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 13:35:05 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.397 37.591 -3.835 1.00 12.44 ATOM 2 CB MET 1 3.984 38.194 -5.846 1.00 1.42 ATOM 3 HB1 MET 1 3.545 39.098 -5.446 1.00 37.62 ATOM 4 HB2 MET 1 3.190 37.488 -6.062 1.00 4.02 ATOM 5 CG MET 1 4.690 38.544 -7.146 1.00 32.11 ATOM 6 HG1 MET 1 5.134 37.646 -7.549 1.00 37.62 ATOM 7 HG2 MET 1 5.467 39.265 -6.938 1.00 30.54 ATOM 8 SD MET 1 3.577 39.262 -8.369 1.00 73.13 ATOM 9 CE MET 1 3.936 38.239 -9.795 1.00 53.22 ATOM 10 HE1 MET 1 3.137 38.333 -10.516 1.00 12.22 ATOM 11 HE2 MET 1 4.026 37.208 -9.488 1.00 4.24 ATOM 12 HE3 MET 1 4.862 38.565 -10.242 1.00 51.25 ATOM 13 C MET 1 5.292 36.175 -5.161 1.00 70.42 ATOM 14 O MET 1 6.302 35.943 -5.824 1.00 3.50 ATOM 15 N MET 1 6.104 38.434 -4.636 1.00 22.44 ATOM 16 HT1 MET 1 6.638 38.132 -3.794 1.00 37.62 ATOM 17 HT2 MET 1 5.842 39.436 -4.512 1.00 37.62 ATOM 18 HT3 MET 1 6.731 38.352 -5.465 1.00 37.62 ATOM 19 CA MET 1 4.914 37.604 -4.785 1.00 23.34 ATOM 20 N GLY 2 4.473 35.218 -4.733 1.00 41.24 ATOM 21 HN GLY 2 3.676 35.451 -4.205 1.00 37.62 ATOM 22 CA GLY 2 4.739 33.824 -5.035 1.00 62.04 ATOM 23 HA1 GLY 2 4.143 33.214 -4.372 1.00 37.62 ATOM 24 HA2 GLY 2 5.785 33.607 -4.849 1.00 51.43 ATOM 25 C GLY 2 4.388 33.463 -6.465 1.00 14.00 ATOM 26 O GLY 2 3.244 33.625 -6.891 1.00 15.53 ATOM 27 N HIS 3 5.374 32.973 -7.210 1.00 13.13 ATOM 28 HN HIS 3 6.269 32.850 -6.812 1.00 37.62 ATOM 29 CA HIS 3 5.163 32.589 -8.601 1.00 12.20 ATOM 30 HA HIS 3 4.395 33.224 -9.024 1.00 51.52 ATOM 31 CB HIS 3 6.457 32.751 -9.399 1.00 2.05 ATOM 32 HB1 HIS 3 6.443 32.093 -10.260 1.00 37.62 ATOM 33 HB2 HIS 3 7.299 32.492 -8.775 1.00 43.14 ATOM 34 CG HIS 3 6.677 34.142 -9.907 1.00 5.51 ATOM 35 ND1 HIS 3 7.921 34.632 -10.247 1.00 22.44 ATOM 36 HD1 HIS 3 8.765 34.137 -10.193 1.00 40.25 ATOM 37 CD2 HIS 3 5.803 35.151 -10.135 1.00 24.44 ATOM 38 HD2 HIS 3 4.734 35.123 -9.982 1.00 21.33 ATOM 39 CE1 HIS 3 7.803 35.881 -10.659 1.00 72.14 ATOM 40 HE1 HIS 3 8.612 36.517 -10.988 1.00 15.22 ATOM 41 NE2 HIS 3 6.528 36.220 -10.602 1.00 35.25 ATOM 42 HE2 HIS 3 6.146 37.013 -11.029 1.00 37.62 ATOM 43 C HIS 3 4.668 31.149 -8.698 1.00 42.12 ATOM 44 O HIS 3 3.606 30.883 -9.262 1.00 1.41 ATOM 45 N HIS 4 5.445 30.223 -8.146 1.00 23.12 ATOM 46 HN HIS 4 6.279 30.495 -7.694 1.00 37.62 ATOM 47 CA HIS 4 5.086 28.809 -8.171 1.00 0.54 ATOM 48 HA HIS 4 4.385 28.634 -8.980 1.00 64.24 ATOM 49 CB HIS 4 6.327 27.950 -8.416 1.00 53.44 ATOM 50 HB1 HIS 4 6.050 26.904 -8.405 1.00 37.62 ATOM 51 HB2 HIS 4 7.045 28.133 -7.629 1.00 24.14 ATOM 52 CG HIS 4 6.997 28.227 -9.727 1.00 13.00 ATOM 53 ND1 HIS 4 6.328 28.208 -10.933 1.00 1.22 ATOM 54 HD1 HIS 4 5.375 28.017 -11.056 1.00 24.51 ATOM 55 CD2 HIS 4 8.283 28.532 -10.017 1.00 3.14 ATOM 56 HD2 HIS 4 9.093 28.633 -9.308 1.00 10.15 ATOM 57 CE1 HIS 4 7.175 28.488 -11.908 1.00 13.04 ATOM 58 HE1 HIS 4 6.933 28.544 -12.959 1.00 62.44 ATOM 59 NE2 HIS 4 8.368 28.689 -11.378 1.00 50.21 ATOM 60 HE2 HIS 4 9.157 29.003 -11.867 1.00 37.62 ATOM 61 C HIS 4 4.417 28.396 -6.863 1.00 63.11 ATOM 62 O HIS 4 4.314 29.191 -5.928 1.00 25.41 ATOM 63 N HIS 5 3.963 27.148 -6.805 1.00 22.10 ATOM 64 HN HIS 5 4.078 26.553 -7.584 1.00 37.62 ATOM 65 CA HIS 5 3.304 26.629 -5.612 1.00 11.01 ATOM 66 HA HIS 5 2.758 27.448 -5.161 1.00 24.31 ATOM 67 CB HIS 5 2.322 25.519 -5.988 1.00 52.21 ATOM 68 HB1 HIS 5 2.853 24.584 -6.123 1.00 37.62 ATOM 69 HB2 HIS 5 1.835 25.780 -6.918 1.00 45.21 ATOM 70 CG HIS 5 1.246 25.301 -4.969 1.00 71.23 ATOM 71 ND1 HIS 5 0.687 26.324 -4.233 1.00 44.43 ATOM 72 HD1 HIS 5 0.915 27.273 -4.301 1.00 34.32 ATOM 73 CD2 HIS 5 0.624 24.168 -4.567 1.00 25.40 ATOM 74 HD2 HIS 5 0.811 23.169 -4.936 1.00 43.13 ATOM 75 CE1 HIS 5 -0.230 25.830 -3.421 1.00 42.11 ATOM 76 HE1 HIS 5 -0.831 26.398 -2.727 1.00 5.11 ATOM 77 NE2 HIS 5 -0.288 24.523 -3.604 1.00 41.33 ATOM 78 HE2 HIS 5 -0.951 23.925 -3.200 1.00 37.62 ATOM 79 C HIS 5 4.328 26.101 -4.612 1.00 32.04 ATOM 80 O HIS 5 5.160 25.257 -4.946 1.00 41.33 ATOM 81 N HIS 6 4.261 26.604 -3.383 1.00 23.43 ATOM 82 HN HIS 6 3.566 27.268 -3.163 1.00 37.62 ATOM 83 CA HIS 6 5.183 26.182 -2.334 1.00 11.44 ATOM 84 HA HIS 6 6.027 25.669 -2.789 1.00 65.33 ATOM 85 CB HIS 6 5.707 27.398 -1.568 1.00 62.40 ATOM 86 HB1 HIS 6 6.082 27.087 -0.599 1.00 37.62 ATOM 87 HB2 HIS 6 4.901 28.103 -1.422 1.00 23.22 ATOM 88 CG HIS 6 6.819 28.114 -2.271 1.00 12.32 ATOM 89 ND1 HIS 6 6.887 28.235 -3.643 1.00 4.44 ATOM 90 HD1 HIS 6 6.241 27.891 -4.282 1.00 23.30 ATOM 91 CD2 HIS 6 7.909 28.751 -1.783 1.00 40.43 ATOM 92 HD2 HIS 6 8.177 28.855 -0.741 1.00 11.33 ATOM 93 CE1 HIS 6 7.973 28.914 -3.969 1.00 13.43 ATOM 94 HE1 HIS 6 8.286 29.162 -4.973 1.00 0.22 ATOM 95 NE2 HIS 6 8.610 29.240 -2.858 1.00 60.44 ATOM 96 HE2 HIS 6 9.492 29.665 -2.817 1.00 37.62 ATOM 97 C HIS 6 4.503 25.214 -1.370 1.00 64.22 ATOM 98 O HIS 6 3.307 25.327 -1.101 1.00 2.03 ATOM 99 N HIS 7 5.274 24.261 -0.855 1.00 0.11 ATOM 100 HN HIS 7 6.225 24.212 -1.103 1.00 37.62 ATOM 101 CA HIS 7 4.746 23.272 0.079 1.00 41.35 ATOM 102 HA HIS 7 5.540 22.568 0.284 1.00 32.43 ATOM 103 CB HIS 7 4.309 23.949 1.378 1.00 54.12 ATOM 104 HB1 HIS 7 3.284 24.291 1.296 1.00 37.62 ATOM 105 HB2 HIS 7 4.945 24.805 1.559 1.00 34.55 ATOM 106 CG HIS 7 4.412 23.062 2.580 1.00 62.42 ATOM 107 ND1 HIS 7 5.527 22.300 2.859 1.00 4.45 ATOM 108 HD1 HIS 7 6.344 22.260 2.319 1.00 31.22 ATOM 109 CD2 HIS 7 3.532 22.818 3.579 1.00 72.54 ATOM 110 HD2 HIS 7 2.546 23.249 3.684 1.00 43.11 ATOM 111 CE1 HIS 7 5.328 21.625 3.977 1.00 10.33 ATOM 112 HE1 HIS 7 6.030 20.947 4.439 1.00 60.21 ATOM 113 NE2 HIS 7 4.125 21.922 4.434 1.00 34.31 ATOM 114 HE2 HIS 7 3.690 21.492 5.199 1.00 37.62 ATOM 115 C HIS 7 3.571 22.518 -0.536 1.00 63.44 ATOM 116 O HIS 7 2.595 22.206 0.146 1.00 32.20 ATOM 117 N HIS 8 3.672 22.228 -1.830 1.00 23.52 ATOM 118 HN HIS 8 4.480 22.498 -2.320 1.00 37.62 ATOM 119 CA HIS 8 2.618 21.509 -2.537 1.00 13.43 ATOM 120 HA HIS 8 1.678 22.013 -2.349 1.00 23.32 ATOM 121 CB HIS 8 2.886 21.519 -4.042 1.00 54.30 ATOM 122 HB1 HIS 8 2.917 22.543 -4.385 1.00 37.62 ATOM 123 HB2 HIS 8 2.087 21.000 -4.554 1.00 72.32 ATOM 124 CG HIS 8 4.180 20.869 -4.424 1.00 53.44 ATOM 125 ND1 HIS 8 5.376 21.552 -4.485 1.00 0.45 ATOM 126 HD1 HIS 8 5.502 22.505 -4.292 1.00 53.54 ATOM 127 CD2 HIS 8 4.461 19.590 -4.766 1.00 10.14 ATOM 128 HD2 HIS 8 3.756 18.773 -4.825 1.00 72.23 ATOM 129 CE1 HIS 8 6.337 20.722 -4.848 1.00 31.21 ATOM 130 HE1 HIS 8 7.378 20.978 -4.977 1.00 52.33 ATOM 131 NE2 HIS 8 5.808 19.524 -5.024 1.00 50.43 ATOM 132 HE2 HIS 8 6.314 18.704 -5.201 1.00 37.62 ATOM 133 C HIS 8 2.510 20.072 -2.037 1.00 11.03 ATOM 134 O HIS 8 1.427 19.487 -2.027 1.00 54.53 ATOM 135 N SER 9 3.640 19.508 -1.623 1.00 1.23 ATOM 136 HN SER 9 4.484 20.014 -1.669 1.00 37.62 ATOM 137 CA SER 9 3.673 18.138 -1.126 1.00 23.33 ATOM 138 HA SER 9 3.366 17.482 -1.929 1.00 55.05 ATOM 139 CB SER 9 5.093 17.762 -0.698 1.00 3.22 ATOM 140 HB1 SER 9 5.425 18.434 0.081 1.00 37.62 ATOM 141 HB2 SER 9 5.755 17.843 -1.547 1.00 20.24 ATOM 142 OG SER 9 5.144 16.433 -0.208 1.00 12.40 ATOM 143 HG SER 9 6.059 16.174 -0.079 1.00 23.32 ATOM 144 C SER 9 2.713 17.962 0.047 1.00 63.41 ATOM 145 O SER 9 2.250 18.938 0.637 