.260 1.988 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -31.438 19.014 2.631 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -31.216 19.882 1.411 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -28.581 32.435 6.132 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -29.402 32.610 5.672 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -28.833 32.362 7.053 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -28.225 36.666 2.438 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -28.945 37.106 1.987 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -28.591 36.415 3.287 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -28.810 35.289 -0.651 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -28.829 34.864 0.206 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -28.005 34.971 -1.060 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -26.669 33.999 -1.996 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -26.888 33.083 -1.827 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -25.845 34.139 -1.530 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -28.297 18.767 -4.181 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -29.074 18.533 -4.689 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -27.766 17.970 -4.173 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -23.717 18.694 -4.368 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -22.843 19.082 -4.398 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -23.853 18.479 -3.445 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -27.599 20.481 -9.935 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -27.108 19.851 -10.463 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -26.976 20.777 -9.272 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -28.339 19.281 5.336 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -28.705 18.516 5.779 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -27.426 19.310 5.623 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -26.366 18.632 6.872 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -25.467 18.358 6.687 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -26.752 17.889 7.336 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -19.218 27.923 14.633 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -19.129 28.867 14.501 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -19.857 27.648 13.975 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.285 27.178 18.052 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -20.323 26.532 18.757 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -20.608 26.712 17.281 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -18.755 24.005 18.786 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -18.612 23.058 18.806 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -18.861 24.212 17.857 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -25.600 22.106 16.058 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -25.557 22.966 15.640 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -26.058 21.554 15.425 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -23.824 26.053 16.036 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -23.208 25.527 16.545 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -24.410 25.413 15.632 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -12.841 22.690 21.555 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -13.530 23.348 21.460 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -12.826 22.493 22.492 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -19.421 30.524 13.676 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -19.717 30.202 12.825 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -19.745 31.424 13.718 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -15.767 20.243 20.119 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -16.503 20.854 20.081 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -15.083 20.658 19.593 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -22.764 18.330 17.585 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -22.881 17.381 17.531 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -23.619 18.662 17.858 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -17.815 33.738 15.327 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -17.390 33.031 14.842 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -17.498 34.539 14.910 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -16.656 31.639 13.836 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -16.913 30.949 13.224 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -16.585 31.196 14.681 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -20.497 27.167 12.085 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -21.209 27.702 11.734 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -19.806 27.223 11.425 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -13.128 26.545 20.379 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -13.780 27.240 20.468 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -12.663 26.755 19.569 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -17.091 27.377 13.037 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -17.823 27.605 13.610 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -16.644 26.663 13.492 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -26.456 27.077 12.509 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -26.748 27.845 12.018 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -27.130 26.417 12.346 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -21.022 36.232 12.572 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -21.097 36.111 11.626 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -20.989 37.182 12.691 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -18.251 35.312 12.324 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -19.186 35.412 12.503 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -17.971 34.603 12.902 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -25.407 24.420 14.370 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -26.300 24.079 14.311 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -24.956 24.043 13.614 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -18.867 24.282 16.001 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -19.062 24.887 15.286 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -18.685 23.448 15.566 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -24.288 21.893 8.123 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -24.719 21.448 8.853 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -25.006 22.265 7.611 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -27.997 23.476 14.283 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -28.886 23.576 13.943 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -27.701 22.634 13.937 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -18.420 21.082 18.720 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -19.097 21.213 19.384 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -18.906 20.927 17.910 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -25.670 24.671 9.506 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -26.212 24.291 8.815 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -24.836 24.865 9.077 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -21.505 24.635 17.343 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -20.941 24.088 16.796 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -21.653 24.113 18.132 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -26.503 20.771 13.761 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -26.820 19.869 13.726 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -25.722 20.773 13.209 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -22.879 23.023 19.757 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -23.714 23.477 19.867 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -22.355 23.299 20.509 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -22.335 29.236 11.442 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -23.079 28.729 11.119 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -22.469 29.285 12.388 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -20.209 30.695 10.467 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -20.504 31.521 10.849 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.912 30.075 10.663 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -12.834 24.127 10.996 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -13.388 23.731 10.324 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -12.733 25.037 10.719 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -14.538 32.913 11.461 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -14.911 32.087 11.771 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -14.261 32.730 10.564 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -16.280 29.562 11.508 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -16.557 28.834 12.064 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -15.353 29.681 11.714 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -23.055 32.001 7.729 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -22.816 31.253 7.181 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -23.324 31.613 8.561 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -24.118 31.571 10.185 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -23.971 31.051 10.975 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -24.121 32.478 10.491 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -21.380 33.269 10.934 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -22.197 33.766 10.987 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -20.851 33.744 10.294 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -25.308 21.010 10.532 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -25.391 21.899 10.878 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -24.418 20.745 10.763 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -15.109 21.759 22.926 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -16.025 22.022 22.838 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -14.773 21.756 22.029 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -16.507 25.510 17.022 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -17.304 25.095 16.693 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -16.062 24.819 17.513 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -27.049 31.438 9.592 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -26.457 32.137 9.868 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -26.590 31.005 8.873 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -21.017 33.864 7.867 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -21.661 33.233 8.189 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -20.255 33.333 7.635 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -25.458 29.591 7.958 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -25.394 28.797 8.489 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -24.805 29.472 7.269 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -24.309 27.563 10.264 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -24.768 27.079 10.950 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -24.054 26.895 9.628 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -23.238 25.806 8.527 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -23.418 25.652 7.599 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -22.287 25.914 8.571 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -23.340 36.497 9.528 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -22.407 36.655 9.672 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -23.604 37.172 8.903 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -12.995 27.083 13.771 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -13.721 26.604 14.169 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -12.414 27.289 14.503 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -14.378 24.224 8.713 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -14.281 24.891 8.033 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -14.518 23.408 8.231 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -15.208 25.604 14.334 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -15.358 24.659 14.314 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -15.562 25.885 15.178 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -14.886 23.768 18.232 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -13.953 23.980 18.198 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -15.121 23.870 19.155 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -14.857 24.505 21.008 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -15.700 24.773 21.374 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -14.414 25.327 20.797 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -13.018 20.517 9.373 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -12.605 19.796 8.897 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -12.336 21.187 9.431 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -15.966 35.506 14.445 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -15.313 35.159 13.837 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -15.455 35.995 15.091 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -14.053 18.684 22.530 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -14.866 19.009 22.142 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -13.820 17.924 21.997 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -20.623 20.133 16.853 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -21.298 19.504 17.108 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -20.059 19.649 16.250 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -23.717 18.694 14.488 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -22.843 19.082 14.458 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -23.853 18.479 15.411 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -18.160 18.724 16.137 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -18.084 18.819 15.188 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -18.436 17.816 16.266 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -27.599 20.481 8.921 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -27.108 19.851 8.393 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -26.976 20.777 9.584 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -20.695 35.723 9.773 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -19.829 36.089 9.595 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -20.942 35.283 8.960 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -13.986 35.286 12.453 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -14.180 34.538 11.888 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -14.025 36.044 11.869 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -27.741 35.433 8.401 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -28.009 35.720 9.274 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -26.970 34.887 8.553 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -27.917 45.649 -36.923 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -27.875 45.023 -36.199 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -27.214 46.272 -36.741 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -30.383 43.759 -42.995 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -30.831 44.605 -43.013 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -30.944 43.179 -43.510 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -29.673 45.921 -40.869 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -29.459 45.151 -40.342 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -28.935 46.010 -41.472 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -25.600 40.962 -40.510 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -25.557 41.822 -40.928 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -26.058 40.410 -41.143 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -26.790 39.880 -36.436 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -27.009 40.410 -37.202 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -27.458 40.107 -35.788 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -24.221 47.556 -36.148 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -24.961 48.154 -36.045 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -23.507 48.110 -36.464 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -27.196 41.772 -38.483 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -26.583 42.405 -38.110 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -26.684 41.300 -39.140 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -25.813 49.520 -35.361 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -25.819 50.399 -35.739 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -26.667 49.437 -34.936 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -25.079 45.632 -38.015 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -24.514 45.753 -38.778 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -24.760 46.269 -37.376 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -24.199 50.031 -33.298 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -24.511 50.813 -32.842 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -24.849 49.878 -33.984 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -25.960 52.103 -32.534 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -25.952 51.967 -33.482 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -26.876 51.985 -32.282 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -30.612 51.076 -38.360 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -29.666 50.932 -38.379 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -30.725 51.860 -37.823 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -28.114 49.619 -34.201 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -27.897 49.258 -33.341 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -28.969 49.245 -34.411 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -25.495 38.089 -38.205 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -26.356 38.002 -38.613 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -25.517 38.945 -37.778 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -25.404 43.055 -37.110 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -26.046 43.014 -36.401 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -25.367 43.981 -37.348 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -25.407 43.276 -42.198 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -26.300 42.935 -42.257 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -24.956 42.899 -42.954 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -27.654 43.375 -35.243 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -27.692 43.775 -34.375 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -28.145 42.558 -35.153 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -27.997 42.332 -42.285 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -28.886 42.432 -42.625 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -27.701 41.490 -42.631 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -26.503 39.627 -42.807 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -26.820 38.725 -42.842 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -25.722 39.629 -43.359 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -27.210 47.387 -39.357 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -26.465 47.385 -39.958 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -27.132 46.563 -38.875 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -23.185 45.365 -31.829 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -23.481 45.199 -32.724 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -22.254 45.145 -31.839 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -28.917 52.406 -36.049 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -28.700 51.474 -36.080 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -28.670 52.680 -35.165 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -27.925 37.740 -39.187 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -28.154 37.799 -40.114 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -28.368 36.948 -38.880 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -29.706 54.293 -31.696 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -29.166 54.076 -30.937 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -30.187 53.487 -31.886 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -23.144 48.073 -31.309 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -23.472 48.344 -32.167 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.992 47.132 -31.397 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -25.020 44.312 -33.948 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -25.638 44.987 -33.667 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -24.676 44.633 -34.781 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -24.680 41.667 -32.865 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -24.530 40.938 -33.468 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -24.678 42.444 -33.424 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -26.202 42.865 -30.954 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -26.969 42.333 -31.164 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -25.523 42.555 -31.553 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -28.021 40.786 -31.249 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -27.810 40.079 -31.860 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -28.133 40.348 -30.405 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -30.737 39.378 -44.068 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -31.662 39.587 -44.198 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -30.283 39.862 -44.758 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -28.581 51.291 -31.580 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -29.402 51.466 -32.040 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -28.833 51.218 -30.659 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -28.297 37.623 -41.893 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -29.074 