1.00 52.21 ATOM 146 N HIS 10 2.419 16.709 0.380 1.00 72.24 ATOM 147 HN HIS 10 2.811 15.963 -0.132 1.00 37.62 ATOM 148 CA HIS 10 1.514 16.403 1.482 1.00 22.02 ATOM 149 HA HIS 10 1.325 17.304 2.053 1.00 13.31 ATOM 150 CB HIS 10 0.181 15.880 0.946 1.00 1.41 ATOM 151 HB1 HIS 10 -0.222 16.597 0.246 1.00 37.62 ATOM 152 HB2 HIS 10 -0.511 15.761 1.767 1.00 4.31 ATOM 153 CG HIS 10 0.293 14.563 0.243 1.00 23.54 ATOM 154 ND1 HIS 10 -0.046 13.363 0.834 1.00 44.51 ATOM 155 HD1 HIS 10 -0.385 13.250 1.747 1.00 12.45 ATOM 156 CD2 HIS 10 0.708 14.259 -1.009 1.00 4.51 ATOM 157 HD2 HIS 10 1.049 14.959 -1.759 1.00 4.24 ATOM 158 CE1 HIS 10 0.158 12.380 -0.024 1.00 32.30 ATOM 159 HE1 HIS 10 -0.020 11.331 0.163 1.00 43.24 ATOM 160 NE2 HIS 10 0.615 12.897 -1.150 1.00 72.32 ATOM 161 HE2 HIS 10 0.760 12.400 -1.982 1.00 37.62 ATOM 162 C HIS 10 2.135 15.376 2.425 1.00 55.20 ATOM 163 O HIS 10 1.425 14.625 3.093 1.00 70.42 ATOM 164 N MET 11 3.462 15.350 2.473 1.00 44.40 ATOM 165 HN MET 11 3.985 15.989 1.936 1.00 37.62 ATOM 166 CA MET 11 4.177 14.416 3.334 1.00 25.14 ATOM 167 HA MET 11 3.848 13.414 3.090 1.00 21.33 ATOM 168 CB MET 11 5.685 14.523 3.099 1.00 43.51 ATOM 169 HB1 MET 11 6.219 14.084 3.936 1.00 37.62 ATOM 170 HB2 MET 11 5.950 15.569 3.034 1.00 54.45 ATOM 171 CG MET 11 6.151 13.843 1.822 1.00 51.43 ATOM 172 HG1 MET 11 7.139 14.207 1.580 1.00 37.62 ATOM 173 HG2 MET 11 5.475 14.100 1.017 1.00 23.32 ATOM 174 SD MET 11 6.208 12.047 1.972 1.00 54.51 ATOM 175 CE MET 11 7.910 11.803 2.471 1.00 45.13 ATOM 176 HE1 MET 11 8.568 12.194 1.709 1.00 53.14 ATOM 177 HE2 MET 11 8.099 10.748 2.603 1.00 42.12 ATOM 178 HE3 MET 11 8.090 12.320 3.402 1.00 31.45 ATOM 179 C MET 11 3.860 14.679 4.803 1.00 24.21 ATOM 180 O MET 11 3.639 13.747 5.576 1.00 1.33 ATOM 181 N ALA 12 3.841 15.953 5.181 1.00 74.12 ATOM 182 HN ALA 12 4.043 16.658 4.521 1.00 37.62 ATOM 183 CA ALA 12 3.549 16.338 6.556 1.00 20.51 ATOM 184 HA ALA 12 4.341 15.951 7.185 1.00 73.24 ATOM 185 CB ALA 12 3.542 17.853 6.690 1.00 12.11 ATOM 186 HB1 ALA 12 3.382 18.127 7.724 1.00 10.33 ATOM 187 HB2 ALA 12 2.752 18.269 6.081 1.00 20.13 ATOM 188 HB3 ALA 12 4.492 18.245 6.359 1.00 0.24 ATOM 189 C ALA 12 2.216 15.757 7.018 1.00 44.44 ATOM 190 O ALA 12 1.311 15.536 6.213 1.00 43.52 ATOM 191 N LYS 13 2.102 15.512 8.318 1.00 23.44 ATOM 192 HN LYS 13 2.864 15.696 8.917 1.00 37.62 ATOM 193 CA LYS 13 0.880 14.957 8.888 1.00 0.34 ATOM 194 HA LYS 13 0.062 15.115 8.200 1.00 61.22 ATOM 195 CB LYS 13 1.037 13.453 9.120 1.00 63.34 ATOM 196 HB1 LYS 13 0.248 13.101 9.777 1.00 37.62 ATOM 197 HB2 LYS 13 1.989 13.275 9.600 1.00 30.44 ATOM 198 CG LYS 13 0.996 12.633 7.841 1.00 14.34 ATOM 199 HG1 LYS 13 1.371 11.640 8.052 1.00 37.62 ATOM 200 HG2 LYS 13 1.630 13.097 7.099 1.00 21.01 ATOM 201 CD LYS 13 -0.416 12.536 7.287 1.00 2.02 ATOM 202 HD1 LYS 13 -0.354 12.352 6.224 1.00 37.62 ATOM 203 HD2 LYS 13 -0.952 13.458 7.456 1.00 12.33 ATOM 204 CE LYS 13 -1.189 11.394 7.929 1.00 52.21 ATOM 205 HE1 LYS 13 -1.106 11.469 9.006 1.00 37.62 ATOM 206 HE2 LYS 13 -0.763 10.458 7.601 1.00 60.23 ATOM 207 NZ LYS 13 -2.631 11.424 7.559 1.00 14.31 ATOM 208 HZ1 LYS 13 -3.130 10.632 8.013 1.00 24.51 ATOM 209 HZ2 LYS 13 -2.742 11.340 6.527 1.00 14.04 ATOM 210 HZ3 LYS 13 -3.067 12.316 7.873 1.00 62.15 ATOM 211 C LYS 13 0.529 15.650 10.201 1.00 0.12 ATOM 212 O LYS 13 0.633 15.072 11.283 1.00 35.32 ATOM 213 N PRO 14 0.102 16.918 10.107 1.00 44.24 ATOM 214 CA PRO 14 -0.275 17.716 11.277 1.00 4.11 ATOM 215 HA PRO 14 0.521 17.733 12.011 1.00 30.54 ATOM 216 CB PRO 14 -0.463 19.122 10.702 1.00 11.12 ATOM 217 HB1 PRO 14 0.459 19.674 10.803 1.00 37.62 ATOM 218 HB2 PRO 14 -1.256 19.649 11.220 1.00 71.31 ATOM 219 CG PRO 14 -0.799 18.903 9.267 1.00 31.25 ATOM 220 HG1 PRO 14 -0.482 19.753 8.681 1.00 37.62 ATOM 221 HG2 PRO 14 -1.862 18.747 9.158 1.00 64.44 ATOM 222 CD PRO 14 -0.045 17.671 8.849 1.00 34.44 ATOM 223 HD1 PRO 14 0.920 17.938 8.443 1.00 37.62 ATOM 224 HD2 PRO 14 -0.621 17.116 8.125 1.00 52.20 ATOM 225 C PRO 14 -1.567 17.226 11.921 1.00 51.01 ATOM 226 O PRO 14 -2.589 17.076 11.251 1.00 54.33 ATOM 227 N THR 15 -1.516 16.978 13.226 1.00 62.40 ATOM 228 HN THR 15 -0.674 17.129 13.718 1.00 37.62 ATOM 229 CA THR 15 -2.682 16.504 13.960 1.00 32.22 ATOM 230 HA THR 15 -3.315 15.932 13.287 1.00 0.42 ATOM 231 CB THR 15 -2.276 15.585 15.128 1.00 61.45 ATOM 232 HB THR 15 -3.154 15.356 15.721 1.00 54.30 ATOM 233 OG1 THR 15 -1.311 16.243 15.956 1.00 35.35 ATOM 234 HG1 THR 15 -1.343 15.876 16.844 1.00 24.45 ATOM 235 CG2 THR 15 -1.699 14.276 14.610 1.00 25.20 ATOM 236 HG21 THR 15 -0.824 14.478 14.009 1.00 22.23 ATOM 237 HG22 THR 15 -2.439 13.765 14.010 1.00 44.32 ATOM 238 HG23 THR 15 -1.423 13.651 15.446 1.00 33.14 ATOM 239 C THR 15 -3.499 17.669 14.507 1.00 43.34 ATOM 240 O THR 15 -4.724 17.595 14.591 1.00 52.43 ATOM 241 N ALA 16 -2.812 18.745 14.876 1.00 3.22 ATOM 242 HN ALA 16 -1.829 18.747 14.799 1.00 37.62 ATOM 243 CA ALA 16 -3.474 19.928 15.412 1.00 32.20 ATOM 244 HA ALA 16 -4.126 19.616 16.220 1.00 13.01 ATOM 245 CB ALA 16 -2.448 20.892 15.989 1.00 31.32 ATOM 246 HB1 ALA 16 -2.953 21.738 16.435 1.00 30.33 ATOM 247 HB2 ALA 16 -1.790 21.237 15.203 1.00 22.50 ATOM 248 HB3 ALA 16 -1.866 20.384 16.744 1.00 12.14 ATOM 249 C ALA 16 -4.310 20.621 14.342 1.00 75.14 ATOM 250 O ALA 16 -4.065 20.458 13.146 1.00 4.04 ATOM 251 N ARG 17 -5.300 21.394 14.778 1.00 24.33 ATOM 252 HN ARG 17 -5.458 21.487 15.746 1.00 37.62 ATOM 253 CA ARG 17 -6.173 22.110 13.857 1.00 73.11 ATOM 254 HA ARG 17 -5.811 21.975 12.842 1.00 73.10 ATOM 255 CB ARG 17 -7.600 21.566 13.947 1.00 14.31 ATOM 256 HB1 ARG 17 -8.301 22.317 13.599 1.00 37.62 ATOM 257 HB2 ARG 17 -7.821 21.350 14.984 1.00 0.34 ATOM 258 CG ARG 17 -7.817 20.289 13.151 1.00 11.54 ATOM 259 HG1 ARG 17 -8.606 19.722 13.623 1.00 37.62 ATOM 260 HG2 ARG 17 -6.909 19.698 13.147 1.00 23.20 ATOM 261 CD ARG 17 -8.227 20.589 11.718 1.00 40.20 ATOM 262 HD1 ARG 17 -8.840 21.483 11.696 1.00 37.62 ATOM 263 HD2 ARG 17 -8.807 19.755 11.350 1.00 43.15 ATOM 264 NE ARG 17 -7.071 20.771 10.845 1.00 44.13 ATOM 265 HE ARG 17 -6.185 20.517 11.194 1.00 22.53 ATOM 266 CZ ARG 17 -7.151 21.254 9.610 1.00 70.43 ATOM 267 NH1 ARG 17 -8.327 21.601 9.106 1.00 40.25 ATOM 268 HH11 ARG 17 -9.169 21.507 9.632 1.00 35.30 ATOM 269 HH12 ARG 17 -8.376 21.967 8.174 1.00 44.53 ATOM 270 NH2 ARG 17 -6.053 21.390 8.877 1.00 75.35 ATOM 271 HH21 ARG 17 -5.161 21.129 9.252 1.00 32.03 ATOM 272 HH22 ARG 17 -6.111 21.754 7.945 1.00 30.24 ATOM 273 C ARG 17 -6.168 23.606 14.155 1.00 40.51 ATOM 274 O ARG 17 -5.897 24.025 15.280 1.00 73.14 ATOM 275 N GLY 18 -6.469 24.408 13.138 1.00 43.42 ATOM 276 HN GLY 18 -6.680 24.027 12.255 1.00 37.62 ATOM 277 CA GLY 18 -6.492 25.849 13.311 1.00 51.12 ATOM 278 HA1 GLY 18 -6.063 26.298 12.427 1.00 37.62 ATOM 279 HA2 GLY 18 -5.887 26.140 14.163 1.00 50.22 ATOM 280 C GLY 18 -7.898 26.390 13.479 1.00 51.12 ATOM 281 O GLY 18 -8.682 26.403 12.530 1.00 21.24 ATOM 282 N GLU 19 -8.218 26.837 14.689 1.00 31.54 ATOM 283 HN GLU 19 -7.543 26.816 15.409 1.00 37.62 ATOM 284 CA GLU 19 -9.541 27.379 14.978 1.00 23.50 ATOM 285 HA GLU 19 -10.270 26.868 14.356 1.00 21.34 ATOM 286 CB GLU 19 -9.900 27.152 16.448 1.00 24.20 ATOM 287 HB1 GLU 19 -10.647 27.881 16.744 1.00 37.62 ATOM 288 HB2 GLU 19 -9.016 27.295 17.054 1.00 45.12 ATOM 289 CG GLU 19 -10.451 25.765 16.733 1.00 73.00 ATOM 290 HG1 GLU 19 -9.638 25.055 16.697 1.00 37.62 ATOM 291 HG2 GLU 19 -11.184 25.512 15.979 1.00 3.51 ATOM 292 CD GLU 19 -11.116 25.670 18.092 1.00 34.34 ATOM 293 OE1 GLU 19 -11.720 26.671 18.529 1.00 15.25 ATOM 294 OE2 GLU 19 -11.033 24.592 18.719 1.00 45.42 ATOM 295 C GLU 19 -9.601 28.868 14.652 1.00 11.13 ATOM 296 O GLU 19 -8.571 29.516 14.467 1.00 74.00 ATOM 297 N ALA 20 -10.815 29.404 14.584 1.00 74.02 ATOM 298 HN ALA 20 -11.606 28.831 14.730 1.00 37.62 ATOM 299 CA ALA 20 -11.011 30.817 14.282 1.00 31.50 ATOM 300 HA ALA 20 -10.254 31.391 14.803 1.00 75.23 ATOM 301 CB ALA 20 -10.845 31.065 12.790 1.00 11.52 ATOM 302 HB1 ALA 20 -11.606 30.525 12.244 1.00 63.14 ATOM 303 HB2 ALA 20 -9.870 30.722 12.477 1.00 52.41 ATOM 304 HB3 ALA 20 -10.935 32.123 12.584 1.00 5.15 ATOM 305 C ALA 20 -12.382 31.293 14.751 1.00 43.24 ATOM 306 O ALA 20 -13.202 30.500 15.211 1.00 4.00 ATOM 307 N GLY 21 -12.623 32.595 14.631 1.00 54.34 ATOM 308 HN GLY 21 -11.929 33.191 14.264 1.00 37.62 ATOM 309 CA GLY 21 -13.896 33.155 15.047 1.00 21.01 ATOM 310 HA1 GLY 21 -13.744 33.687 15.975 1.00 37.62 ATOM 311 HA2 GLY 21 -14.618 32.365 15.222 1.00 34.12 ATOM 312 C GLY 21 -14.463 34.125 14.030 1.00 12.30 ATOM 313 O GLY 21 -13.785 35.064 13.612 1.00 14.03 ATOM 314 N SER 22 -15.710 33.898 13.629 1.00 0.11 ATOM 315 HN SER 22 -16.204 33.124 13.992 1.00 37.62 ATOM 316 CA SER 22 -16.366 34.757 12.650 1.00 35.41 ATOM 317 HA SER 22 -16.097 35.786 12.858 1.00 61.52 ATOM 318 CB SER 22 -15.903 34.401 11.236 1.00 21.22 ATOM 319 HB1 SER 22 -16.354 35.078 10.524 1.00 37.62 ATOM 320 HB2 SER 22 -16.197 33.388 11.004 1.00 74.24 ATOM 321 OG SER 22 -14.494 34.497 11.122 1.00 23.22 ATOM 322 HG SER 22 -14.241 35.416 11.001 1.00 44.32 ATOM 323 C SER 22 -17.884 34.630 12.747 1.00 23.31 ATOM 324 O SER 22 -18.402 33.812 13.507 1.00 22.43 ATOM 325 N ARG 23 -18.590 35.445 11.971 1.00 12.33 ATOM 326 HN ARG 23 -18.115 36.054 11.358 1.00 37.62 ATOM 327 CA ARG 23 -20.048 35.426 11.970 1.00 40.12 ATOM 328 HA ARG 23 -20.391 35.463 12.997 1.00 34.21 ATOM 329 CB ARG 23 -20.595 36.647 11.228 1.00 44.14 ATOM 330 HB1 ARG 23 -21.669 36.677 11.348 1.00 37.62 ATOM 331 HB2 ARG 23 -20.362 36.547 10.173 1.00 74.13 ATOM 332 CG ARG 23 -20.025 37.966 11.723 1.00 14.33 ATOM 333 HG1 ARG 23 -18.955 37.891 11.842 1.00 37.62 ATOM 334 HG2 ARG 23 -20.472 38.198 12.677 1.00 62.12 ATOM 335 CD ARG 23 -20.330 39.102 10.759 1.00 71.00 ATOM 336 HD1 ARG 23 -20.376 40.015 11.337 1.00 37.62 ATOM 337 HD2 ARG 23 -21.288 38.935 10.282 1.00 72.23 ATOM 338 NE ARG 23 -19.301 39.239 9.732 1.00 61.00 ATOM 339 HE ARG 23 -18.681 38.484 9.596 1.00 34.53 ATOM 340 CZ ARG 23 -19.161 40.319 8.971 1.00 73.42 ATOM 341 NH1 ARG 23 -19.981 41.350 9.121 1.00 42.02 ATOM 342 HH11 ARG 23 -20.715 41.341 9.796 1.00 74.22 ATOM 343 HH12 ARG 23 -19.864 42.161 8.544 1.00 2.32 ATOM 344 NH2 ARG 23 -18.200 40.368 8.058 1.00 41.34 ATOM 345 HH21 ARG 23 -17.578 39.592 7.940 1.00 70.22 ATOM 346 HH22 ARG 23 -18.092 41.181 7.482 1.00 2.03 ATOM 347 C ARG 23 -20.574 34.148 11.324 1.00 32.54 ATOM 348 O ARG 23 -21.415 33.452 11.896 1.00 45.33 ATOM 349 N ASP 24 -20.075 33.844 10.131 1.00 3.44 ATOM 350 HN ASP 24 -19.402 34.441 9.723 1.00 37.62 ATOM 351 CA ASP 24 -20.494 32.649 9.408 1.00 3.42 ATOM 352 HA ASP 24 -21.560 32.675 9.309 1.00 42.32 ATOM 353 CB ASP 24 -19.863 32.623 8.015 1.00 25.23 ATOM 354 HB1 ASP 24 -18.826 32.918 8.090 1.00 37.62 ATOM 355 HB2 ASP 24 -20.381 33.317 7.376 1.00 5.43 ATOM 356 CG ASP 24 -19.920 31.247 7.380 1.00 43.51 ATOM 357 OD1 ASP 24 -20.932 30.543 7.579 1.00 41.20 ATOM 358 OD2 ASP 24 -18.953 30.876 6.683 1.00 62.30 ATOM 359 C ASP 24 -20.113 31.388 10.177 1.00 74.22 ATOM 360 O ASP 24 -20.851 30.403 10.174 1.00 64.40 ATOM 361 N GLU 25 -18.958 31.426 10.833 1.00 43.14 ATOM 362 HN GLU 25 -18.395 32.234 10.784 1.00 37.62 ATOM 363 CA GLU 25 -18.479 30.285 11.604 1.00 74.44 ATOM 364 HA GLU 25 -18.264 29.483 10.910 1.00 23.11 ATOM 365 CB GLU 25 -17.206 30.654 12.368 1.00 55.41 ATOM 366 HB1 GLU 25 -17.128 30.034 13.256 1.00 37.62 ATOM 367 HB2 GLU 25 -17.263 31.690 12.673 1.00 22.55 ATOM 368 CG GLU 25 -15.935 30.469 11.557 1.00 4.54 ATOM 369 HG1 GLU 25 -15.915 31.207 10.769 1.00 37.62 ATOM 370 HG2 GLU 25 -15.935 29.479 11.122 1.00 4.42 ATOM 371 CD GLU 25 -14.681 30.621 12.397 1.00 62.32 ATOM 372 OE1 GLU 25 -14.237 29.615 12.988 1.00 33.44 ATOM 373 OE2 GLU 25 -14.143 31.746 12.461 1.00 12.25 ATOM 374 C GLU 25 -19.549 29.800 12.579 1.00 43.33 ATOM 375 O GLU 25 -19.807 28.602 12.688 1.00 73.45 ATOM 376 N ARG 26 -20.166 30.741 13.286 1.00 41.11 ATOM 377 HN ARG 26 -19.907 31.686 13.166 1.00 37.62 ATOM 378 CA ARG 26 -21.206 30.411 14.253 1.00 5.03 ATOM 379 HA ARG 26 -20.752 29.859 15.060 1.00 21.22 ATOM 380 CB ARG 26 -21.840 31.688 14.807 1.00 31.15 ATOM 381 HB1 ARG 26 -22.845 31.464 15.138 1.00 37.62 ATOM 382 HB2 ARG 26 -21.895 32.424 14.021 1.00 61.01 ATOM 383 CG ARG 26 -21.071 32.296 15.969 1.00 30.20 ATOM 384 HG1 ARG 26 -20.163 32.743 15.592 1.00 37.62 ATOM 385 HG2 ARG 26 -20.824 31.519 16.680 1.00 60.52 ATOM 386 CD ARG 26 -21.888 33.363 16.680 1.00 2.32 ATOM 387 HD1 ARG 26 -22.159 34.133 15.970 1.00 37.62 ATOM 388 HD2 ARG 26 -21.273 33.794 17.457 1.00 25.11 ATOM 389 NE ARG 26 -23.102 32.815 17.279 1.00 50.23 ATOM 390 HE ARG 26 -23.351 31.888 17.066 1.00 20.34 ATOM 391 CZ ARG 26 -23.885 33.497 18.107 1.00 14.00 ATOM 392 NH1 ARG 26 -23.583 34.746 18.433 1.00 53.21 ATOM 393 HH11 ARG 26 -22.772 35.199 18.068 1.00 74.20 ATOM 394 HH12 ARG 26 -24.180 35.252 19.060 1.00 64.21 ATOM 395 NH2 ARG 26 -24.974 32.929 18.611 1.00 42.42 ATOM 396 HH21 ARG 26 -25.208 31.985 18.368 1.00 22.12 ATOM 397 HH22 ARG 26 -25.566 33.441 19.236 1.00 15.11 ATOM 398 C ARG 26 -22.279 29.531 13.619 1.00 25.22 ATOM 399 O ARG 26 -22.801 28.616 14.256 1.00 63.40 ATOM 400 N ARG 27 -22.603 29.815 12.362 1.00 64.40 ATOM 401 HN ARG 27 -22.144 30.552 11.898 1.00 37.62 ATOM 402 CA ARG 27 -23.614 29.050 11.643 1.00 53.25 ATOM 403 HA ARG 27 -24.493 28.971 12.266 1.00 51.45 ATOM 404 CB ARG 27 -23.988 29.758 10.339 1.00 1.31 ATOM 405 HB1 ARG 27 -24.791 29.223 9.887 1.00 37.62 ATOM 406 HB2 ARG 27 -23.142 29.754 9.669 1.00 61.50 ATOM 407 CG ARG 27 -24.434 31.198 10.534 1.00 0.24 ATOM 408 HG1 ARG 27 -24.714 31.608 9.575 1.00 37.62 ATOM 409 HG2 ARG 27 -23.618 31.770 10.945 1.00 14.44 ATOM 410 CD ARG 27 -25.625 31.290 11.475 1.00 75.42 ATOM 411 HD1 ARG 27 -25.353 30.891 12.440 1.00 37.62 ATOM 412 HD2 ARG 27 -26.434 30.706 11.058 1.00 63.43 ATOM 413 NE ARG 27 -26.073 32.667 11.659 1.00 0.50 ATOM 414 HE ARG 27 -25.474 33.391 11.361 1.00 62.20 ATOM 415 CZ ARG 27 -27.237 32.995 12.209 1.00 22.13 ATOM 416 NH1 ARG 27 -28.066 32.048 12.628 1.00 43.34 ATOM 417 HH11 ARG 27 -27.839 31.080 12.545 1.00 33.33 ATOM 418 HH12 ARG 27 -28.943 32.306 13.039 1.00 70.43 ATOM 419 NH2 ARG 27 -27.573 34.271 12.343 1.00 53.54 ATOM 420 HH21 ARG 27 -26.951 34.991 12.030 1.00 61.23 ATOM 421 HH22 ARG 27 -28.451 34.520 12.757 1.00 73.24 ATOM 422 C ARG 27 -23.118 27.639 11.343 1.00 71.41 ATOM 423 O ARG 27 -23.896 26.685 11.335 1.00 52.32 ATOM 424 N