37.389 -42.401 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -27.766 36.826 -41.885 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -28.339 38.137 -32.376 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -28.705 37.372 -31.933 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -27.426 38.166 -32.089 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -26.366 37.488 -30.840 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -25.467 37.214 -31.025 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -26.752 36.745 -30.376 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -20.285 46.034 -19.660 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -20.323 45.388 -18.955 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.608 45.568 -20.431 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -21.896 48.467 -19.254 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -21.592 47.781 -19.848 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -21.174 48.585 -18.636 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -18.755 42.861 -18.926 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -18.612 41.914 -18.906 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -18.861 43.068 -19.855 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -25.600 40.962 -21.654 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -25.557 41.822 -22.072 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -26.058 40.410 -22.287 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -23.824 44.909 -21.676 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -23.208 44.383 -21.167 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -24.410 44.269 -22.080 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -15.767 39.099 -17.593 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -16.503 39.710 -17.631 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -15.083 39.514 -18.119 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -25.446 46.863 -22.792 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -25.776 46.493 -23.611 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -24.858 46.193 -22.446 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -18.770 51.135 -18.425 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -19.011 51.797 -17.777 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -18.968 50.301 -18.000 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -26.456 45.933 -25.203 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -26.748 46.701 -25.694 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -27.130 45.273 -25.366 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -27.368 53.877 -23.359 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -27.216 53.529 -22.480 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -28.219 53.521 -23.614 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -15.263 43.235 -13.342 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -15.670 43.716 -14.062 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -15.222 42.330 -13.649 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -20.832 37.811 -15.975 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -20.412 37.396 -15.222 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -21.765 37.633 -15.858 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -17.506 41.567 -15.121 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -18.020 41.441 -14.324 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -17.661 42.479 -15.366 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -25.407 43.276 -23.342 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -26.300 42.935 -23.401 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -24.956 42.899 -24.098 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.769 43.867 -13.037 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -21.332 43.163 -12.717 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -19.943 43.747 -12.570 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -29.771 41.237 -27.113 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -29.297 41.828 -27.698 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -30.489 41.768 -26.766 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -19.603 44.776 -17.040 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -19.279 44.145 -17.683 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -20.043 44.241 -16.379 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -22.825 40.703 -22.256 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -23.736 40.760 -21.967 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -22.320 40.643 -21.445 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -27.997 42.332 -23.429 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -28.886 42.432 -23.769 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -27.701 41.490 -23.775 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -25.670 43.527 -28.206 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -26.212 43.147 -28.897 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -24.836 43.721 -28.635 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -21.505 43.491 -20.369 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -20.941 42.944 -20.916 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -21.653 42.969 -19.580 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -26.503 39.627 -23.951 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -26.820 38.725 -23.986 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -25.722 39.629 -24.503 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -20.815 48.276 -15.033 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -21.161 47.895 -14.227 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -21.015 49.210 -14.962 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -23.185 45.365 -12.973 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -23.481 45.199 -13.868 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -22.254 45.145 -12.983 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -18.565 50.738 -15.083 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -19.466 50.921 -15.351 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -18.531 50.997 -14.162 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -24.835 50.905 -23.096 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -24.308 51.678 -23.297 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -25.715 51.130 -23.398 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -29.080 45.767 -28.509 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -28.464 46.394 -28.130 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -29.942 46.083 -28.238 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -23.408 48.568 -23.520 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -23.649 49.493 -23.478 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -24.148 48.109 -23.124 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -24.724 53.590 -23.975 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -25.674 53.695 -23.923 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -24.373 54.410 -23.630 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -19.349 48.816 -17.504 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -19.775 48.589 -16.678 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -18.768 48.078 -17.687 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -27.665 47.680 -27.017 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -28.351 48.032 -26.450 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -27.142 48.443 -27.263 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -19.833 40.342 -16.738 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -19.135 40.416 -16.088 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -20.214 39.478 -16.583 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -21.313 42.708 -15.621 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -21.194 43.282 -14.864 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -20.658 42.020 -15.506 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -20.965 38.803 -23.868 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -21.312 39.421 -23.223 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -20.307 39.304 -24.349 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -15.109 40.615 -14.786 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -16.025 40.878 -14.874 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -14.773 40.612 -15.683 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -27.049 50.294 -28.120 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -26.457 50.993 -27.844 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -26.590 49.861 -28.839 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -28.733 42.958 -29.004 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -28.778 43.897 -28.825 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -29.621 42.722 -29.274 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -29.706 54.293 -12.840 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -29.166 54.076 -12.081 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -30.187 53.487 -13.030 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -25.109 53.212 -11.220 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -24.341 52.753 -10.879 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -25.130 52.986 -12.150 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -18.532 51.592 -12.491 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -18.883 50.736 -12.248 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -17.806 51.735 -11.884 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -29.799 48.103 -11.886 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -29.655 47.201 -12.172 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -30.572 48.389 -12.374 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -25.458 48.447 -29.754 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -25.394 47.653 -29.223 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -24.805 48.328 -30.443 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -23.144 48.073 -12.453 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -23.472 48.344 -13.311 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -22.992 47.132 -12.541 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -20.000 46.783 -11.814 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -19.047 46.867 -11.842 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -20.160 46.072 -11.195 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -24.268 40.037 -16.517 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -23.732 40.488 -17.169 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -25.120 39.929 -16.939 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -18.270 43.291 -11.249 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.078 42.360 -11.360 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -17.413 43.716 -11.259 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -16.954 46.080 -13.171 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -17.235 46.789 -13.749 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -16.011 46.007 -13.322 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -22.198 41.815 -12.522 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -22.434 41.595 -11.620 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -22.981 41.608 -13.031 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -19.482 40.942 -13.446 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -20.430 40.974 -13.314 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -19.170 40.317 -12.792 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -29.772 49.989 -28.701 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -28.858 50.068 -28.428 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -29.765 49.302 -29.368 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -31.123 55.382 -23.624 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -31.770 54.920 -24.157 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -30.768 54.710 -23.041 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -30.253 53.463 -21.819 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -30.587 52.582 -21.647 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -30.031 53.808 -20.955 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -14.690 49.629 -11.279 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -15.556 49.524 -10.885 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -14.314 50.388 -10.832 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -12.855 44.333 -13.055 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -13.718 43.954 -13.220 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -12.251 43.594 -13.129 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -13.054 39.450 -13.001 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -13.971 39.721 -13.037 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -12.931 38.915 -13.785 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -21.316 53.665 -13.506 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -21.131 53.331 -12.628 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -20.469 53.974 -13.828 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -18.971 54.950 -14.262 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -18.294 54.318 -14.502 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -18.649 55.352 -13.454 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -14.053 37.540 -15.182 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -14.866 37.865 -15.570 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -13.820 36.780 -15.715 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -28.225 55.522 -16.418 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -28.945 55.962 -16.869 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -28.591 55.271 -15.569 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -25.758 55.122 -17.388 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -26.623 55.194 -16.984 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -25.813 55.669 -18.172 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -21.047 55.010 -18.212 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -21.504 55.539 -18.866 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -20.884 55.613 -17.487 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -18.720 53.888 -17.267 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -19.624 54.053 -17.533 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -18.291 54.741 -17.333 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -28.810 54.145 -19.507 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -28.829 53.720 -18.650 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -28.005 53.827 -19.916 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -26.669 52.855 -20.852 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -26.888 51.939 -20.683 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -25.845 52.995 -20.386 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -24.132 53.325 -20.004 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -23.919 52.437 -20.291 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -24.067 53.291 -19.049 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -20.623 38.989 -20.859 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -21.298 38.360 -20.604 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -20.059 38.505 -21.462 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -28.297 37.623 -23.037 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -29.074 37.389 -23.545 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -27.766 36.826 -23.029 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -29.460 37.421 -27.234 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -29.021 38.032 -27.825 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -30.094 37.959 -26.760 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -23.717 37.550 -23.224 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -22.843 37.938 -23.254 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -23.853 37.335 -22.301 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -18.160 37.580 -21.575 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -18.084 37.675 -22.524 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -18.436 36.672 -21.446 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -29.559 53.369 -26.336 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -30.244 53.331 -27.004 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -29.556 54.282 -26.048 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -27.599 39.337 -28.791 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -27.108 38.707 -29.319 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -26.976 39.633 -28.128 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -19.218 46.779 -4.223 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -19.129 47.723 -4.355 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -19.857 46.504 -4.881 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -16.579 48.973 -2.502 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -17.020 48.253 -2.052 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -16.592 49.694 -1.872 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -30.383 43.759 -5.283 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -30.831 44.605 -5.301 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -30.944 43.179 -5.798 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -29.673 45.921 -3.157 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -29.459 45.151 -2.630 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -28.935 46.010 -3.760 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -21.896 48.467 -0.398 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -21.592 47.781 -0.992 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -21.174 48.585 0.220 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -25.600 40.962 -2.798 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -25.557 41.822 -3.216 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -26.058 40.410 -3.431 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -28.980 43.359 -2.036 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -28.326 42.809 -1.604 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -28.956 43.085 -2.952 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -23.824 44.909 -2.820 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -23.208 44.383 -2.311 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -24.410 44.269 -3.224 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -26.790 39.880 1.276 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -27.009 40.410 0.510 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -27.458 40.107 1.924 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -19.421 49.380 -5.180 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -19.717 49.058 -6.031 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -19.745 50.280 -5.138 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -27.196 41.772 -0.771 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -26.583 42.405 -0.398 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -26.684 41.300 -1.428 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -16.067 50.813 -0.154 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -17.009 50.871 0.007 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -15.791 51.719 -0.291 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -17.815 52.594 -3.529 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -17.390 51.887 -4.014 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -17.498 53.395 -3.946 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -16.656 50.495 -5.020 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -16.913 49.805 -5.632 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -16.585 50.052 -4.175 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -14.970 49.061 3.457 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -14.830 48.470 2.718 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -14.802 49.934 3.101 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -20.497 46.023 -6.771 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -21.209 46.558 -7.122 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -19.806 46.079 -7.431 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -20.443 44.481 -9.732 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -19.742 44.503 -9.081 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -20.141 43.853 -10.388 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -25.079 45.632 -0.303 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -24.514 45.753 -1.066 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -24.760 46.269 0.336 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -18.770 51.135 0.431 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -19.011 51.797 1.079 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -18.968 50.301 0.856 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -18.220 45.395 -8.134 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -17.641 45.545 -7.387 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -17.806 45.866 -8.857 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -26.456 45.933 -6.347 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -26.748 46.701 -6.838 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -27.130 45.273 -6.510 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -13.332 51.511 -9.944 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -13.259 52.450 -9.774 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -12.427 51.206 -10.001 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -12.415 51.742 5.034 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -12.464 50.787 4.997 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -13.241 52.010 5.436 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -25.495 38.089 -0.493 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -26.356 38.002 -0.901 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -25.517 38.945 -0.066 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -16.743 46.428 -10.504 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -16.701 46.205 -11.434 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -15.894 46.826 -10.314 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -25.404 43.055 0.602 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -26.046 43.014 1.311 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -25.367 43.981 0.364 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -25.407 43.276 -4.486 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -26.300 42.935 -4.545 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -24.956 42.899 -5.242 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -19.871 43.692 -5.669 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -20.280 44.507 -5.961 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -19.151 43.552 -6.284 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -20.769 43.867 5.819 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -21.332 43.163 6.139 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -19.943 43.747 6.286 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -31.046 40.491 -3.681 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -30.415 40.462 -2.961 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -30.596 40.066 -4.411 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -22.825 40.703 -3.400 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -23.736 40.760 -3.111 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -22.320 40.643 -2.589 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -27.997 42.332 -4.573 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -28.886 42.432 -4.913 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -27.701 41.490 -4.919 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -24.344 42.332 -6.917 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -23.412 42.461 -6.739 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -24.559 43.002 -7.566 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -25.670 43.527 -9.350 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -26.212 43.147 -10.041 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -24.836 43.721 -9.779 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -21.505 43.491 -1.513 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -20.941 42.944 -2.060 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -21.653 42.969 -0.724 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -20.815 48.276 3.823 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -21.161 47.895 4.629 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -21.015 49.210 3.894 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -18.565 50.738 3.773 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -19.466 50.921 3.505 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -18.531 50.997 4.694 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -12.870 48.783 4.977 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -13.722 49.021 4.610 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -12.280 48.766 4.224 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -14.538 51.769 -7.395 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -14.911 50.943 -7.085 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -14.261 51.586 -8.292 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -29.080 45.767 -9.653 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -28.464 46.394 -9.274 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -29.942 46.083 -9.382 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -19.349 48.816 1.352 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -19.775 48.589 2.178 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -18.768 48.078 1.169 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -17.146 49.745 -9.574 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -16.793 49.365 -8.770 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -18.095 49.652 -9.488 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -28.568 40.601 3.228 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -29.461 40.940 3.161 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -28.667 39.746 3.646 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -16.280 48.418 -7.348 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -16.557 47.690 -6.792 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -15.353 48.537 -7.142 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -23.055 50.857 -11.127 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -22.816 50.109 -11.675 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -23.324 50.469 -10.295 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -24.118 50.427 -8.671 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -23.971 49.907 -7.881 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -24.121 51.334 -8.365 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -27.665 47.680 -8.161 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -28.351 48.032 -7.594 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -27.142 48.443 -8.407 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -21.849 41.722 -5.950 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -21.037 42.226 -5.904 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -22.094 41.577 -5.036 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -21.313 42.708 3.235 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -21.194 43.282 3.992 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -20.658 42.020 3.350 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -27.049 50.294 -9.264 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -26.457 50.993 -8.988 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -26.590 49.861 -9.983 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -15.420 53.622 -0.212 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -15.576 54.300 -0.869 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -14.488 53.694 -0.009 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -27.925 37.740 -1.475 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -28.154 37.799 -2.402 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -28.368 36.948 -1.168 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -21.017 52.720 -10.989 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -21.661 52.089 -10.667 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -20.255 52.189 -11.221 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -25.458 48.447 -10.898 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -25.394 47.653 -10.367 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -24.805 48.328 -11.587 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -20.106 49.494 -11.162 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -20.374 49.674 -10.261 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -20.312 48.568 -11.293 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -17.409 47.989 3.786 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -16.664 48.577 3.666 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -18.166 48.571 3.849 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -24.309 46.419 -8.592 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -24.768 45.935 -7.906 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -24.054 45.751 -9.228 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -25.020 44.312 3.764 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -25.638 44.987 4.045 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -24.676 44.633 2.931 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -23.238 44.662 -10.329 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -23.418 44.508 -11.257 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -22.287 44.770 -10.285 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -20.000 46.783 7.042 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -19.047 46.867 7.014 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -20.160 46.072 7.661 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -13.848 47.017 -10.884 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -14.121 46.592 -11.697 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -13.808 47.948 -11.101 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -24.680 41.667 4.847 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -24.530 40.938 4.244 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -24.678 42.444 4.288 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -24.268 40.037 2.339 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -23.732 40.488 1.687 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -25.120 39.929 1.917 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -22.686 45.476 2.579 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -21.935 45.320 2.006 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -23.025 46.328 2.303 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -18.270 43.291 7.607 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -18.078 42.360 7.496 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -17.413 43.716 7.597 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -22.198 41.815 6.334 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -22.434 41.595 7.236 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -22.981 41.608 5.825 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -28.021 40.786 6.463 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -27.810 40.079 5.852 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -28.133 40.348 7.307 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -22.887 38.470 7.496 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -23.018 37.994 6.675 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -23.486 39.214 7.440 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -29.772 49.989 -9.845 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -28.858 50.068 -9.572 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -29.765 49.302 -10.512 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -12.704 54.272 0.017 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -12.726 54.457 0.956 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -12.014 54.841 -0.324 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -14.690 49.629 7.577 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -15.556 49.524 7.971 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -14.314 50.388 8.024 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -14.749 51.602 2.170 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -15.397 51.927 2.795 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -15.267 51.162 1.495 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -29.354 40.121 -1.480 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -28.909 39.329 -1.178 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -28.888 40.837 -1.049 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -15.966 54.362 -4.411 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -15.313 54.015 -5.019 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -15.455 54.851 -3.765 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -13.986 54.142 -6.403 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -14.180 53.394 -6.968 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -14.025 54.900 -6.987 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -28.339 38.137 5.336 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -28.705 37.372 5.779 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -27.426 38.166 5.623 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -26.366 37.488 6.872 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -25.467 37.214 6.687 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -26.752 36.745 7.336 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -27.741 54.289 -10.455 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -28.009 54.576 -9.582 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -26.970 53.743 -10.303 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -17.878 41.093 14.459 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -17.232 40.764 15.084 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -17.368 41.611 13.836 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -20.443 44.481 9.124 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -19.742 44.503 9.775 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -20.141 43.853 8.468 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -16.743 46.428 8.352 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -16.701 46.205 7.422 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -15.894 46.826 8.542 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -21.170 40.304 9.022 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -21.424 40.323 9.945 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -21.427 39.432 8.721 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -24.288 40.749 8.123 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -24.719 40.304 8.853 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -25.006 41.121 7.611 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -18.437 40.906 9.641 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -19.375 41.018 9.490 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -18.140 41.763 9.947 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -17.719 42.773 11.302 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -16.827 42.636 11.621 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -17.662 43.564 10.765 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -12.834 42.983 10.996 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -13.388 42.587 10.324 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -12.733 43.893 10.719 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -19.049 39.994 12.071 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -18.829 40.466 11.268 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -18.491 40.389 12.742 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -20.965 38.803 13.844 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -21.312 39.421 14.489 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -20.307 39.304 13.363 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -13.848 47.017 7.972 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -14.121 46.592 7.159 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -13.808 47.948 7.755 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -12.727 45.840 10.162 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -13.248 46.197 9.443 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -12.760 46.515 10.840 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -14.378 43.080 8.713 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -14.281 43.747 8.033 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -14.518 42.264 8.231 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -15.498 42.043 12.796 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -15.218 41.136 12.921 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -14.739 42.477 12.407 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -14.884 39.306 12.845 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -14.702 38.857 13.670 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -15.484 38.721 12.381 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -13.754 38.235 15.299 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -13.142 37.721 14.772 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -13.371 39.113 15.322 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -22.573 39.630 11.378 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -22.395 38.984 12.061 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -22.627 40.464 11.845 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -22.764 56.042 -20.127 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -22.881 55.093 -20.181 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -23.619 56.374 -19.854 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -25.495 56.945 -19.349 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -26.356 56.858 -19.757 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -25.517 57.801 -18.922 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -20.832 56.667 -15.975 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -20.412 56.252 -15.222 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.765 56.489 -15.858 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -27.925 56.596 -20.331 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -28.154 56.655 -21.258 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -28.368 55.804 -20.024 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -23.462 56.349 -16.085 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -23.560 57.296 -16.191 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -24.205 55.977 -16.561 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -23.240 55.643 -13.414 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -22.528 55.003 -13.428 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -23.341 55.910 -14.328 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -30.773 56.972 -16.868 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -31.438 56.726 -16.225 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -31.216 57.594 -17.445 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -28.297 56.479 -23.037 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -29.074 56.245 -23.545 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -27.766 55.682 -23.029 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -29.460 56.277 -27.234 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -29.021 56.888 -27.825 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -30.094 56.815 -26.760 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -28.339 56.993 -13.520 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -28.705 56.228 -13.077 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -27.426 57.022 -13.233 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -26.366 56.344 -11.984 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -25.467 56.070 -12.169 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -26.752 55.601 -11.520 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -9.061 -29.775 19.645 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -9.019 -30.401 20.369 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -8.358 -29.152 19.827 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -8.137 -25.325 18.180 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -8.507 -26.127 17.811 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -7.196 -25.494 18.227 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -11.527 -31.665 13.573 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -11.975 -30.819 13.555 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -12.088 -32.245 13.058 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -10.817 -29.503 15.699 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -10.603 -30.273 16.226 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -10.079 -29.414 15.096 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -10.124 -32.065 16.820 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -9.470 -32.615 17.252 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -10.100 -32.339 15.904 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -6.957 -25.904 21.207 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -6.963 -25.025 20.829 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -7.811 -25.987 21.632 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -10.836 -26.233 11.989 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -11.108 -26.004 11.100 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -10.791 -25.395 12.449 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -8.423 -29.195 22.499 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -8.353 -28.544 23.197 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -9.314 -29.092 22.164 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -7.104 -23.321 24.034 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -7.096 -23.457 23.086 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -8.020 -23.439 24.286 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -9.258 -25.805 22.367 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -9.041 -26.166 23.227 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -10.113 -26.179 22.157 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -8.798 -32.049 21.325 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -8.836 -31.649 22.193 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -9.289 -32.866 21.415 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -8.679 -27.340 24.605 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -7.946 -27.086 25.166 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -9.459 -27.136 25.120 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -8.354 -28.037 17.211 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -7.609 -28.039 16.610 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -8.276 -28.861 17.693 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -11.346 -29.576 22.526 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -11.123 -29.994 23.358 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -11.948 -30.189 22.104 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -10.061 -23.018 20.519 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -9.844 -23.950 20.488 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -9.814 -22.744 21.403 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -10.139 -23.744 13.542 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -10.971 -23.271 13.569 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -9.593 -23.234 12.943 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -10.850 -21.131 24.872 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -10.310 -21.348 25.631 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -11.331 -21.937 24.682 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -6.253 -22.212 26.492 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -5.485 -22.671 26.833 