ALA 28 -21.818 27.514 11.097 1.00 71.24 ATOM 425 HN ALA 28 -21.245 28.312 11.089 1.00 37.62 ATOM 426 CA ALA 28 -21.218 26.219 10.798 1.00 51.40 ATOM 427 HA ALA 28 -21.784 25.757 9.999 1.00 74.23 ATOM 428 CB ALA 28 -19.788 26.400 10.311 1.00 0.40 ATOM 429 HB1 ALA 28 -19.137 26.653 11.136 1.00 15.21 ATOM 430 HB2 ALA 28 -19.775 27.197 9.598 1.00 14.12 ATOM 431 HB3 ALA 28 -19.445 25.489 9.843 1.00 24.20 ATOM 432 C ALA 28 -21.252 25.304 12.017 1.00 0.22 ATOM 433 O ALA 28 -21.851 24.229 11.983 1.00 74.34 ATOM 434 N LEU 29 -20.605 25.737 13.094 1.00 62.43 ATOM 435 HN LEU 29 -20.124 26.594 13.042 1.00 37.62 ATOM 436 CA LEU 29 -20.560 24.955 14.325 1.00 53.31 ATOM 437 HA LEU 29 -20.103 24.001 14.102 1.00 52.14 ATOM 438 CB LEU 29 -19.713 25.673 15.377 1.00 14.13 ATOM 439 HB1 LEU 29 -18.678 25.530 15.095 1.00 37.62 ATOM 440 HB2 LEU 29 -19.858 25.174 16.331 1.00 3.42 ATOM 441 CG LEU 29 -19.974 27.171 15.541 1.00 33.24 ATOM 442 HG LEU 29 -20.704 27.509 14.824 1.00 64.44 ATOM 443 CD1 LEU 29 -20.543 27.466 16.921 1.00 61.42 ATOM 444 HD11 LEU 29 -19.833 27.169 17.681 1.00 54.32 ATOM 445 HD12 LEU 29 -21.465 26.917 17.058 1.00 0.30 ATOM 446 HD13 LEU 29 -20.744 28.525 17.012 1.00 4.21 ATOM 447 CD2 LEU 29 -18.696 27.963 15.309 1.00 53.52 ATOM 448 HD21 LEU 29 -18.901 29.019 15.366 1.00 55.15 ATOM 449 HD22 LEU 29 -18.293 27.730 14.335 1.00 71.30 ATOM 450 HD23 LEU 29 -17.967 27.701 16.064 1.00 44.35 ATOM 451 C LEU 29 -21.965 24.712 14.866 1.00 33.52 ATOM 452 O LEU 29 -22.206 23.737 15.579 1.00 53.44 ATOM 453 N ALA 30 -22.890 25.602 14.521 1.00 5.14 ATOM 454 HN ALA 30 -22.641 26.390 13.988 1.00 37.62 ATOM 455 CA ALA 30 -24.271 25.481 14.969 1.00 14.30 ATOM 456 HA ALA 30 -24.272 25.383 16.048 1.00 33.31 ATOM 457 CB ALA 30 -25.053 26.737 14.614 1.00 50.44 ATOM 458 HB1 ALA 30 -24.891 26.982 13.576 1.00 11.00 ATOM 459 HB2 ALA 30 -24.717 27.553 15.234 1.00 60.31 ATOM 460 HB3 ALA 30 -26.110 26.577 14.786 1.00 34.15 ATOM 461 C ALA 30 -24.939 24.251 14.363 1.00 11.45 ATOM 462 O ALA 30 -25.737 23.581 15.018 1.00 11.42 ATOM 463 N MET 31 -24.608 23.961 13.110 1.00 62.14 ATOM 464 HN MET 31 -23.965 24.530 12.626 1.00 37.62 ATOM 465 CA MET 31 -25.176 22.811 12.416 1.00 21.55 ATOM 466 HA MET 31 -26.084 22.507 12.917 1.00 64.40 ATOM 467 CB MET 31 -25.507 23.174 10.968 1.00 74.33 ATOM 468 HB1 MET 31 -25.870 22.294 10.451 1.00 37.62 ATOM 469 HB2 MET 31 -24.605 23.516 10.481 1.00 75.44 ATOM 470 CG MET 31 -26.554 24.269 10.840 1.00 70.41 ATOM 471 HG1 MET 31 -26.671 24.510 9.797 1.00 37.62 ATOM 472 HG2 MET 31 -26.219 25.143 11.377 1.00 64.20 ATOM 473 SD MET 31 -28.162 23.771 11.485 1.00 33.24 ATOM 474 CE MET 31 -28.737 22.698 10.172 1.00 72.25 ATOM 475 HE1 MET 31 -29.810 22.596 10.235 1.00 11.52 ATOM 476 HE2 MET 31 -28.280 21.730 10.278 1.00 33.24 ATOM 477 HE3 MET 31 -28.471 23.123 9.218 1.00 60.13 ATOM 478 C MET 31 -24.214 21.627 12.449 1.00 73.10 ATOM 479 O MET 31 -24.453 20.602 11.810 1.00 42.02 ATOM 480 N LYS 32 -23.126 21.775 13.197 1.00 32.21 ATOM 481 HN LYS 32 -22.968 22.593 13.688 1.00 37.62 ATOM 482 CA LYS 32 -22.128 20.718 13.314 1.00 12.22 ATOM 483 HA LYS 32 -21.274 21.124 13.834 1.00 31.21 ATOM 484 CB LYS 32 -22.690 19.545 14.120 1.00 31.21 ATOM 485 HB1 LYS 32 -21.889 18.856 14.327 1.00 37.62 ATOM 486 HB2 LYS 32 -23.445 19.040 13.526 1.00 22.43 ATOM 487 CG LYS 32 -23.324 19.959 15.437 1.00 53.35 ATOM 488 HG1 LYS 32 -24.082 20.705 15.242 1.00 37.62 ATOM 489 HG2 LYS 32 -22.564 20.388 16.075 1.00 54.41 ATOM 490 CD LYS 32 -23.984 18.781 16.133 1.00 20.01 ATOM 491 HD1 LYS 32 -24.351 18.073 15.400 1.00 37.62 ATOM 492 HD2 LYS 32 -24.815 19.150 16.716 1.00 12.52 ATOM 493 CE LYS 32 -23.016 18.073 17.068 1.00 24.21 ATOM 494 HE1 LYS 32 -23.590 17.504 17.784 1.00 37.62 ATOM 495 HE2 LYS 32 -22.416 18.803 17.596 1.00 1.52 ATOM 496 NZ LYS 32 -22.115 17.142 16.333 1.00 51.11 ATOM 497 HZ1 LYS 32 -21.728 16.436 16.992 1.00 41.43 ATOM 498 HZ2 LYS 32 -21.323 17.666 15.915 1.00 63.33 ATOM 499 HZ3 LYS 32 -22.628 16.642 15.575 1.00 30.44 ATOM 500 C LYS 32 -21.682 20.236 11.938 1.00 73.15 ATOM 501 O LYS 32 -21.939 19.093 11.557 1.00 4.21 ATOM 502 N ILE 33 -21.013 21.113 11.197 1.00 74.25 ATOM 503 HN ILE 33 -20.826 22.012 11.559 1.00 37.62 ATOM 504 CA ILE 33 -20.530 20.774 9.864 1.00 50.53 ATOM 505 HA ILE 33 -21.257 20.114 9.420 1.00 33.33 ATOM 506 CB ILE 33 -20.411 22.026 8.973 1.00 33.35 ATOM 507 HB ILE 33 -19.678 22.690 9.409 1.00 13.02 ATOM 508 CG1 ILE 33 -21.755 22.754 8.898 1.00 61.22 ATOM 509 HG11 ILE 33 -21.633 23.662 8.324 1.00 37.62 ATOM 510 HG12 ILE 33 -22.086 23.011 9.891 1.00 63.21 ATOM 511 CG2 ILE 33 -19.932 21.642 7.582 1.00 64.23 ATOM 512 HG21 ILE 33 -20.630 20.971 7.115 1.00 60.03 ATOM 513 HG22 ILE 33 -18.981 21.172 7.643 1.00 34.42 ATOM 514 HG23 ILE 33 -19.842 22.533 6.977 1.00 64.12 ATOM 515 CD1 ILE 33 -22.848 21.938 8.243 1.00 0.51 ATOM 516 HD11 ILE 33 -22.596 21.738 7.214 1.00 21.52 ATOM 517 HD12 ILE 33 -23.770 22.500 8.274 1.00 41.33 ATOM 518 HD13 ILE 33 -22.988 21.009 8.769 1.00 1.10 ATOM 519 C ILE 33 -19.173 20.081 9.930 1.00 14.34 ATOM 520 O ILE 33 -18.256 20.523 10.623 1.00 33.32 ATOM 521 N PRO 34 -19.040 18.970 9.192 1.00 31.50 ATOM 522 CA PRO 34 -17.798 18.192 9.148 1.00 1.44 ATOM 523 HA PRO 34 -17.463 17.922 10.140 1.00 63.45 ATOM 524 CB PRO 34 -18.196 16.930 8.380 1.00 32.44 ATOM 525 HB1 PRO 34 -18.482 16.161 9.082 1.00 37.62 ATOM 526 HB2 PRO 34 -17.374 16.573 7.771 1.00 3.11 ATOM 527 CG PRO 34 -19.356 17.345 7.543 1.00 14.45 ATOM 528 HG1 PRO 34 -19.998 16.497 7.361 1.00 37.62 ATOM 529 HG2 PRO 34 -19.011 17.751 6.623 1.00 52.50 ATOM 530 CD PRO 34 -20.092 18.386 8.342 1.00 23.34 ATOM 531 HD1 PRO 34 -20.859 17.922 8.945 1.00 37.62 ATOM 532 HD2 PRO 34 -20.524 19.104 7.682 1.00 42.24 ATOM 533 C PRO 34 -16.679 18.928 8.419 1.00 0.54 ATOM 534 O PRO 34 -15.524 18.900 8.845 1.00 41.44 ATOM 535 N PHE 35 -17.029 19.587 7.320 1.00 42.34 ATOM 536 HN PHE 35 -17.962 19.602 7.057 1.00 37.62 ATOM 537 CA PHE 35 -16.053 20.331 6.531 1.00 32.10 ATOM 538 HA PHE 35 -15.070 19.933 6.750 1.00 73.21 ATOM 539 CB PHE 35 -16.324 20.143 5.037 1.00 63.22 ATOM 540 HB1 PHE 35 -16.068 19.126 4.767 1.00 37.62 ATOM 541 HB2 PHE 35 -15.702 20.816 4.461 1.00 32.14 ATOM 542 CG PHE 35 -17.755 20.385 4.652 1.00 72.24 ATOM 543 CD1 PHE 35 -18.657 19.334 4.589 1.00 4.40 ATOM 544 HD1 PHE 35 -18.322 18.332 4.809 1.00 21.14 ATOM 545 CD2 PHE 35 -18.199 21.663 4.353 1.00 74.33 ATOM 546 HD2 PHE 35 -17.509 22.491 4.397 1.00 24.35 ATOM 547 CE1 PHE 35 -19.974 19.554 4.234 1.00 11.51 ATOM 548 HE1 PHE 35 -20.666 18.726 4.189 1.00 31.55 ATOM 549 CE2 PHE 35 -19.516 21.889 3.998 1.00 60.14 ATOM 550 HE2 PHE 35 -19.852 22.873 3.770 1.00 41.23 ATOM 551 CZ PHE 35 -20.405 20.833 3.939 1.00 4.42 ATOM 552 HZ PHE 35 -21.431 21.005 3.660 1.00 33.33 ATOM 553 C PHE 35 -16.088 21.815 6.883 1.00 45.34 ATOM 554 O PHE 35 -17.090 22.342 7.365 1.00 55.02 ATOM 555 N PRO 36 -14.965 22.507 6.637 1.00 51.24 ATOM 556 CA PRO 36 -14.840 23.940 6.919 1.00 14.23 ATOM 557 HA PRO 36 -15.099 24.163 7.945 1.00 62.31 ATOM 558 CB PRO 36 -13.352 24.218 6.696 1.00 62.43 ATOM 559 HB1 PRO 36 -12.829 24.134 7.637 1.00 37.62 ATOM 560 HB2 PRO 36 -13.201 25.211 6.288 1.00 52.22 ATOM 561 CG PRO 36 -12.908 