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -6.274 -22.438 25.562 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -10.943 -27.321 25.826 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -10.799 -28.223 25.540 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -11.716 -27.035 25.338 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -12.267 -20.042 14.088 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -12.914 -20.504 13.555 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -11.912 -20.714 14.671 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -11.397 -21.961 15.893 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.731 -22.842 16.065 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -11.175 -21.616 16.757 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -12.194 -32.304 18.445 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -11.702 -32.525 17.655 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -11.832 -31.463 18.726 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -9.725 -24.133 24.988 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -10.546 -23.958 24.528 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -9.977 -24.206 25.909 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -6.771 -23.158 21.247 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -7.196 -22.349 20.964 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -5.866 -23.073 20.945 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -6.902 -20.302 20.324 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -7.767 -20.230 20.728 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -6.957 -19.755 19.540 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -9.954 -21.279 18.205 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -9.973 -21.704 19.062 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -9.149 -21.597 17.796 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -7.813 -22.569 16.860 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -8.032 -23.485 17.029 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -6.989 -22.429 17.326 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -8.885 -21.135 27.257 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -9.153 -20.848 28.130 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -8.114 -21.681 27.409 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -1.429 -10.534 18.052 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -1.467 -11.180 18.757 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -1.752 -11.000 17.281 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -11.527 -12.809 13.573 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -11.975 -11.963 13.555 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -12.088 -13.389 13.058 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -0.612 -2.490 16.566 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 0.008 -3.167 16.293 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -0.820 -2.708 17.474 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -6.744 -15.606 16.058 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -6.701 -14.746 15.640 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -7.202 -16.158 15.425 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -4.968 -11.659 16.036 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -4.352 -12.185 16.545 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -5.554 -12.299 15.632 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -10.836 -7.377 11.989 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -11.108 -7.148 11.100 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -10.791 -6.539 12.449 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -3.908 -19.382 17.585 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -4.025 -20.331 17.531 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -4.763 -19.050 17.858 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -6.590 -9.705 14.920 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -6.920 -10.075 14.101 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -6.002 -10.375 15.266 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -6.223 -10.936 18.553 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -5.658 -10.815 17.790 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -5.904 -10.299 19.192 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 0.086 -5.433 19.287 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -0.155 -4.771 19.935 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -0.112 -6.267 19.712 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -1.638 -4.436 14.157 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -1.164 -4.141 14.935 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -2.201 -3.698 13.924 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -7.600 -10.635 12.509 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -7.892 -9.867 12.018 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -8.274 -11.295 12.346 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -2.580 -5.252 22.766 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -2.493 -4.426 23.241 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -3.444 -5.582 23.015 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -8.512 -2.691 14.353 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -8.360 -3.039 15.232 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -9.363 -3.047 14.098 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -6.639 -18.479 18.363 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -7.500 -18.566 17.955 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -6.661 -17.623 18.790 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -1.976 -18.757 21.737 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -1.556 -19.172 22.490 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -2.909 -18.935 21.854 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -6.548 -13.513 19.458 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -7.190 -13.554 20.167 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -6.511 -12.587 19.220 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -6.551 -13.292 14.370 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -7.444 -13.633 14.311 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -6.100 -13.669 13.614 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -12.190 -16.077 15.175 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -11.559 -16.106 15.895 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -11.740 -16.502 14.445 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -0.747 -11.792 20.672 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -0.423 -12.423 20.029 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -1.187 -12.327 21.333 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -3.969 -15.865 15.456 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -4.880 -15.808 15.745 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -3.464 -15.925 16.267 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -9.141 -14.236 14.283 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -10.030 -14.136 13.943 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -8.845 -15.078 13.937 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -2.649 -13.077 17.343 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -2.085 -13.624 16.796 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -2.797 -13.599 18.132 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -7.647 -16.941 13.761 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -7.964 -17.843 13.726 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -6.866 -16.939 13.209 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -4.023 -14.689 19.757 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -4.858 -14.235 19.867 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -3.499 -14.413 20.509 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -1.959 -8.292 22.679 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -2.305 -8.673 23.485 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -2.159 -7.358 22.750 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -4.329 -11.203 24.739 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -4.625 -11.369 23.844 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -3.398 -11.423 24.729 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 0.291 -5.830 22.629 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -0.610 -5.647 22.361 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 0.325 -5.571 23.550 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -5.979 -5.663 14.616 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -5.452 -4.890 14.415 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -6.859 -5.438 14.314 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -4.552 -8.000 14.192 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -4.793 -7.075 14.234 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -5.292 -8.459 14.588 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -5.868 -2.978 13.737 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -6.818 -2.873 13.789 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -5.517 -2.158 14.082 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -0.493 -7.752 20.208 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -0.919 -7.979 21.034 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 0.088 -8.490 20.025 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -2.457 -13.860 22.091 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -2.338 -13.286 22.848 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -1.802 -14.548 22.206 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -9.069 -18.828 17.381 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -9.298 -18.769 16.454 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -9.512 -19.620 17.688 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -10.139 -4.888 13.542 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -10.971 -4.415 13.569 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -9.593 -4.378 12.943 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 0.324 -4.976 25.221 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -0.027 -5.832 25.464 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 1.050 -4.833 25.828 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -4.288 -8.495 25.259 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -4.616 -8.224 24.401 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -4.136 -9.436 25.171 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.164 -12.256 22.620 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -6.782 -11.581 22.901 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -5.820 -11.935 21.787 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -1.144 -9.785 25.898 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -0.191 -9.701 25.870 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -1.304 -10.496 26.517 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -5.824 -14.901 23.703 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -5.674 -15.630 23.100 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -5.822 -14.124 23.144 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -3.830 -11.092 21.435 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -3.079 -11.248 20.862 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -4.169 -10.240 21.159 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -7.346 -13.703 25.614 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -8.113 -14.235 25.404 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -6.667 -14.013 25.015 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -4.606 -19.075 21.627 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -4.704 -18.128 21.521 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -5.349 -19.447 21.151 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -3.342 -14.753 25.190 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -3.578 -14.973 26.092 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -4.125 -14.960 24.681 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -4.384 -19.781 24.298 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -3.672 -20.421 24.284 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -4.485 -19.514 23.384 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -4.031 -18.098 26.352 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -4.162 -18.574 25.531 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -4.630 -17.354 26.296 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -12.267 -1.186 14.088 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -12.914 -1.648 13.555 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -11.912 -1.858 14.671 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -11.397 -3.105 15.893 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -11.731 -3.986 16.065 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -11.175 -2.760 16.757 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -11.881 -17.190 12.500 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -12.806 -16.981 12.370 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -11.427 -16.706 11.810 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -2.460 -2.903 24.206 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -2.275 -3.237 25.084 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -1.613 -2.594 23.884 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -2.191 -1.558 19.500 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.648 -1.029 18.846 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -2.028 -0.955 20.225 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 0.136 -2.680 20.445 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -0.768 -2.515 20.179 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 0.565 -1.827 20.379 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -9.441 -18.945 14.675 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -10.218 -19.179 14.167 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -8.910 -19.742 14.683 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -7.510 -19.080 25.728 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -6.611 -19.354 25.543 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -7.896 -19.823 26.192 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -11.527 -12.809 32.429 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -11.975 -11.963 32.411 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -12.088 -13.389 31.914 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -10.817 -10.647 34.555 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -10.603 -11.417 35.082 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -10.079 -10.558 33.952 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -10.836 -7.377 30.845 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -11.108 -7.148 29.956 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -10.791 -6.539 31.305 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -7.600 -10.635 31.365 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -7.892 -9.867 30.874 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -8.274 -11.295 31.202 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -8.512 -2.691 33.209 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -8.360 -3.039 34.088 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -9.363 -3.047 32.954 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -5.432 -15.819 26.979 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -5.863 -16.264 27.709 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -6.150 -15.447 26.467 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -12.190 -16.077 34.031 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -11.559 -16.106 34.751 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -11.740 -16.502 33.301 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -9.141 -14.236 33.139 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -10.030 -14.136 32.799 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -8.845 -15.078 32.793 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -6.814 -13.041 28.362 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -7.356 -13.421 27.671 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -5.980 -12.847 27.933 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -5.868 -2.978 32.593 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -6.818 -2.873 32.645 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -5.517 -2.158 32.938 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.199 -5.711 26.585 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.960 -6.459 26.037 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -4.468 -6.099 27.417 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -5.262 -6.141 29.041 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -5.115 -6.661 29.831 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -5.265 -5.234 29.347 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -8.809 -8.888 29.551 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -9.495 -8.536 30.118 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -8.286 -8.125 29.305 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -2.524 -4.443 29.790 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -3.341 -3.946 29.843 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -1.995 -3.968 29.150 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.186 -3.400 29.772 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.025 -2.600 29.271 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -5.383 -3.093 30.657 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -6.452 -16.702 29.388 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -6.535 -15.813 29.734 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -5.562 -16.967 29.619 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -8.193 -6.274 28.448 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -7.601 -5.575 28.724 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -7.734 -6.707 27.729 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -10.139 -4.888 32.398 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -10.971 -4.415 32.425 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -9.593 -4.378 31.799 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -2.161 -3.848 26.723 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.805 -4.479 27.045 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -1.399 -4.379 26.491 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -6.602 -8.121 26.814 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -6.538 -8.915 27.345 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.949 -8.240 26.125 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -1.250 -7.074 26.550 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -1.518 -6.894 27.451 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -1.456 -8.000 26.419 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -5.453 -10.149 29.120 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -5.912 -10.633 29.806 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -5.198 -10.817 28.484 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -4.382 -11.906 27.383 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -4.562 -12.060 26.455 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -3.431 -11.798 27.427 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -4.484 -1.215 28.384 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -3.551 -1.057 28.528 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -4.748 -0.540 27.759 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -10.916 -6.579 27.867 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -10.002 -6.500 28.140 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -10.909 -7.266 27.200 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -12.267 -1.186 32.944 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -12.914 -1.648 32.411 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -11.912 -1.858 33.527 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -11.881 -17.190 31.356 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -12.806 -16.981 31.226 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -11.427 -16.706 30.666 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -10.604 -19.147 29.334 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -10.165 -18.536 28.743 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -11.238 -18.609 29.808 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -10.703 -3.199 30.232 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -11.388 -3.237 29.564 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -10.700 -2.286 30.520 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -8.743 -17.231 27.777 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -8.252 -17.861 27.249 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -8.120 -16.935 28.440 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -1.839 -1.989 28.629 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -0.973 -1.623 28.451 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -2.086 -2.429 27.816 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -10.850 16.581 -12.840 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -10.310 16.364 -12.081 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -11.331 15.775 -13.030 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -8.137 12.387 -0.676 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -8.507 11.585 -1.045 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -7.196 12.218 -0.629 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -6.957 11.808 2.351 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -6.963 12.687 1.973 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -7.811 11.725 2.776 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -10.836 11.479 -6.867 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -11.108 11.708 -7.756 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -10.791 12.317 -6.407 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -7.104 14.391 5.178 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -7.096 14.255 4.230 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -8.020 14.273 5.430 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -11.507 10.584 2.468 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -12.008 10.556 1.653 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -11.501 9.678 2.778 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -2.580 13.604 3.910 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -2.493 14.430 4.385 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -3.444 13.274 4.159 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -8.512 16.165 -4.503 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -8.360 15.817 -3.624 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -9.363 15.809 -4.758 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -9.258 11.907 3.511 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -9.041 11.546 4.371 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -10.113 11.533 3.301 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 3.723 17.898 6.141 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 3.923 18.322 5.306 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 4.379 18.241 6.748 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -8.354 9.675 -1.645 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -7.609 9.673 -2.246 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -8.276 8.851 -1.163 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -11.346 8.136 3.670 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -11.123 7.718 4.502 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -11.948 7.523 3.248 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -4.037 15.005 1.651 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -3.674 15.860 1.418 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -3.505 14.713 2.392 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -5.868 15.878 -5.119 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -6.818 15.983 -5.067 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -5.517 16.698 -4.774 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 2.166 15.656 3.821 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 1.564 15.101 3.326 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 2.447 16.323 3.195 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -10.061 14.694 1.663 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -9.844 13.762 1.632 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -9.814 14.968 2.547 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -10.139 13.968 -5.314 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -10.971 14.441 -5.287 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -9.593 14.478 -5.913 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -6.253 15.500 7.636 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -5.485 15.041 7.977 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -6.274 15.274 6.706 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 0.324 13.880 6.365 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -0.027 13.024 6.608 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 1.050 14.023 6.972 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -10.943 10.391 6.970 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -10.799 9.489 6.684 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -11.716 10.677 6.482 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -10.916 12.277 -9.845 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -10.002 12.356 -9.572 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -10.909 11.590 -10.512 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -11.397 15.751 -2.963 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -11.731 14.870 -2.791 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -11.175 16.096 -2.099 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -11.317 8.826 -0.512 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -11.133 8.744 -1.447 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -10.468 8.702 -0.088 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -9.725 13.579 6.132 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -10.546 13.754 5.672 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -9.977 13.506 7.053 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -6.771 14.554 2.391 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -7.196 15.363 2.108 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -5.866 14.639 2.089 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -2.460 15.953 5.350 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -2.275 15.619 6.228 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -1.613 16.262 5.028 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -0.115 17.238 4.594 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 0.562 16.606 4.354 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 0.207 17.640 5.402 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -2.191 17.298 0.644 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -2.648 17.827 -0.010 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -2.028 17.901 1.369 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 0.136 16.176 1.589 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -0.768 16.341 1.323 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 0.565 17.029 1.523 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -7.813 15.143 -1.996 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -8.032 14.227 -1.827 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -6.989 15.283 -1.530 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -5.276 15.613 -1.148 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -5.063 14.725 -1.435 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -5.211 15.579 -0.193 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -10.703 15.657 -7.480 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -11.388 15.619 -8.148 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -10.700 16.570 -7.192 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -8.885 16.577 -10.455 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -9.153 16.864 -9.582 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -8.114 16.031 -10.303 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -6.744 3.250 16.058 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -6.701 4.110 15.640 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -7.202 2.698 15.425 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -4.968 7.197 16.036 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -4.352 6.671 16.545 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -5.554 6.557 15.632 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -5.365 9.844 20.420 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -6.105 10.442 20.523 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -4.651 10.398 20.104 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -6.957 11.808 21.207 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -6.963 12.687 20.829 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -7.811 11.725 21.632 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -3.908 -0.526 17.585 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -4.025 -1.475 17.531 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -4.763 -0.194 17.858 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.590 9.151 14.920 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -6.920 8.781 14.101 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -6.002 8.481 15.266 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -5.223 12.579 17.601 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -5.318 12.001 16.844 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -4.494 12.208 18.097 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -6.223 7.920 18.553 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -5.658 8.041 17.790 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -5.904 8.557 19.192 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -5.343 12.319 23.270 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -5.655 13.101 23.726 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -5.993 12.166 22.584 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -7.104 14.391 24.034 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -7.096 14.255 23.086 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -8.020 14.273 24.286 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -7.600 8.221 12.509 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -7.892 8.989 12.018 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -8.274 7.561 12.346 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -2.166 17.376 12.572 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -2.241 17.255 11.626 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -2.133 18.326 12.691 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -8.512 16.165 14.353 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -8.360 15.817 15.232 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -9.363 15.809 14.098 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 0.936 16.530 9.575 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 1.311 15.786 9.104 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 0.940 16.260 10.493 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 0.605 16.456 12.324 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -0.330 16.556 12.503 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 0.885 15.747 12.902 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -9.258 11.907 22.367 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -9.041 11.546 23.227 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -10.113 11.533 22.157 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -6.639 0.377 18.363 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -7.500 0.290 17.955 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -6.661 1.233 18.790 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -1.976 0.099 21.737 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -1.556 -0.316 22.490 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -2.909 -0.079 21.854 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -6.548 5.343 19.458 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -7.190 5.302 20.167 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -6.511 6.269 19.220 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -6.551 5.564 14.370 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -7.444 5.223 14.311 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -6.100 5.187 13.614 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -1.913 6.155 24.675 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -2.476 5.451 24.995 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -1.087 6.035 25.142 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -10.915 3.525 10.599 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -10.441 4.116 10.014 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -11.633 4.056 10.946 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -3.969 2.991 15.456 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -4.880 3.048 15.745 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -3.464 2.931 16.267 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -5.488 4.620 11.939 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -4.556 4.749 12.117 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -5.703 5.290 11.290 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -7.647 1.915 13.761 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -7.964 1.013 13.726 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -6.866 1.917 13.209 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -4.023 4.167 19.757 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -4.858 4.621 19.867 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -3.499 4.443 20.509 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -4.329 7.653 24.739 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -4.625 7.487 23.844 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -3.398 7.433 24.729 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -5.979 13.193 14.616 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -5.452 13.966 14.415 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -6.859 13.418 14.314 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -10.224 8.055 9.203 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -9.608 8.682 9.582 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -11.086 8.371 9.474 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -4.552 10.856 14.192 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -4.793 11.781 14.234 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -5.292 10.397 14.588 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -5.868 15.878 13.737 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -6.818 15.983 13.789 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -5.517 16.698 14.082 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -4.199 13.145 7.729 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -3.960 12.397 7.181 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -4.468 12.757 8.561 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -5.262 12.715 10.185 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -5.115 12.195 10.975 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -5.265 13.622 10.491 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -8.809 9.968 10.695 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -9.495 10.320 11.262 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -8.286 10.731 10.449 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -2.524 14.413 10.934 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -3.341 14.910 10.987 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -1.995 14.888 10.294 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -2.457 4.996 22.091 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -2.338 5.570 22.848 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -1.802 4.308 22.206 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -5.186 15.456 10.916 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -5.025 16.256 10.415 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -5.383 15.763 11.801 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -8.193 12.582 9.592 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -7.601 13.281 9.868 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -7.734 12.149 8.873 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -10.850 16.581 24.872 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -10.310 16.364 25.631 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -11.331 15.775 24.682 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -2.161 15.008 7.867 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -2.805 14.377 8.189 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -1.399 14.477 7.635 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -4.288 10.361 25.259 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -4.616 10.632 24.401 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -4.136 9.420 25.171 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -6.164 6.600 22.620 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -6.782 7.275 22.901 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -5.820 6.921 21.787 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -5.824 3.955 23.703 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -5.674 3.226 23.100 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -5.822 4.732 23.144 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -5.412 2.325 21.195 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -4.876 2.776 20.543 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -6.264 2.217 20.773 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -3.830 7.764 21.435 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -3.079 7.608 20.862 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -4.169 8.616 21.159 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -4.606 -0.219 21.627 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -4.704 0.728 21.521 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -5.349 -0.591 21.151 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -3.342 4.103 25.190 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -3.578 3.883 26.092 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -4.125 3.896 24.681 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -4.384 -0.925 24.298 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -3.672 -1.565 24.284 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -4.485 -0.658 23.384 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -4.031 0.758 26.352 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -4.162 0.282 25.531 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -4.630 1.502 26.296 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -4.484 17.641 9.528 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -3.551 17.799 9.672 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -4.748 18.316 8.903 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -10.916 12.277 9.011 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -10.002 12.356 9.284 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -10.909 11.590 8.344 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -11.881 1.666 12.500 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -12.806 1.875 12.370 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -11.427 2.150 11.810 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -9.725 13.579 24.988 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -10.546 13.754 24.528 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -9.977 13.506 25.909 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -6.771 14.554 21.247 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.196 15.363 20.964 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -5.866 14.639 20.945 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -9.369 17.810 21.294 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -10.089 18.250 20.843 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -9.735 17.559 22.143 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -6.902 17.410 20.324 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -7.767 17.482 20.728 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -6.957 17.957 19.540 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -9.954 16.433 18.205 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -9.973 16.008 19.062 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -9.149 16.115 17.796 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -7.813 15.143 16.860 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -8.032 14.227 17.029 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -6.989 15.283 17.326 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -5.276 15.613 17.708 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -5.063 14.725 17.421 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -5.211 15.579 18.663 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -9.441 -0.089 14.675 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -10.218 -0.323 14.167 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -8.910 -0.886 14.683 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -4.861 -0.162 14.488 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -3.987 0.226 14.458 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -4.997 -0.377 15.411 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -1.839 16.867 9.773 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -0.973 17.233 9.595 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -2.086 16.427 8.960 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -8.885 16.577 8.401 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -9.153 16.864 9.274 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -8.114 16.031 8.553 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -11.527 6.047 32.429 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -11.975 6.893 32.411 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -12.088 5.467 31.914 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -10.836 11.479 30.845 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -11.108 11.708 29.956 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -10.791 12.317 31.305 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.600 8.221 31.365 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -7.892 8.989 30.874 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.274 7.561 31.202 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -2.314 2.592 27.878 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -2.568 2.611 28.801 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -2.571 1.720 27.577 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -5.432 3.037 26.979 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -5.863 2.592 27.709 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -6.150 3.409 26.467 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -10.915 3.525 29.455 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -10.441 4.116 28.870 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -11.633 4.056 29.802 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -9.141 4.620 33.139 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -10.030 4.720 32.799 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -8.845 3.778 32.793 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -5.488 4.620 30.795 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -4.556 4.749 30.973 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -5.703 5.290 30.146 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -6.814 5.815 28.362 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -7.356 5.435 27.671 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.980 6.009 27.933 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -7.647 1.915 32.617 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -7.964 1.013 32.582 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -6.866 1.917 