23.161 5.743 1.00 14.25 ATOM 562 HG1 PRO 36 -11.858 22.952 5.886 1.00 37.62 ATOM 563 HG2 PRO 36 -13.093 23.482 4.742 1.00 54.31 ATOM 564 CD PRO 36 -13.731 21.944 6.063 1.00 74.11 ATOM 565 HD1 PRO 36 -13.219 21.323 6.784 1.00 37.62 ATOM 566 HD2 PRO 36 -13.925 21.391 5.164 1.00 33.43 ATOM 567 C PRO 36 -15.688 24.792 5.981 1.00 41.14 ATOM 568 O PRO 36 -16.020 24.371 4.872 1.00 35.32 ATOM 569 N THR 37 -16.035 25.994 6.431 1.00 70.04 ATOM 570 HN THR 37 -15.715 26.283 7.317 1.00 37.62 ATOM 571 CA THR 37 -16.844 26.905 5.631 1.00 14.03 ATOM 572 HA THR 37 -17.671 26.353 5.227 1.00 23.23 ATOM 573 CB THR 37 -17.410 28.053 6.488 1.00 34.14 ATOM 574 HB THR 37 -18.111 28.619 5.892 1.00 3.55 ATOM 575 OG1 THR 37 -16.351 28.919 6.909 1.00 45.24 ATOM 576 HG1 THR 37 -15.710 28.447 7.456 1.00 53.01 ATOM 577 CG2 THR 37 -18.141 27.509 7.707 1.00 61.01 ATOM 578 HG21 THR 37 -18.576 28.334 8.251 1.00 70.32 ATOM 579 HG22 THR 37 -17.449 26.986 8.348 1.00 1.54 ATOM 580 HG23 THR 37 -18.925 26.834 7.393 1.00 42.30 ATOM 581 C THR 37 -16.035 27.495 4.482 1.00 11.42 ATOM 582 O THR 37 -16.545 27.666 3.375 1.00 41.13 ATOM 583 N ASP 38 -14.772 27.805 4.752 1.00 22.34 ATOM 584 HN ASP 38 -14.421 27.653 5.660 1.00 37.62 ATOM 585 CA ASP 38 -13.891 28.375 3.740 1.00 63.23 ATOM 586 HA ASP 38 -14.292 29.337 3.451 1.00 65.20 ATOM 587 CB ASP 38 -12.485 28.574 4.310 1.00 55.44 ATOM 588 HB1 ASP 38 -11.846 28.998 3.547 1.00 37.62 ATOM 589 HB2 ASP 38 -12.086 27.617 4.616 1.00 42.24 ATOM 590 CG ASP 38 -12.473 29.503 5.508 1.00 52.12 ATOM 591 OD1 ASP 38 -12.038 29.065 6.593 1.00 62.01 ATOM 592 OD2 ASP 38 -12.900 30.668 5.361 1.00 63.34 ATOM 593 C ASP 38 -13.830 27.480 2.506 1.00 74.41 ATOM 594 O ASP 38 -13.729 27.964 1.378 1.00 35.24 ATOM 595 N LYS 39 -13.892 26.171 2.727 1.00 23.12 ATOM 596 HN LYS 39 -13.961 25.835 3.651 1.00 37.62 ATOM 597 CA LYS 39 -13.844 25.207 1.635 1.00 73.35 ATOM 598 HA LYS 39 -12.998 25.441 1.010 1.00 32.02 ATOM 599 CB LYS 39 -13.660 23.790 2.184 1.00 13.44 ATOM 600 HB1 LYS 39 -14.477 23.559 2.853 1.00 37.62 ATOM 601 HB2 LYS 39 -12.733 23.770 2.738 1.00 43.34 ATOM 602 CG LYS 39 -13.601 22.722 1.106 1.00 12.22 ATOM 603 HG1 LYS 39 -13.058 23.103 0.255 1.00 37.62 ATOM 604 HG2 LYS 39 -14.612 22.491 0.815 1.00 11.24 ATOM 605 CD LYS 39 -12.944 21.451 1.616 1.00 21.23 ATOM 606 HD1 LYS 39 -13.580 20.614 1.367 1.00 37.62 ATOM 607 HD2 LYS 39 -12.825 21.497 2.692 1.00 11.41 ATOM 608 CE LYS 39 -11.583 21.231 0.975 1.00 45.03 ATOM 609 HE1 LYS 39 -11.129 22.187 0.740 1.00 37.62 ATOM 610 HE2 LYS 39 -11.717 20.667 0.065 1.00 24.24 ATOM 611 NZ LYS 39 -10.661 20.481 1.872 1.00 2.34 ATOM 612 HZ1 LYS 39 -9.742 20.348 1.404 1.00 53.42 ATOM 613 HZ2 LYS 39 -11.057 19.546 2.099 1.00 11.12 ATOM 614 HZ3 LYS 39 -10.511 21.007 2.758 1.00 53.42 ATOM 615 C LYS 39 -15.114 25.275 0.793 1.00 55.53 ATOM 616 O LYS 39 -15.109 24.920 -0.386 1.00 44.13 ATOM 617 N ILE 40 -16.200 25.736 1.405 1.00 73.52 ATOM 618 HN ILE 40 -16.150 26.000 2.340 1.00 37.62 ATOM 619 CA ILE 40 -17.476 25.853 0.710 1.00 13.01 ATOM 620 HA ILE 40 -17.702 24.895 0.253 1.00 24.45 ATOM 621 CB ILE 40 -18.617 26.203 1.684 1.00 52.33 ATOM 622 HB ILE 40 -18.420 27.172 2.113 1.00 13.33 ATOM 623 CG1 ILE 40 -18.697 25.165 2.805 1.00 73.04 ATOM 624 HG11 ILE 40 -17.745 25.092 3.303 1.00 37.62 ATOM 625 HG12 ILE 40 -18.946 24.204 2.382 1.00 62.41 ATOM 626 CG2 ILE 40 -19.941 26.290 0.939 1.00 40.10 ATOM 627 HG21 ILE 40 -19.829 25.965 -0.081 1.00 24.40 ATOM 628 HG22 ILE 40 -20.269 27.317 0.939 1.00 65.52 ATOM 629 HG23 ILE 40 -20.700 25.689 1.412 1.00 42.33 ATOM 630 CD1 ILE 40 -19.731 25.492 3.859 1.00 54.52 ATOM 631 HD11 ILE 40 -20.718 25.428 3.442 1.00 21.53 ATOM 632 HD12 ILE 40 -19.569 26.496 4.225 1.00 31.20 ATOM 633 HD13 ILE 40 -19.641 24.798 4.680 1.00 32.54 ATOM 634 C ILE 40 -17.412 26.915 -0.383 1.00 24.44 ATOM 635 O ILE 40 -18.023 26.770 -1.441 1.00 60.53 ATOM 636 N VAL 41 -16.665 27.982 -0.119 1.00 42.43 ATOM 637 HN VAL 41 -16.207 28.060 0.750 1.00 37.62 ATOM 638 CA VAL 41 -16.517 29.068 -1.081 1.00 70.03 ATOM 639 HA VAL 41 -17.359 29.048 -1.766 1.00 32.32 ATOM 640 CB VAL 41 -16.510 30.440 -0.382 1.00 53.42 ATOM 641 HB VAL 41 -15.600 30.531 0.198 1.00 1.22 ATOM 642 CG1 VAL 41 -16.533 31.563 -1.408 1.00 61.25 ATOM 643 HG11 VAL 41 -15.615 31.563 -1.974 1.00 2.52 ATOM 644 HG12 VAL 41 -16.631 32.515 -0.903 1.00 44.44 ATOM 645 HG13 VAL 41 -17.371 31.429 -2.079 1.00 42.54 ATOM 646 CG2 VAL 41 -17.688 30.557 0.573 1.00 32.24 ATOM 647 HG21 VAL 41 -17.648 31.512 1.076 1.00 72.45 ATOM 648 HG22 VAL 41 -17.646 29.771 1.313 1.00 45.32 ATOM 649 HG23 VAL 41 -18.609 30.483 0.022 1.00 31.23 ATOM 650 C VAL 41 -15.233 28.915 -1.889 1.00 54.24 ATOM 651 O VAL 41 -15.134 29.403 -3.014 1.00 54.33 ATOM 652 N ASN 42 -14.252 28.234 -1.308 1.00 21.55 ATOM 653 HN ASN 42 -14.376 27.872 -0.402 1.00 37.62 ATOM 654 CA ASN 42 -12.973 28.016 -1.974 1.00 20.02 ATOM 655 HA ASN 42 -12.643 28.960 -2.396 1.00 53.14 ATOM 656 CB ASN 42 -11.930 27.519 -0.971 1.00 21.41 ATOM 657 HB1 ASN 42 -11.189 26.915 -1.483 1.00 37.62 ATOM 658 HB2 ASN 42 -12.403 26.917 -0.223 1.00 51.24 ATOM 659 CG ASN 42 -11.196 28.656 -0.288 1.00 44.42 ATOM 660 OD1 ASN 42 -9.971 28.633 -0.162 1.00 72.33 ATOM 661 ND2 ASN 42 -11.943 29.660 0.157 1.00 62.03 ATOM 662 HD21 ASN 42 -12.912 29.641 0.047 1.00 54.15 ATOM 663 HD22 ASN 42 -11.477 30.404 0.592 1.00 22.14 ATOM 664 C ASN 42 -13.117 27.013 -3.114 1.00 73.31 ATOM 665 O ASN 42 -12.637 27.245 -4.224 1.00 73.25 ATOM 666 N LEU 43 -13.782 25.898 -2.833 1.00 20.52 ATOM 667 HN LEU 43 -14.142 25.765 -1.923 1.00 37.62 ATOM 668 CA LEU 43 -13.991 24.858 -3.835 1.00 20.03 ATOM 669 HA LEU 43 -13.021 24.595 -4.221 1.00 22.23 ATOM 670 CB LEU 43 -14.648 23.633 -3.197 1.00 71.53 ATOM 671 HB1 LEU 43 -15.187 23.081 -3.957 1.00 37.62 ATOM 672 HB2 LEU 43 -15.375 23.983 -2.482 1.00 13.42 ATOM 673 CG LEU 43 -13.706 22.656 -2.492 1.00 41.13 ATOM 674 HG LEU 43 -13.123 23.197 -1.767 1.00 44.03 ATOM 675 CD1 LEU 43 -14.498 21.582 -1.764 1.00 32.50 ATOM 676 HD11 LEU 43 -13.826 20.978 -1.171 1.00 61.23 ATOM 677 HD12 LEU 43 -15.006 20.953 -2.483 1.00 2.15 ATOM 678 HD13 LEU 43 -15.231 22.042 -1.118 1.00 20.33 ATOM 679 CD2 LEU 43 -12.744 22.028 -3.491 1.00 33.04 ATOM 680 HD21 LEU 43 -12.061 21.375 -2.966 1.00 23.34 ATOM 681 HD22 LEU 43 -12.176 22.792 -3.996 1.00 11.52 ATOM 682 HD23 LEU 43 -13.296 21.448 -4.216 1.00 41.24 ATOM 683 C LEU 43 -14.854 25.373 -4.982 1.00 11.11 ATOM 684 O LEU 43 -15.588 26.352 -4.848 1.00 13.32 ATOM 685 N PRO 44 -14.767 24.698 -6.138 1.00 32.24 ATOM 686 CA PRO 44 -15.535 25.067 -7.330 1.00 55.51 ATOM 687 HA PRO 44 -15.389 26.106 -7.590 1.00 61.54 ATOM 688 CB PRO 44 -14.943 24.176 -8.424 1.00 43.13 ATOM 689 HB1 PRO 44 -14.161 24.715 -8.938 1.00 37.62 ATOM 690 HB2 PRO 44 -15.704 23.881 -9.137 1.00 72.01 ATOM 691 CG PRO 44 -14.390 23.000 -7.696 1.00 64.23 ATOM 692 HG1 PRO 44 -13.572 22.567 -8.251 1.00 37.62 ATOM 693 HG2 PRO 44 -15.169 22.296 -7.564 1.00 53.00 ATOM 694 CD PRO 44 -13.913 23.521 -6.369 1.00 3.10 ATOM 695 HD1 PRO 44 -12.871 23.801 -6.423 1.00 37.62 ATOM 696 HD2 PRO 44 -14.063 22.777 -5.629 1.00 61.15 ATOM 697 C PRO 44 -17.026 24.792 -7.168 1.00 33.42 ATOM 698 O PRO 44 -17.450 24.163 -6.198 1.00 