32.065 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -4.199 13.145 26.585 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -3.960 12.397 26.037 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -4.468 12.757 27.417 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -5.262 12.715 29.041 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -5.115 12.195 29.831 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -5.265 13.622 29.347 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -8.809 9.968 29.551 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -9.495 10.320 30.118 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -8.286 10.731 29.305 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -6.452 2.154 29.388 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -6.535 3.043 29.734 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -5.562 1.889 29.619 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -8.193 12.582 28.448 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -7.601 13.281 28.724 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -7.734 12.149 27.729 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -6.602 10.735 26.814 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -6.538 9.941 27.345 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -5.949 10.616 26.125 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -5.453 8.707 29.120 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -5.912 8.223 29.806 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -5.198 8.039 28.484 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -4.382 6.950 27.383 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -4.562 6.796 26.455 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -3.431 7.058 27.427 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -10.916 12.277 27.867 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -10.002 12.356 28.140 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -10.909 11.590 27.200 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -11.881 1.666 31.356 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -12.806 1.875 31.226 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -11.427 2.150 30.666 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -9.441 -0.089 33.531 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -10.218 -0.323 33.023 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -8.910 -0.886 33.539 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -4.861 -0.162 33.344 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -3.987 0.226 33.314 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -4.997 -0.377 34.267 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -3.717 1.918 30.234 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -3.539 1.272 30.917 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -3.771 2.752 30.701 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -5.343 31.175 -14.442 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -5.655 31.957 -13.986 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -5.993 31.022 -15.128 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -8.423 27.373 -15.213 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -8.353 28.024 -14.515 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -9.314 27.476 -15.548 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -7.104 33.247 -13.678 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -7.096 33.111 -14.626 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -8.020 33.129 -13.426 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -11.507 29.440 -16.388 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -12.008 29.412 -17.203 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -11.501 28.534 -16.078 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -11.756 32.220 -19.504 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -10.810 32.076 -19.523 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -11.869 33.004 -18.967 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -2.580 32.460 -14.946 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -2.493 33.286 -14.471 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -3.444 32.130 -14.697 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -9.258 30.763 -15.345 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -9.041 30.402 -14.485 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -10.113 30.389 -15.555 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -1.913 25.011 -13.037 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -2.476 24.307 -12.717 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -1.087 24.891 -12.570 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -8.798 24.519 -16.387 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -8.836 24.919 -15.519 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -9.289 23.702 -16.297 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 3.723 36.754 -12.715 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 3.923 37.178 -13.550 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 4.379 37.097 -12.108 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -8.679 29.228 -13.107 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -7.946 29.482 -12.546 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -9.459 29.432 -12.592 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -11.346 26.992 -15.186 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -11.123 26.574 -14.354 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -11.948 26.379 -15.608 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -4.329 26.509 -12.973 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -4.625 26.343 -13.868 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -3.398 26.289 -12.983 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -4.037 33.861 -17.205 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -3.674 34.716 -17.438 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -3.505 33.569 -16.464 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -9.712 21.745 -15.628 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -10.605 22.084 -15.695 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -9.811 20.890 -15.210 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -10.061 33.550 -17.193 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -9.844 32.618 -17.224 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -9.814 33.824 -16.309 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 0.324 32.736 -12.491 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -0.027 31.880 -12.248 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 1.050 32.879 -11.884 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -4.288 29.217 -12.453 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -4.616 29.488 -13.311 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -4.136 28.276 -12.541 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -1.144 27.927 -11.814 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -0.191 28.011 -11.842 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -1.304 27.216 -11.195 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 0.586 24.435 -11.249 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 0.778 23.504 -11.360 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 1.443 24.860 -11.259 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -7.346 24.009 -12.098 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -8.113 23.477 -12.308 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -6.667 23.699 -12.697 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -9.165 21.930 -12.393 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -8.954 21.223 -13.004 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -9.277 21.492 -11.549 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 4.166 30.773 -11.279 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 3.300 30.668 -10.885 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 4.542 31.532 -10.832 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -11.719 22.953 -13.227 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -10.800 22.831 -12.991 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -12.169 22.203 -12.838 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -9.725 32.435 -12.724 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -10.546 32.610 -13.184 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -9.977 32.362 -11.803 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -6.771 33.410 -16.465 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -7.196 34.219 -16.748 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -5.866 33.495 -16.767 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -2.460 34.809 -13.506 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -2.275 34.475 -12.628 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -1.613 35.118 -13.828 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -0.115 36.094 -14.262 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 0.562 35.462 -14.502 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 0.207 36.496 -13.454 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -9.369 36.666 -16.418 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -10.089 37.106 -16.869 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -9.735 36.415 -15.569 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -6.902 36.266 -17.388 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -7.767 36.338 -16.984 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -6.957 36.813 -18.172 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 4.088 34.037 -13.109 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 3.306 33.851 -13.629 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 4.016 34.966 -12.892 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 5.623 21.212 0.463 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 5.672 21.822 1.199 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 6.049 21.673 -0.260 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 6.015 22.690 2.699 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 5.326 23.348 2.604 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 6.030 22.493 3.636 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 2.742 21.528 -2.416 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 2.527 20.762 -1.884 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 3.398 22.000 -1.903 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 3.089 20.243 1.263 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 2.353 20.854 1.225 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 3.773 20.658 0.737 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -3.908 18.330 -1.271 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -4.025 17.381 -1.325 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -4.763 18.662 -0.998 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -1.587 25.625 -9.732 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -0.886 25.647 -9.081 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -1.285 24.997 -10.388 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 5.728 26.545 1.523 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 5.076 27.240 1.612 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 6.193 26.755 0.713 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 0.636 26.539 -8.134 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 1.215 26.689 -7.387 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 1.050 27.010 -8.857 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 5.524 32.655 -9.944 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 5.597 33.594 -9.774 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 6.429 32.350 -10.001 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 6.441 32.886 5.034 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 6.392 31.931 4.997 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 5.615 33.154 5.436 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -2.166 36.232 -6.284 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -2.241 36.111 -7.230 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -2.133 37.182 -6.165 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 0.936 35.386 -9.281 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 1.311 34.642 -9.752 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 0.940 35.116 -8.363 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 3.593 24.379 5.514 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 3.186 24.860 4.794 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 3.634 23.474 5.207 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -1.976 18.955 2.881 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -1.556 18.540 3.634 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -2.909 18.777 2.998 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 1.350 22.711 3.735 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 0.836 22.585 4.532 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 1.195 23.623 3.490 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 2.113 27.572 -10.504 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 2.155 27.349 -11.434 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 2.962 27.970 -10.314 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -2.314 21.448 -9.834 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -2.568 21.467 -8.911 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -2.571 20.576 -10.135 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -5.432 21.893 -10.733 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -5.863 21.448 -10.003 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -6.150 22.265 -11.245 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -5.488 23.476 -6.917 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -4.556 23.605 -6.739 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -5.703 24.146 -7.566 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 0.436 21.082 -0.136 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -0.241 21.213 0.528 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -0.050 20.927 -0.946 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -6.814 24.671 -9.350 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -7.356 24.291 -10.041 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -5.980 24.865 -9.779 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 3.723 36.754 6.141 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 3.923 37.178 5.306 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 4.379 37.097 6.748 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -7.647 20.771 -5.095 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -7.964 19.869 -5.130 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -6.866 20.773 -5.647 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 0.419 22.050 -9.215 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -0.519 22.162 -9.366 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 0.716 22.907 -8.909 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 1.137 23.917 -7.554 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 2.029 23.780 -7.235 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 1.194 24.708 -8.091 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 6.022 24.127 -7.860 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 5.468 23.731 -8.532 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 6.123 25.037 -8.137 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 5.986 29.927 4.977 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 5.134 30.165 4.610 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 6.576 29.910 4.224 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 2.166 34.512 3.821 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 1.564 33.957 3.326 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 2.447 35.179 3.195 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 6.214 35.369 -9.373 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 6.957 35.955 -9.513 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 5.519 35.937 -9.040 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -4.199 32.001 -11.127 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -3.960 31.253 -11.675 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -4.468 31.613 -10.295 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -0.977 21.486 2.118 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -0.279 21.560 2.768 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -1.358 20.622 2.273 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -0.193 21.138 -6.785 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 0.027 21.610 -7.588 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 0.365 21.533 -6.114 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -2.524 33.269 -7.922 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -3.341 33.766 -7.869 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -1.995 33.744 -8.562 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -2.993 22.866 -5.950 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -2.181 23.370 -5.904 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -3.238 22.721 -5.036 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -2.109 19.947 -5.012 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -2.456 20.565 -4.367 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -1.451 20.448 -5.493 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -6.452 21.010 -8.324 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -6.535 21.899 -7.978 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -5.562 20.745 -8.093 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 3.747 21.759 4.070 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 2.831 22.022 3.982 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 4.083 21.756 3.173 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 3.436 34.766 -0.212 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 3.280 35.444 -0.869 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 4.368 34.838 -0.009 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -2.161 33.864 -10.989 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -2.805 33.233 -10.667 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -1.399 33.333 -11.221 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 2.443 33.681 -10.755 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 2.726 32.887 -10.302 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 3.183 33.914 -11.316 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -6.602 29.591 -10.898 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -6.538 28.797 -10.367 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -5.949 29.472 -11.587 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -1.250 30.638 -11.162 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -1.518 30.818 -10.261 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -1.456 29.712 -11.293 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -4.382 25.806 -10.329 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -4.562 25.652 -11.257 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -3.431 25.914 -10.285 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 5.008 28.161 -10.884 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 4.735 27.736 -11.697 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 5.048 29.092 -11.101 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 0.586 24.435 7.607 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 0.778 23.504 7.496 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 1.443 24.860 7.597 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 1.902 27.224 5.685 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 1.621 27.933 5.107 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 2.845 27.151 5.534 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 6.152 35.416 0.017 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 6.130 35.601 0.956 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 6.842 35.985 -0.324 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 5.715 34.983 2.939 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 5.228 34.248 2.568 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 6.264 34.590 3.617 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 4.166 30.773 7.577 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 3.300 30.668 7.971 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 4.542 31.532 8.024 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 5.467 29.030 -6.909 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 6.317 29.451 -6.781 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 5.472 28.290 -6.301 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 5.861 27.083 -5.085 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 5.135 26.604 -4.687 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 6.442 27.289 -4.353 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 5.620 29.868 -0.137 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 6.454 29.490 -0.418 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 5.732 30.811 -0.256 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 4.107 32.746 2.170 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 3.459 33.071 2.795 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 3.589 32.306 1.495 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 6.129 26.984 -8.694 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 5.608 27.341 -9.413 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 6.096 27.659 -8.016 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 4.478 24.224 -10.143 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 4.575 24.891 -10.823 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 4.338 23.408 -10.625 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 4.504 27.574 5.117 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 5.087 26.840 5.308 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 5.068 28.346 5.163 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 6.001 25.477 5.801 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 5.138 25.098 5.636 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 6.605 24.738 5.727 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 3.358 23.187 -6.060 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 3.638 22.280 -5.935 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 4.117 23.621 -6.449 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 3.970 23.768 -0.624 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 4.903 23.980 -0.658 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 3.735 23.870 0.299 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 3.999 24.505 2.152 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 3.156 24.773 2.518 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 4.442 25.327 1.941 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 3.972 20.450 -6.011 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 4.154 20.001 -5.186 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 3.372 19.865 -6.475 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 2.741 36.602 1.884 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 2.559 37.518 1.673 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 2.917 36.192 1.037 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -1.767 20.133 -2.003 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -2.442 19.504 -1.748 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -1.203 19.649 -2.606 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 3.375 18.240 -1.891 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 3.979 18.788 -2.392 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 2.506 18.560 -2.131 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 5.102 19.379 -3.557 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 5.714 18.865 -4.084 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 5.485 20.257 -3.534 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -9.441 18.767 -4.181 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -10.218 18.533 -4.689 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -8.910 17.970 -4.173 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -4.861 18.694 -4.368 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -3.987 19.082 -4.398 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -4.997 18.479 -3.445 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 0.696 18.724 -2.719 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 0.772 18.819 -3.668 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 0.420 17.816 -2.590 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 2.049 18.750 -7.026 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 1.346 19.364 -7.236 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 1.604 17.912 -6.895 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -8.743 20.481 -9.935 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -8.252 19.851 -10.463 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -8.120 20.777 -9.272 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -3.717 20.774 -7.478 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -3.539 20.128 -6.795 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -3.771 21.608 -7.011 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -1.839 35.723 -9.083 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -0.973 36.089 -9.261 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -2.086 35.283 -9.896 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 0.912 17.964 7.054 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 0.988 17.538 7.908 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 1.805 17.978 6.712 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 4.088 34.037 5.747 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 3.306 33.851 5.227 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 4.016 34.966 5.964 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -11.527 24.903 13.573 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -11.975 25.749 13.555 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -12.088 24.323 13.058 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -10.817 27.065 15.699 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -10.603 26.295 16.226 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -10.079 27.154 15.096 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -6.744 22.106 16.058 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -6.701 22.966 15.640 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -7.202 21.554 15.425 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -10.124 24.503 16.820 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -9.470 23.953 17.252 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -10.100 24.229 15.904 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -7.934 21.024 20.132 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -8.153 21.554 19.366 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -8.602 21.251 20.780 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -0.565 30.524 13.676 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -0.861 30.202 12.825 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.889 31.424 13.718 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -8.340 22.916 18.085 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -7.727 23.549 18.458 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -7.828 22.444 17.428 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 2.200 31.639 13.836 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 1.943 30.949 13.224 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 2.271 31.196 14.681 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -1.641 27.167 12.085 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -2.353 27.702 11.734 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -0.950 27.223 11.425 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -1.587 25.625 9.124 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -0.886 25.647 9.775 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -1.285 24.997 8.468 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -6.590 28.007 14.920 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -6.920 27.637 14.101 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -6.002 27.337 15.266 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 0.636 26.539 10.722 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 1.215 26.689 11.469 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 1.050 27.010 9.999 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -1.638 33.276 14.157 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -1.164 33.571 14.935 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -2.201 34.014 13.924 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -7.600 27.077 12.509 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -7.892 27.845 12.018 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -8.274 26.417 12.346 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 5.524 32.655 8.912 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 5.597 33.594 9.082 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 6.429 32.350 8.855 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -2.166 36.232 12.572 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -2.241 36.111 11.626 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -2.133 37.182 12.691 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -8.512 35.021 14.353 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -8.360 34.673 15.232 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -9.363 34.665 14.098 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 0.936 35.386 9.575 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 1.311 34.642 9.104 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 0.940 35.116 10.493 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 0.605 35.312 12.324 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -0.330 35.412 12.503 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 0.885 34.603 12.902 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -6.639 19.233 18.363 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -7.500 19.146 17.955 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -6.661 20.089 18.790 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 2.113 27.572 8.352 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 2.155 27.349 7.422 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 2.962 27.970 8.542 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -6.551 24.420 14.370 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -7.444 24.079 14.311 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -6.100 24.043 13.614 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -1.015 24.836 13.187 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -1.424 25.651 12.895 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -0.295 24.696 12.572 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -10.915 22.381 10.599 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -10.441 22.972 10.014 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -11.633 22.912 10.946 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -9.141 23.476 14.283 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -10.030 23.576 13.943 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -8.845 22.634 13.937 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -5.488 23.476 11.939 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -4.556 23.605 12.117 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -5.703 24.146 11.290 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -7.647 20.771 13.761 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -7.964 19.869 13.726 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -6.866 20.773 13.209 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -3.479 29.236 11.442 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -4.223 28.729 11.119 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -3.613 29.285 12.388 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 0.419 22.050 9.641 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -0.519 22.162 9.490 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 0.716 22.907 9.947 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 1.137 23.917 11.302 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 2.029 23.780 11.621 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 1.194 24.708 10.765 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 4.318 32.913 11.461 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 3.945 32.087 11.771 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 4.595 32.730 10.564 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -5.979 32.049 14.616 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -5.452 32.822 14.415 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -6.859 32.274 14.314 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -4.552 29.712 14.192 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -4.793 30.637 14.234 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -5.292 29.253 14.588 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -5.868 34.734 13.737 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -6.818 34.839 13.789 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -5.517 35.554 14.082 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 1.710 30.889 9.282 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 2.063 30.509 10.086 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 0.761 30.796 9.368 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -9.712 21.745 22.084 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -10.605 22.084 22.017 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -9.811 20.890 22.502 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 2.576 29.562 11.508 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 2.299 28.834 12.064 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 3.503 29.681 11.714 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -0.193 21.138 12.071 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 0.027 21.610 11.268 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 0.365 21.533 12.742 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -2.993 22.866 12.906 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -2.181 23.370 12.952 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -3.238 22.721 13.820 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -2.109 19.947 13.844 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -2.456 20.565 14.489 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -1.451 20.448 13.363 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -10.139 32.824 13.542 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -10.971 33.297 13.569 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -9.593 33.334 12.943 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 2.443 33.681 8.101 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 2.726 32.887 8.554 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 3.183 33.914 7.540 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -5.453 27.563 10.264 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -5.912 27.079 10.950 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -5.198 26.895 9.628 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 5.008 28.161 7.972 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 4.735 27.736 7.159 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 5.048 29.092 7.755 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -12.267 36.526 14.088 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -12.914 36.064 13.555 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -11.912 35.854 14.671 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -11.397 34.607 15.893 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -11.731 33.726 16.065 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -11.175 34.952 16.757 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -11.317 27.682 18.344 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -11.133 27.600 17.409 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -10.468 27.558 18.768 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 3.726 21.632 7.830 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 4.336 21.260 8.467 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 2.889 21.210 8.026 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -12.194 24.264 18.445 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -11.702 24.043 17.655 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -11.832 25.105 18.726 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -11.917 19.260 20.844 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -12.582 19.014 21.487 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -12.360 19.882 20.267 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -10.604 18.565 10.478 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -10.165 19.176 9.887 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -11.238 19.103 10.952 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -4.861 18.694 14.488 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -3.987 19.082 14.458 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -4.997 18.479 15.411 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 2.049 18.750 11.830 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 1.346 19.364 11.620 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 1.604 17.912 11.961 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -3.717 20.774 11.378 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -3.539 20.128 12.061 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -3.771 21.608 11.845 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -7.934 39.880 -17.580 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -8.153 40.410 -18.346 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -8.602 40.107 -16.932 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -1.976 37.811 -15.975 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -1.556 37.396 -15.222 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -2.909 37.633 -15.858 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -9.712 40.601 -15.628 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -10.605 40.940 -15.695 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -9.811 39.746 -15.210 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -10.111 45.303 -12.466 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -9.703 44.446 -12.587 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -10.371 45.318 -11.545 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -5.824 41.667 -14.009 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -5.674 40.938 -14.612 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -5.822 42.444 -14.568 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -5.412 40.037 -16.517 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -4.876 40.488 -17.169 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -6.264 39.929 -16.939 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -7.346 42.865 -12.098 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -8.113 42.333 -12.308 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -6.667 42.555 -12.697 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -4.606 37.493 -16.085 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -4.704 38.440 -16.191 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -5.349 37.121 -16.561 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -3.342 41.815 -12.522 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -3.578 41.595 -11.620 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -4.125 41.608 -13.031 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -9.165 40.786 -12.393 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -8.954 40.079 -13.004 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -9.277 40.348 -11.549 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -4.384 36.787 -13.414 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -3.672 36.147 -13.428 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -4.485 37.054 -14.328 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -11.719 41.809 -13.227 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -10.800 41.687 -12.991 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -12.169 41.059 -12.838 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 6.282 37.341 -11.350 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 6.632 36.687 -11.956 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 6.429 38.178 -11.790 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -11.917 38.116 -16.868 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -12.582 37.870 -16.225 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -12.360 38.738 -17.445 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 0.912 36.820 -11.802 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 0.988 36.394 -10.948 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 1.805 36.834 -12.144 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -1.429 46.034 -0.804 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -1.467 45.388 -0.099 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -1.752 45.568 -1.575 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -8.137 50.099 -0.676 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -8.507 49.297 -1.045 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -7.196 49.930 -0.629 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -3.040 48.467 -0.398 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -2.736 47.781 -0.992 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -2.318 48.585 0.220 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 0.101 42.861 -0.070 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 0.244 41.914 -0.050 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -0.005 43.068 -0.999 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 0.978 41.093 -4.397 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 1.624 40.764 -3.772 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 1.488 41.611 -5.020 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -4.968 44.909 -2.820 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -4.352 44.383 -2.311 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -5.554 44.269 -3.224 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 2.742 40.384 -2.416 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 2.527 39.618 -1.884 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 3.398 40.856 -1.903 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -10.836 49.191 -6.867 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -11.108 49.420 -7.756 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -10.791 50.029 -6.407 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 3.089 39.099 1.263 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 2.353 39.710 1.225 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 3.773 39.514 0.737 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 1.662 44.407 3.249 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 1.742 45.170 3.821 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 1.061 44.686 2.558 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -6.590 46.863 -3.936 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -6.920 46.493 -4.755 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -6.002 46.193 -3.590 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -5.223 50.291 -1.255 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -5.318 49.713 -2.012 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -4.494 49.920 -0.759 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -5.343 50.031 4.414 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -5.655 50.813 4.870 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -5.993 49.878 3.728 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -7.104 52.103 5.178 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -7.096 51.967 4.230 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -8.020 51.985 5.430 