24.23 ATOM 699 N VAL 45 -17.819 25.266 -8.124 1.00 62.40 ATOM 700 HN VAL 45 -17.420 25.768 -8.872 1.00 37.62 ATOM 701 CA VAL 45 -19.263 25.068 -8.088 1.00 0.43 ATOM 702 HA VAL 45 -19.619 25.362 -7.106 1.00 23.22 ATOM 703 CB VAL 45 -19.975 25.938 -9.141 1.00 1.44 ATOM 704 HB VAL 45 -19.645 26.959 -9.018 1.00 42.53 ATOM 705 CG1 VAL 45 -19.606 25.486 -10.545 1.00 74.32 ATOM 706 HG11 VAL 45 -18.532 25.428 -10.647 1.00 44.14 ATOM 707 HG12 VAL 45 -19.986 26.204 -11.256 1.00 54.13 ATOM 708 HG13 VAL 45 -20.040 24.519 -10.757 1.00 63.11 ATOM 709 CG2 VAL 45 -21.482 25.896 -8.936 1.00 23.32 ATOM 710 HG21 VAL 45 -21.952 26.599 -9.608 1.00 34.14 ATOM 711 HG22 VAL 45 -21.720 26.168 -7.917 1.00 43.54 ATOM 712 HG23 VAL 45 -21.859 24.904 -9.140 1.00 3.15 ATOM 713 C VAL 45 -19.624 23.606 -8.324 1.00 51.31 ATOM 714 O VAL 45 -20.682 23.141 -7.899 1.00 62.14 ATOM 715 N ASP 46 -18.738 22.887 -9.004 1.00 35.51 ATOM 716 HN ASP 46 -17.911 23.309 -9.328 1.00 37.62 ATOM 717 CA ASP 46 -18.963 21.475 -9.296 1.00 44.51 ATOM 718 HA ASP 46 -20.005 21.347 -9.570 1.00 31.04 ATOM 719 CB ASP 46 -18.073 21.025 -10.456 1.00 11.20 ATOM 720 HB1 ASP 46 -17.635 20.058 -10.237 1.00 37.62 ATOM 721 HB2 ASP 46 -17.274 21.737 -10.607 1.00 1.40 ATOM 722 CG ASP 46 -18.840 20.895 -11.757 1.00 73.50 ATOM 723 OD1 ASP 46 -18.733 21.806 -12.604 1.00 4.31 ATOM 724 OD2 ASP 46 -19.548 19.880 -11.929 1.00 3.12 ATOM 725 C ASP 46 -18.690 20.616 -8.066 1.00 25.22 ATOM 726 O ASP 46 -19.582 19.932 -7.563 1.00 42.34 ATOM 727 N ASP 47 -17.451 20.654 -7.587 1.00 11.33 ATOM 728 HN ASP 47 -16.783 21.212 -8.041 1.00 37.62 ATOM 729 CA ASP 47 -17.060 19.879 -6.415 1.00 70.22 ATOM 730 HA ASP 47 -17.110 18.831 -6.677 1.00 43.10 ATOM 731 CB ASP 47 -15.628 20.224 -6.003 1.00 70.05 ATOM 732 HB1 ASP 47 -15.377 19.686 -5.097 1.00 37.62 ATOM 733 HB2 ASP 47 -15.559 21.280 -5.813 1.00 2.34 ATOM 734 CG ASP 47 -14.614 19.848 -7.066 1.00 3.13 ATOM 735 OD1 ASP 47 -13.432 20.223 -6.916 1.00 30.31 ATOM 736 OD2 ASP 47 -15.002 19.180 -8.047 1.00 43.12 ATOM 737 C ASP 47 -18.013 20.134 -5.252 1.00 3.45 ATOM 738 O ASP 47 -18.404 19.208 -4.541 1.00 4.33 ATOM 739 N PHE 48 -18.382 21.397 -5.062 1.00 70.12 ATOM 740 HN PHE 48 -18.026 22.102 -5.654 1.00 37.62 ATOM 741 CA PHE 48 -19.287 21.775 -3.983 1.00 73.03 ATOM 742 HA PHE 48 -18.806 21.539 -3.044 1.00 63.20 ATOM 743 CB PHE 48 -19.570 23.278 -4.030 1.00 33.14 ATOM 744 HB1 PHE 48 -19.858 23.548 -5.038 1.00 37.62 ATOM 745 HB2 PHE 48 -18.665 23.811 -3.771 1.00 22.30 ATOM 746 CG PHE 48 -20.653 23.713 -3.084 1.00 2.52 ATOM 747 CD1 PHE 48 -21.880 24.142 -3.564 1.00 62.22 ATOM 748 HD1 PHE 48 -22.059 24.161 -4.630 1.00 12.30 ATOM 749 CD2 PHE 48 -20.443 23.695 -1.714 1.00 51.03 ATOM 750 HD2 PHE 48 -19.491 23.363 -1.323 1.00 75.51 ATOM 751 CE1 PHE 48 -22.878 24.543 -2.697 1.00 32.04 ATOM 752 HE1 PHE 48 -23.830 24.876 -3.084 1.00 3.23 ATOM 753 CE2 PHE 48 -21.438 24.095 -0.842 1.00 21.51 ATOM 754 HE2 PHE 48 -21.253 24.069 0.202 1.00 1.13 ATOM 755 CZ PHE 48 -22.656 24.520 -1.334 1.00 14.23 ATOM 756 HZ PHE 48 -23.431 24.828 -0.654 1.00 52.51 ATOM 757 C PHE 48 -20.597 20.996 -4.074 1.00 5.41 ATOM 758 O PHE 48 -21.046 20.402 -3.095 1.00 72.24 ATOM 759 N ASN 49 -21.203 21.006 -5.256 1.00 51.15 ATOM 760 HN ASN 49 -20.796 21.508 -6.003 1.00 37.62 ATOM 761 CA ASN 49 -22.461 20.302 -5.476 1.00 15.32 ATOM 762 HA ASN 49 -23.221 20.785 -4.877 1.00 23.21 ATOM 763 CB ASN 49 -22.854 20.365 -6.953 1.00 53.22 ATOM 764 HB1 ASN 49 -23.560 19.574 -7.178 1.00 37.62 ATOM 765 HB2 ASN 49 -21.975 20.231 -7.563 1.00 73.52 ATOM 766 CG ASN 49 -23.506 21.684 -7.323 1.00 25.14 ATOM 767 OD1 ASN 49 -24.209 22.290 -6.514 1.00 24.22 ATOM 768 ND2 ASN 49 -23.274 22.135 -8.550 1.00 61.41 ATOM 769 HD21 ASN 49 -22.703 21.608 -9.154 1.00 62.35 ATOM 770 HD22 ASN 49 -23.686 22.986 -8.808 1.00 51.21 ATOM 771 C ASN 49 -22.356 18.848 -5.027 1.00 75.34 ATOM 772 O ASN 49 -23.327 18.266 -4.543 1.00 4.31 ATOM 773 N GLU 50 -21.172 18.267 -5.192 1.00 40.35 ATOM 774 HN GLU 50 -20.431 18.768 -5.604 1.00 37.62 ATOM 775 CA GLU 50 -20.941 16.881 -4.805 1.00 21.33 ATOM 776 HA GLU 50 -21.853 16.317 -4.973 1.00 71.10 ATOM 777 CB GLU 50 -19.822 16.271 -5.652 1.00 74.40 ATOM 778 HB1 GLU 50 -19.496 15.344 -5.192 1.00 37.62 ATOM 779 HB2 GLU 50 -18.989 16.959 -5.679 1.00 3.14 ATOM 780 CG GLU 50 -20.237 15.971 -7.083 1.00 31.54 ATOM 781 HG1 GLU 50 -20.286 16.900 -7.631 1.00 37.62 ATOM 782 HG2 GLU 50 -21.214 15.505 -7.080 1.00 12.05 ATOM 783 CD GLU 50 -19.266 15.044 -7.789 1.00 55.44 ATOM 784 OE1 GLU 50 -19.727 14.058 -8.401 1.00 74.20 ATOM 785 OE2 GLU 50 -18.047 15.306 -7.731 1.00 21.41 ATOM 786 C GLU 50 -20.584 16.782 -3.324 1.00 60.03 ATOM 787 O GLU 50 -20.802 15.750 -2.689 1.00 35.32 ATOM 788 N LEU 51 -20.033 17.862 -2.781 1.00 53.15 ATOM 789 HN LEU 51 -19.836 18.637 -3.339 1.00 37.62 ATOM 790 CA LEU 51 -19.645 17.899 -1.376 1.00 21.42 ATOM 791 HA LEU 51 -18.997 17.058 -1.182 1.00 44.53 ATOM 792 CB LEU 51 -18.873 19.184 -1.073 1.00 13.23 ATOM 793 HB1 LEU 51 -19.523 20.016 -1.304 1.00 37.62 ATOM 794 HB2 LEU 51 -18.024 19.231 -1.744 1.00 34.11 ATOM 795 CG LEU 51 -18.378 19.347 0.365 1.00 60.42 ATOM 796 HG LEU 51 -19.126 19.003 1.059 1.00 21.30 ATOM 797 CD1 LEU 51 -17.124 18.517 0.594 1.00 1.42 ATOM 798 HD11 LEU 51 -16.800 18.624 1.620 1.00 32.42 ATOM 799 HD12 LEU 51 -16.337 18.853 -0.067 1.00 5.12 ATOM 800 HD13 LEU 51 -17.338 17.476 0.396 1.00 53.34 ATOM 801 CD2 LEU 51 -18.114 20.813 0.676 1.00 74.24 ATOM 802 HD21 LEU 51 -19.022 21.382 0.535 1.00 23.13 ATOM 803 HD22 LEU 51 -17.346 21.194 0.017 1.00 61.23 ATOM 804 HD23 LEU 51 -17.788 20.913 1.702 1.00 11.25 ATOM 805 C LEU 51 -20.868 17.801 -0.470 1.00 73.21 ATOM 806 O LEU 51 -20.773 17.352 0.673 1.00 15.43 ATOM 807 N LEU 52 -22.017 18.221 -0.989 1.00 22.13 ATOM 808 HN LEU 52 -22.039 18.593 -1.900 1.00 37.62 ATOM 809 CA LEU 52 -23.261 18.179 -0.228 1.00 22.31 ATOM 810 HA LEU 52 -23.061 18.584 0.739 1.00 74.05 ATOM 811 CB LEU 52 -24.331 19.029 -0.915 1.00 1.03 ATOM 812 HB1 LEU 52 -25.272 18.848 -0.430 1.00 37.62 ATOM 813 HB2 LEU 52 -24.409 18.686 -1.939 1.00 2.35 ATOM 814 CG LEU 52 -24.082 20.538 -0.929 1.00 72.33 ATOM 815 HG LEU 52 -23.078 20.728 -1.280 1.00 1.12 ATOM 816 CD1 LEU 52 -25.048 21.229 -1.880 1.00 23.34 ATOM 817 HD11 LEU 52 -24.830 22.288 -1.910 1.00 2.12 ATOM 818 HD12 LEU 52 -26.062 21.083 -1.544 1.00 13.12 ATOM 819 HD13 LEU 52 -24.937 20.816 -2.873 1.00 74.35 ATOM 820 CD2 LEU 52 -24.209 21.113 0.474 1.00 62.30 ATOM 821 HD21 LEU 52 -24.046 22.182 0.445 1.00 51.30 ATOM 822 HD22 LEU 52 -23.470 20.662 1.119 1.00 1.33 ATOM 823 HD23 LEU 52 -25.198 20.912 0.863 1.00 23.45 ATOM 824 C LEU 52 -23.756 16.744 -0.074 1.00 14.44 ATOM 825 O LEU 52 -24.217 16.348 0.997 1.00 65.14 ATOM 826 N ALA 53 -23.657 15.971 -1.150 1.00 21.45 ATOM 827 HN ALA 53 -23.281 16.340 -1.984 1.00 37.62 ATOM 828 CA ALA 53 -24.091 14.579 -1.132 1.00 40.25 ATOM 829 HA ALA 53 -24.962 14.494 -0.492 1.00 2.51 ATOM 830 CB ALA 53 -24.501 14.137 -2.529 1.00 54.24 ATOM 831 HB1 ALA 53 -25.277 14.792 -2.897 1.00 4.41 ATOM 832 HB2 ALA 53 -24.875 13.123 -2.495 1.00 70.32 ATOM 833 HB3 ALA 53 -23.648 14.185 -3.191 1.00 42.30 ATOM 834 C ALA 53 -22.995 13.669 -0.588 1.00 72.12 ATOM 835 O ALA 53 -23.272 12.578 -0.090 1.00 33.21 ATOM 836 N ARG 54 -21.751 14.124 -0.688 1.00 4.24 ATOM 837 HN ARG 54 -21.582 14.997 -1.109 1.00 37.62 ATOM 838 CA ARG 54 -20.613 13.349 -0.207 1.00 10.43 ATOM 839 HA ARG 54 -20.662 12.363 -0.655 1.00 10.33 ATOM 840 CB ARG 54 -19.301 14.025 -0.611 1.00 13.03 ATOM 841 HB1 ARG 54 -18.552 13.840 0.153 1.00 37.62 ATOM 842 HB2 ARG 54 -19.457 15.088 -0.686 1.00 14.41 ATOM 843 CG ARG 54 -18.745 13.531 -1.936 1.00 24.11 ATOM 844 HG1 ARG 54 -19.402 13.832 -2.734 1.00 37.62 ATOM 845 HG2 ARG 54 -18.683 12.452 -1.911 1.00 24.43 ATOM 846 CD ARG 54 -17.355 14.089 -2.199 1.00 41.32 ATOM 847 HD1 ARG 54 -16.723 13.813 -1.365 1.00 37.62 ATOM 848 HD2 ARG 54 -17.417 15.166 -2.265 1.00 22.22 ATOM 849 NE ARG 54 -16.781 13.569 -3.437 1.00 74.43 ATOM 850 HE ARG 54 -17.398 13.199 -4.111 1.00 4.54 ATOM 851 CZ ARG 54 -15.480 13.575 -3.704 1.00 51.22 ATOM 852 NH1 ARG 54 -14.622 14.072 -2.824 1.00 51.42 ATOM 853 HH11 ARG 54 -14.924 14.452 -1.954 1.00 63.12 ATOM 854 HH12 ARG 54 -13.642 14.067 -3.035 1.00 44.11 ATOM 855 NH2 ARG 54 -15.035 13.083 -4.853 1.00 42.23 ATOM 856 HH21 ARG 54 -15.678 12.706 -5.522 1.00 3.30 ATOM 857 HH22 ARG 54 -14.054 13.087 -5.057 1.00 64.32 ATOM 858 C ARG 54 -20.668 13.187 1.309 1.00 20.35 ATOM 859 O ARG 54 -20.338 12.127 1.843 1.00 42.23 ATOM 860 N TYR 55 -21.086 14.243 1.998 1.00 73.03 ATOM 861 HN TYR 55 -21.339 15.070 1.526 1.00 37.62 ATOM 862 CA TYR 55 -21.182 14.219 3.452 1.00 24.54 ATOM 863 HA TYR 55 -20.612 13.372 3.815 1.00 44.31 ATOM 864 CB TYR 55 -20.588 15.498 4.045 1.00 64.51 ATOM 865 HB1 TYR 55 -20.939 15.636 5.060 1.00 37.62 ATOM 866 HB2 TYR 55 -20.921 16.342 3.454 1.00 73.31 ATOM 867 CG TYR 55 -19.076 15.512 4.061 1.00 22.14 ATOM 868 CD1 TYR 55 -18.371 15.253 5.231 1.00 74.15 ATOM 869 HD1 TYR 55 -18.915 15.034 6.138 1.00 42.43 ATOM 870 CD2 TYR 55 -18.352 15.784 2.907 1.00 63.41 ATOM 871 HD2 TYR 55 -18.881 15.988 1.986 1.00 50.22 ATOM 872 CE1 TYR 55 -16.990 15.266 5.250 1.00 32.21 ATOM 873 HE1 TYR 55 -16.461 15.062 6.169 1.00 24.42 ATOM 874 CE2 TYR 55 -16.970 15.797 2.917 1.00 52.22 ATOM 875 HE2 TYR 55 -16.426 16.010 2.009 1.00 23.34 ATOM 876 CZ TYR 55 -16.294 15.538 4.091 1.00 52.21 ATOM 877 OH TYR 55 -14.918 15.551 4.106 1.00 72.41 ATOM 878 HH TYR 55 -14.583 14.651 4.172 1.00 44.45 ATOM 879 C TYR 55 -22.632 14.063 3.901 1.00 65.41 ATOM 880 O TYR 55 -23.572 14.376 3.170 1.00 25.40 ATOM 881 N PRO 56 -22.818 13.567 5.133 1.00 14.02 ATOM 882 CA PRO 56 -24.150 13.359 5.709 1.00 73.20 ATOM 883 HA PRO 56 -24.774 12.762 5.059 1.00 72.21 ATOM 884 CB PRO 56 -23.863 12.584 6.998 1.00 45.34 ATOM 885 HB1 PRO 56 -23.935 11.526 6.796 1.00 37.62 ATOM 886 HB2 PRO 56 -24.564 12.844 7.781 1.00 53.30 ATOM 887 CG PRO 56 -22.467 12.958 7.361 1.00 42.15 ATOM 888 HG1 PRO 56 -22.005 12.157 7.919 1.00 37.62 ATOM 889 HG2 PRO 56 -22.470 13.868 7.943 1.00 4.32 ATOM 890 CD PRO 56 -21.744 13.172 6.059 1.00 1.45 ATOM 891 HD1 PRO 56 -21.274 12.255 5.735 1.00 37.62 ATOM 892 HD2 PRO 56 -21.011 13.947 6.177 1.00 53.44 ATOM 893 C PRO 56 -24.858 14.672 6.024 1.00 43.43 ATOM 894 O PRO 56 -24.900 15.106 7.176 1.00 42.32 ATOM 895 N LEU 57 -25.413 15.302 4.994 1.00 63.42 ATOM 896 HN LEU 57 -25.358 14.907 4.093 1.00 37.62 ATOM 897 CA LEU 57 -26.120 16.567 5.161 1.00 64.33 ATOM 898 HA LEU 57 -25.963 16.926 6.164 1.00 44.42 ATOM 899 CB LEU 57 -25.566 17.614 4.193 1.00 54.21 ATOM 900 HB1 LEU 57 -26.013 18.569 4.435 1.00 37.62 ATOM 901 HB2 LEU 57 -25.859 17.334 3.193 1.00 70.43 ATOM 902 CG LEU 57 -24.046 17.778 4.178 1.00 32.01 ATOM 903 HG LEU 57 -23.597 16.875 3.791 1.00 62.05 ATOM 904 CD1 LEU 57 -23.642 18.929 3.270 1.00 71.22 ATOM 905 HD11 LEU 57 -23.931 19.866 3.720 1.00 3.32 ATOM 906 HD12 LEU 57 -24.141 18.830 2.320 1.00 21.14 ATOM 907 HD13 LEU 57 -22.574 18.915 3.120 1.00 70.04 ATOM 908 CD2 LEU 57 -23.520 17.999 5.589 1.00 41.23 ATOM 909 HD21 LEU 57 -22.451 18.161 5.556 1.00 12.33 ATOM 910 HD22 LEU 57 -23.722 17.135 6.199 1.00 54.13 ATOM 911 HD23 LEU 57 -23.997 18.866 6.025 1.00 32.31 ATOM 912 C LEU 57 -27.617 16.388 4.933 1.00 72.11 ATOM 913 O LEU 57 -28.038 15.756 3.963 1.00 32.24 ATOM 914 N THR 58 -28.419 16.951 5.832 1.00 62.21 ATOM 915 HN THR 58 -28.031 17.425 6.601 1.00 37.62 ATOM 916 CA THR 58 -29.869 16.855 5.729 1.00 74.22 ATOM 917 HA THR 58 -30.126 15.993 5.119 1.00 15.24 ATOM 918 CB THR 58 -30.520 16.677 7.113 1.00 33.45 ATOM 919 HB THR 58 -31.555 16.996 7.076 1.00 12.42 ATOM 920 OG1 THR 58 -29.830 17.470 8.085 1.00 23.22 ATOM 921 HG1 THR 58 -30.419 17.669 8.818 1.00 0.42 ATOM 922 CG2 THR 58 -30.500 15.216 7.537 1.00 72.40 ATOM 923 HG21 THR 58 -31.048 14.622 6.819 1.00 13.50 ATOM 924 HG22 THR 58 -30.962 15.119 8.509 1.00 55.11 ATOM 925 HG23 THR 58 -29.478 14.867 7.589 1.00 70.24 ATOM 926 C THR 58 -30.456 18.092 5.059 1.00 12.25 ATOM 927 O THR 58 -29.748 19.065 4.804 1.00 45.10 ATOM 928 N GLU 59 -31.755 18.048 4.779 1.00 62.03 ATOM 929 HN GLU 59 -32.270 17.237 5.005 1.00 37.62 ATOM 930 CA GLU 59 -32.436 19.167 4.139 1.00 42.25 ATOM 931 HA GLU 59 -31.993 19.313 3.162 1.00 33.30 ATOM 932 CB GLU 59 -33.927 18.862 3.978 1.00 24.23 ATOM 933 HB1 GLU 59 -34.464 19.798 3.857 1.00 37.62 ATOM 934 HB2 GLU 59 -34.284 18.370 4.872 1.00 72.12 ATOM 935 CG GLU 59 -34.241 17.972 2.788 1.00 60.24 ATOM 936 HG1 GLU 59 -34.075 16.943 3.072 1.00 37.62 ATOM 937 HG2 GLU 59 -33.586 18.228 1.965 1.00 31.12 ATOM 938 CD GLU 59 -35.674 18.116 2.314 1.00 51.35 ATOM 939 OE1 GLU 59 -36.482 18.726 3.046 1.00 62.24 ATOM 940 OE2 GLU 59 -35.988 17.620 1.212 1.00 40.14 ATOM 941 C GLU 59 -32.252 20.449 4.945 1.00 0.43 ATOM 942 O GLU 59 -32.325 21.552 4.403 1.00 12.35 ATOM 943 N SER 60 -32.013 20.295 6.244 1.00 54.52 ATOM 944 HN SER 60 -32.009 19.398 6.645 1.00 37.62 ATOM 945 CA SER 60 -31.823 21.440 7.127 1.00 14.11 ATOM 946 HA SER 60 -32.460 22.249 6.788 1.00 55.53 ATOM 947 CB SER 60 -32.221 21.078 8.559 1.00 32.42 ATOM 948 HB1 SER 60 -32.309 21.981 9.145 1.00 37.62 ATOM 949 HB2 SER 60 -31.470 20.435 8.999 1.00 11.30 ATOM 950 OG SER 60 -33.463 20.395 8.586 1.00 24.33 ATOM 951 HG SER 60 -33.682 20.163 9.492 1.00 32.45 ATOM 952 C SER 60 -30.374 21.917 7.095 1.00 74.52 ATOM 953 O SER 60 -30.090 23.087 7.346 1.00 42.10 ATOM 954 N GLN 61 -29.464 21.000 6.784 1.00 64.12 ATOM 955 HN GLN 61 -29.737 20.077 6.618 1.00 37.62 ATOM 956 CA GLN 61 -28.044 21.326 6.719 1.00 22.23 ATOM 957 HA GLN 61 -27.823 22.075 7.469 1.00 14.21 ATOM 958 CB GLN 61 -27.200 20.083 7.009 1.00 51.12 ATOM 959 HB1 GLN 61 -26.155 20.325 6.849 1.00 37.62 ATOM 960 HB2 GLN 61 -27.484 19.308 6.323 1.00 51.10 ATOM 961 CG GLN 61 -27.352 19.562 8.429 1.00 43.12 ATOM 962 HG1 GLN 61 -28.346 19.177 8.554 1.00 37.62 ATOM 963 HG2 GLN 61 -27.203 20.382 9.114 1.00 50.10 ATOM 964 CD GLN 61 -26.355 18.468 8.759 1.00 52.34 ATOM 965 OE1 GLN 61 -26.528 17.315 8.363 1.00 33.03 ATOM 966 NE2 GLN 61 -25.303 18.825 9.487 1.00 55.04 ATOM 967 HE21 GLN 61 -25.214 19.761 9.776 1.00 22.13 ATOM 968 HE22 GLN 61 -24.648 18.131 9.710 1.00 12.21 ATOM 969 C GLN 61 -27.678 21.896 5.353 1.00 2.52 ATOM 970 O GLN 61 -27.071 22.964 5.257 1.00 41.01 ATOM 971 N LEU 62 -28.050 21.179 4.299 1.00 62.10 ATOM 972 HN LEU 62 -28.534 20.334 4.441 1.00 37.62 ATOM 973 CA LEU 62 -27.760 21.614 2.937 