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 4.334 37.145 -8.321 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 3.435 37.284 -8.026 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 4.586 37.976 -8.723 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -7.600 45.933 -6.347 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -7.892 46.701 -6.838 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -8.274 45.273 -6.510 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -11.507 48.296 2.468 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -12.008 48.268 1.653 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -11.501 47.390 2.778 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -11.756 51.076 -0.648 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -10.810 50.932 -0.667 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -11.869 51.860 -0.111 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -2.580 51.316 3.910 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -2.493 52.142 4.385 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -3.444 50.986 4.159 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -8.512 53.877 -4.503 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -8.360 53.529 -3.624 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -9.363 53.521 -4.758 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 3.593 43.235 5.514 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 3.186 43.716 4.794 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 3.634 42.330 5.207 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -9.258 49.619 3.511 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -9.041 49.258 4.371 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -10.113 49.245 3.301 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 1.350 41.567 3.735 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 0.836 41.441 4.532 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 1.195 42.479 3.490 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -2.314 40.304 -9.834 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -2.568 40.323 -8.911 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -2.571 39.432 -10.135 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -1.015 43.692 -5.669 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -1.424 44.507 -5.961 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -0.295 43.552 -6.284 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -1.913 43.867 5.819 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -2.476 43.163 6.139 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -1.087 43.747 6.286 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -0.011 43.138 -2.855 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -0.206 43.743 -3.570 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 0.171 42.304 -3.290 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -5.432 40.749 -10.733 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -5.863 40.304 -10.003 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -6.150 41.121 -11.245 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -0.747 44.776 1.816 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.423 44.145 1.173 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -1.187 44.241 2.477 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -5.488 42.332 -6.917 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -4.556 42.461 -6.739 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -5.703 43.002 -7.566 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -6.814 43.527 -9.350 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -7.356 43.147 -10.041 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -5.980 43.721 -9.779 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -2.649 43.491 -1.513 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -2.085 42.944 -2.060 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -2.797 42.969 -0.724 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -1.959 48.276 3.823 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -2.305 47.895 4.629 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -2.159 49.210 3.894 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -4.329 45.365 5.883 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -4.625 45.199 4.988 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -3.398 45.145 5.873 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -5.979 50.905 -4.240 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -5.452 51.678 -4.441 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -6.859 51.130 -4.542 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -10.224 45.767 -9.653 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -9.608 46.394 -9.274 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -11.086 46.083 -9.382 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -4.552 48.568 -4.664 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -4.793 49.493 -4.622 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -5.292 48.109 -4.268 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -4.037 52.717 1.651 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -3.674 53.572 1.418 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -3.505 52.425 2.392 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -0.493 48.816 1.352 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -0.919 48.589 2.178 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 0.088 48.078 1.169 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -10.061 52.406 1.663 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -9.844 51.474 1.632 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -9.814 52.680 2.547 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -8.809 47.680 -8.161 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -9.495 48.032 -7.594 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -8.286 48.443 -8.407 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -0.193 39.994 -6.785 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 0.027 40.466 -7.588 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 0.365 40.389 -6.114 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -2.993 41.722 -5.950 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -2.181 42.226 -5.904 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -3.238 41.577 -5.036 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -2.109 38.803 -5.012 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -2.456 39.421 -4.367 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -1.451 39.304 -5.493 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 3.747 40.615 4.070 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 2.831 40.878 3.982 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 4.083 40.612 3.173 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 2.349 44.366 -1.834 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 1.552 43.951 -2.163 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 2.794 43.675 -1.343 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -8.193 50.294 -9.264 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -7.601 50.993 -8.988 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -7.734 49.861 -9.983 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -9.877 42.958 -10.148 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -9.922 43.897 -9.969 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -10.765 42.722 -10.418 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -10.139 51.680 -5.314 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -10.971 52.153 -5.287 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -9.593 52.190 -5.913 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -10.943 48.103 6.970 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -10.799 47.201 6.684 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -11.716 48.389 6.482 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -4.288 48.073 6.403 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -4.616 48.344 5.545 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -4.136 47.132 6.315 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -5.453 46.419 -8.592 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -5.912 45.935 -7.906 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -5.198 45.751 -9.228 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -4.382 44.662 -10.329 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -4.562 44.508 -11.257 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -3.431 44.770 -10.285 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -1.144 46.783 7.042 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -0.191 46.867 7.014 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -1.304 46.072 7.661 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 0.586 43.291 7.607 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.778 42.360 7.496 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 1.443 43.716 7.597 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 1.008 39.576 7.415 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 0.911 38.624 7.409 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 0.686 39.845 8.276 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -10.916 49.989 -9.845 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -10.002 50.068 -9.572 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -10.909 49.302 -10.512 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -12.267 55.382 -4.768 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -12.914 54.920 -5.301 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -11.912 54.710 -4.185 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -11.397 53.463 -2.963 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -11.731 52.582 -2.791 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -11.175 53.808 -2.099 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 3.970 42.624 -0.624 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 4.903 42.836 -0.658 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 3.735 42.726 0.299 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 3.999 43.361 2.152 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 3.156 43.629 2.518 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 4.442 44.183 1.941 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 3.972 39.306 -6.011 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 4.154 38.857 -5.186 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 3.372 38.721 -6.475 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -9.725 51.291 6.132 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -10.546 51.466 5.672 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -9.977 51.218 7.053 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -6.771 52.266 2.391 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -7.196 53.075 2.108 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -5.866 52.351 2.089 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 4.803 37.540 3.674 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 3.990 37.865 3.286 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 5.036 36.780 3.141 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -9.954 54.145 -0.651 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -9.973 53.720 0.206 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -9.149 53.827 -1.060 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -7.813 52.855 -1.996 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -8.032 51.939 -1.827 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -6.989 52.995 -1.530 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -5.276 53.325 -1.148 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -5.063 52.437 -1.435 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -5.211 53.291 -0.193 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 3.375 37.096 -1.891 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 3.979 37.644 -2.392 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 2.506 37.416 -2.131 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 5.102 38.235 -3.557 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 5.714 37.721 -4.084 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 5.485 39.113 -3.534 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 0.696 37.580 -2.719 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 0.772 37.675 -3.668 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 0.420 36.672 -2.590 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 2.049 37.606 -7.026 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 1.346 38.220 -7.236 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 1.604 36.768 -6.895 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -10.703 53.369 -7.480 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -11.388 53.331 -8.148 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -10.700 54.282 -7.192 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -3.717 39.630 -7.478 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -3.539 38.984 -6.795 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -3.771 40.464 -7.011 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 0.912 36.820 7.054 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 0.988 36.394 7.908 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 1.805 36.834 6.712 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -11.527 43.759 13.573 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -11.975 44.605 13.555 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -12.088 43.179 13.058 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -1.587 44.481 9.124 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -0.886 44.503 9.775 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -1.285 43.853 8.468 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -7.600 45.933 12.509 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -7.892 46.701 12.018 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -8.274 45.273 12.346 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -12.190 40.491 15.175 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -11.559 40.462 15.895 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -11.740 40.066 14.445 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -10.915 41.237 10.599 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -10.441 41.828 10.014 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -11.633 41.768 10.946 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -5.488 42.332 11.939 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -4.556 42.461 12.117 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -5.703 43.002 11.290 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -6.814 43.527 9.506 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -7.356 43.147 8.815 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -5.980 43.721 9.077 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -7.647 39.627 13.761 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -7.964 38.725 13.726 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -6.866 39.629 13.209 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 0.419 40.906 9.641 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -0.519 41.018 9.490 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 0.716 41.763 9.947 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -4.199 50.857 7.729 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -3.960 50.109 7.181 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -4.468 50.469 8.561 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -8.809 47.680 10.695 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -9.495 48.032 11.262 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -8.286 48.443 10.449 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -0.193 39.994 12.071 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 0.027 40.466 11.268 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 0.365 40.389 12.742 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 -2.993 41.722 12.906 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -2.181 42.226 12.952 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 -3.238 41.577 13.820 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -2.109 38.803 13.844 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -2.456 39.421 14.489 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -1.451 39.304 13.363 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -6.452 39.866 10.532 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -6.535 40.755 10.878 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -5.562 39.601 10.763 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -8.193 50.294 9.592 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -7.601 50.993 9.868 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -7.734 49.861 8.873 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 -6.602 48.447 7.958 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 -6.538 47.653 8.489 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 -5.949 48.328 7.269 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -5.453 46.419 10.264 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -5.912 45.935 10.950 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 -5.198 45.751 9.628 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -4.382 44.662 8.527 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -4.562 44.508 7.599 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -3.431 44.770 8.571 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -10.916 49.989 9.011 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -10.002 50.068 9.284 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -10.909 49.302 8.344 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 3.726 40.488 7.830 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 4.336 40.116 8.467 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 2.889 40.066 8.026 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -11.881 39.378 12.500 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -12.806 39.587 12.370 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -11.427 39.862 11.810 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -9.441 37.623 14.675 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -10.218 37.389 14.167 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -8.910 36.826 14.683 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -4.861 37.550 14.488 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -3.987 37.938 14.458 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -4.997 37.335 15.411 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 2.049 37.606 11.830 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 1.346 38.220 11.620 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 1.604 36.768 11.961 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -3.717 39.630 11.378 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -3.539 38.984 12.061 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -3.771 40.464 11.845 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 7.329 24.903 -5.283 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 6.881 25.749 -5.301 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 6.768 24.323 -5.798 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 8.039 27.065 -3.157 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 8.253 26.295 -2.630 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 8.777 27.154 -3.760 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 8.020 30.335 -6.867 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 7.748 30.564 -7.756 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 8.065 31.173 -6.407 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 7.349 29.440 2.468 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 6.848 29.412 1.653 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 7.355 28.534 2.778 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 7.100 32.220 -0.648 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 8.046 32.076 -0.667 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 6.987 33.004 -0.111 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 6.666 21.635 -3.681 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 7.297 21.606 -2.961 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 7.116 21.210 -4.411 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 7.510 26.992 3.670 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 7.733 26.574 4.502 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 6.908 26.379 3.248 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 8.717 32.824 -5.314 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 7.885 33.297 -5.287 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 9.263 33.334 -5.913 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 7.940 31.133 -9.845 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 8.854 31.212 -9.572 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 7.947 30.446 -10.512 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 6.589 36.526 -4.768 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 5.942 36.064 -5.301 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 6.944 35.854 -4.185 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 7.459 34.607 -2.963 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 7.125 33.726 -2.791 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 7.681 34.952 -2.099 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 7.539 27.682 -0.512 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 7.723 27.600 -1.447 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 8.388 27.558 -0.088 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 6.662 24.264 -0.411 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 7.154 24.043 -1.201 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 7.024 25.105 -0.130 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 8.153 34.513 -7.480 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 7.468 34.475 -8.148 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 8.156 35.426 -7.192 0.00 0.00 WAT1 END