1.00 74.32 ATOM 974 HA LEU 62 -26.688 21.581 2.798 1.00 13.22 ATOM 975 CB LEU 62 -28.429 20.677 1.929 1.00 43.23 ATOM 976 HB1 LEU 62 -28.547 21.223 0.997 1.00 37.62 ATOM 977 HB2 LEU 62 -29.422 20.441 2.294 1.00 15.13 ATOM 978 CG LEU 62 -27.683 19.377 1.624 1.00 55.33 ATOM 979 HG LEU 62 -26.631 19.498 1.851 1.00 52.01 ATOM 980 CD1 LEU 62 -28.215 18.242 2.485 1.00 13.41 ATOM 981 HD11 LEU 62 -27.729 17.319 2.208 1.00 31.00 ATOM 982 HD12 LEU 62 -29.283 18.141 2.344 1.00 41.24 ATOM 983 HD13 LEU 62 -28.008 18.465 3.507 1.00 70.33 ATOM 984 CD2 LEU 62 -27.801 19.029 0.147 1.00 32.11 ATOM 985 HD21 LEU 62 -27.273 18.107 -0.054 1.00 4.43 ATOM 986 HD22 LEU 62 -27.373 19.820 -0.446 1.00 3.34 ATOM 987 HD23 LEU 62 -28.843 18.908 -0.117 1.00 4.40 ATOM 988 C LEU 62 -28.235 23.046 2.710 1.00 64.41 ATOM 989 O LEU 62 -27.590 23.819 2.002 1.00 22.41 ATOM 990 N ALA 63 -29.365 23.392 3.317 1.00 3.42 ATOM 991 HN ALA 63 -29.854 22.726 3.855 1.00 37.62 ATOM 992 CA ALA 63 -29.923 24.732 3.185 1.00 41.41 ATOM 993 HA ALA 63 -30.122 24.913 2.137 1.00 14.23 ATOM 994 CB ALA 63 -31.242 24.831 3.936 1.00 11.15 ATOM 995 HB1 ALA 63 -31.675 25.810 3.784 1.00 53.45 ATOM 996 HB2 ALA 63 -31.073 24.671 4.992 1.00 33.32 ATOM 997 HB3 ALA 63 -31.922 24.078 3.565 1.00 72.34 ATOM 998 C ALA 63 -28.944 25.787 3.690 1.00 51.13 ATOM 999 O ALA 63 -28.901 26.906 3.175 1.00 21.45 ATOM 1000 N LEU 64 -28.160 25.425 4.699 1.00 31.11 ATOM 1001 HN LEU 64 -28.243 24.526 5.084 1.00 37.62 ATOM 1002 CA LEU 64 -27.181 26.341 5.274 1.00 33.14 ATOM 1003 HA LEU 64 -27.597 27.342 5.267 1.00 2.23 ATOM 1004 CB LEU 64 -26.879 25.952 6.722 1.00 22.45 ATOM 1005 HB1 LEU 64 -26.575 24.915 6.711 1.00 37.62 ATOM 1006 HB2 LEU 64 -27.807 26.014 7.279 1.00 53.42 ATOM 1007 CG LEU 64 -25.809 26.783 7.432 1.00 52.14 ATOM 1008 HG LEU 64 -25.179 27.286 6.713 1.00 30.13 ATOM 1009 CD1 LEU 64 -26.453 27.861 8.290 1.00 70.12 ATOM 1010 HD11 LEU 64 -26.831 27.435 9.210 1.00 3.02 ATOM 1011 HD12 LEU 64 -27.270 28.323 7.749 1.00 44.14 ATOM 1012 HD13 LEU 64 -25.722 28.609 8.512 1.00 61.24 ATOM 1013 CD2 LEU 64 -24.913 25.890 8.277 1.00 31.02 ATOM 1014 HD21 LEU 64 -24.981 24.856 7.965 1.00 41.04 ATOM 1015 HD22 LEU 64 -25.179 25.965 9.318 1.00 53.54 ATOM 1016 HD23 LEU 64 -23.891 26.218 8.161 1.00 54.11 ATOM 1017 C LEU 64 -25.893 26.345 4.457 1.00 13.13 ATOM 1018 O LEU 64 -25.368 27.404 4.111 1.00 35.43 ATOM 1019 N VAL 65 -25.390 25.154 4.150 1.00 64.11 ATOM 1020 HN VAL 65 -25.874 24.349 4.439 1.00 37.62 ATOM 1021 CA VAL 65 -24.165 25.020 3.370 1.00 21.23 ATOM 1022 HA VAL 65 -23.357 25.450 3.945 1.00 74.33 ATOM 1023 CB VAL 65 -23.834 23.541 3.095 1.00 24.15 ATOM 1024 HB VAL 65 -24.580 23.136 2.423 1.00 22.13 ATOM 1025 CG1 VAL 65 -22.474 23.414 2.426 1.00 24.53 ATOM 1026 HG11 VAL 65 -21.708 23.738 3.102 1.00 20.23 ATOM 1027 HG12 VAL 65 -22.451 24.009 1.548 1.00 34.11 ATOM 1028 HG13 VAL 65 -22.300 22.382 2.159 1.00 60.02 ATOM 1029 CG2 VAL 65 -23.880 22.736 4.386 1.00 44.42 ATOM 1030 HG21 VAL 65 -24.898 22.503 4.627 1.00 12.31 ATOM 1031 HG22 VAL 65 -23.440 23.302 5.196 1.00 54.13 ATOM 1032 HG23 VAL 65 -23.332 21.815 4.267 1.00 1.30 ATOM 1033 C VAL 65 -24.275 25.760 2.042 1.00 72.20 ATOM 1034 O VAL 65 -23.284 26.269 1.519 1.00 24.21 ATOM 1035 N ARG 66 -25.488 25.816 1.501 1.00 1.12 ATOM 1036 HN ARG 66 -26.246 25.373 1.947 1.00 37.62 ATOM 1037 CA ARG 66 -25.728 26.494 0.233 1.00 71.41 ATOM 1038 HA ARG 66 -24.928 26.245 -0.450 1.00 55.25 ATOM 1039 CB ARG 66 -27.058 26.037 -0.370 1.00 63.41 ATOM 1040 HB1 ARG 66 -27.393 26.775 -1.093 1.00 37.62 ATOM 1041 HB2 ARG 66 -27.795 25.962 0.417 1.00 41.24 ATOM 1042 CG ARG 66 -26.977 24.692 -1.074 1.00 31.21 ATOM 1043 HG1 ARG 66 -26.852 23.915 -0.336 1.00 37.62 ATOM 1044 HG2 ARG 66 -26.129 24.693 -1.745 1.00 15.23 ATOM 1045 CD ARG 66 -28.234 24.410 -1.882 1.00 32.43 ATOM 1046 HD1 ARG 66 -28.373 25.191 -2.617 1.00 37.62 ATOM 1047 HD2 ARG 66 -29.080 24.410 -1.206 1.00 22.12 ATOM 1048 NE ARG 66 -28.178 23.110 -2.545 1.00 70.23 ATOM 1049 HE ARG 66 -28.665 22.368 -2.124 1.00 64.52 ATOM 1050 CZ ARG 66 -27.511 22.889 -3.673 1.00 34.53 ATOM 1051 NH1 ARG 66 -26.848 23.875 -4.259 1.00 4.21 ATOM 1052 HH11 ARG 66 -26.828 24.794 -3.875 1.00 41.23 ATOM 1053 HH12 ARG 66 -26.351 23.697 -5.111 1.00 74.42 ATOM 1054 NH2 ARG 66 -27.508 21.678 -4.216 1.00 24.11 ATOM 1055 HH21 ARG 66 -28.008 20.928 -3.778 1.00 23.52 ATOM 1056 HH22 ARG 66 -27.006 21.508 -5.067 1.00 42.43 ATOM 1057 C ARG 66 -25.735 28.008 0.418 1.00 14.24 ATOM 1058 O ARG 66 -25.301 28.753 -0.460 1.00 41.31 ATOM 1059 N ASP 67 -26.232 28.456 1.566 1.00 21.13 ATOM 1060 HN ASP 67 -26.584 27.817 2.228 1.00 37.62 ATOM 1061 CA ASP 67 -26.295 29.881 1.868 1.00 54.34 ATOM 1062 HA ASP 67 -26.777 30.377 1.032 1.00 33.32 ATOM 1063 CB ASP 67 -27.119 30.120 3.134 1.00 55.42 ATOM 1064 HB1 ASP 67 -26.521 29.906 4.011 1.00 37.62 ATOM 1065 HB2 ASP 67 -27.976 29.461 3.126 1.00 1.13 ATOM 1066 CG ASP 67 -27.628 31.545 3.233 1.00 4.33 ATOM 1067 OD1 ASP 67 -28.707 31.750 3.827 1.00 61.40 ATOM 1068 OD2 ASP 67 -26.947 32.456 2.717 1.00 65.02 ATOM 1069 C ASP 67 -24.896 30.463 2.039 1.00 2.43 ATOM 1070 O ASP 67 -24.572 31.504 1.467 1.00 4.41 ATOM 1071 N ILE 68 -24.072 29.785 2.831 1.00 43.51 ATOM 1072 HN ILE 68 -24.386 28.946 3.238 1.00 37.62 ATOM 1073 CA ILE 68 -22.707 30.236 3.077 1.00 34.45 ATOM 1074 HA ILE 68 -22.755 31.160 3.626 1.00 65.02 ATOM 1075 CB ILE 68 -21.920 29.213 3.918 1.00 73.22 ATOM 1076 HB ILE 68 -21.879 28.283 3.364 1.00 4.23 ATOM 1077 CG1 ILE 68 -22.621 28.973 5.257 1.00 44.40 ATOM 1078 HG11 ILE 68 -23.688 28.917 5.118 1.00 37.62 ATOM 1079 HG12 ILE 68 -22.411 29.786 5.929 1.00 32.50 ATOM 1080 CG2 ILE 68 -20.494 29.694 4.138 1.00 10.13 ATOM 1081 HG21 ILE 68 -19.951 29.681 3.206 1.00 15.35 ATOM 1082 HG22 ILE 68 -19.994 29.040 4.839 1.00 51.52 ATOM 1083 HG23 ILE 68 -20.502 30.700 4.536 1.00 11.54 ATOM 1084 CD1 ILE 68 -22.202 27.688 5.936 1.00 14.24 ATOM 1085 HD11 ILE 68 -21.148 27.728 6.165 1.00 4.12 ATOM 1086 HD12 ILE 68 -22.396 26.853 5.282 1.00 5.44 ATOM 1087 HD13 ILE 68 -22.763 27.567 6.850 1.00 62.22 ATOM 1088 C ILE 68 -21.964 30.481 1.769 1.00 74.34 ATOM 1089 O ILE 68 -21.170 31.415 1.659 1.00 13.24 ATOM 1090 N ARG 69 -22.229 29.636 0.777 1.00 11.22 ATOM 1091 HN ARG 69 -22.869 28.899 0.921 1.00 37.62 ATOM 1092 CA ARG 69 -21.586 29.761 -0.525 1.00 51.43 ATOM 1093 HA ARG 69 -20.525 29.871 -0.369 1.00 2.21 ATOM 1094 CB ARG 69 -21.830 28.504 -1.361 1.00 62.51 ATOM 1095 HB1 ARG 69 -22.893 28.415 -1.550 1.00 37.62 ATOM 1096 HB2 ARG 69 -21.506 27.645 -0.802 1.00 72.11 ATOM 1097 CG ARG 69 -21.099 28.507 -2.694 1.00 22.43 ATOM 1098 HG1 ARG 69 -20.040 28.397 -2.509 1.00 37.62 ATOM 1099 HG2 ARG 69 -21.279 29.442 -3.206 1.00 45.44 ATOM 1100 CD ARG 69 -21.561 27.365 -3.585 1.00 61.33 ATOM 1101 HD1 ARG 69 -22.541 27.032 -3.278 1.00 37.62 ATOM 1102 HD2 ARG 69 -20.856 26.559 -3.479 1.00 52.13 ATOM 1103 NE ARG 69 -21.608 27.754 -4.992 1.00 74.52 ATOM 1104 HE ARG 69 -20.882 27.436 -5.572 1.00 31.11 ATOM 1105 CZ ARG 69 -22.571 28.505 -5.515 1.00 0.23 ATOM 1106 NH1 ARG 69 -23.560 28.947 -4.751 1.00 33.14 ATOM 1107 HH11 ARG 69 -23.608 28.733 -3.779 1.00 70.54 ATOM 1108 HH12 ARG 69 -24.282 29.512 -5.157 1.00 73.23 ATOM 1109 NH2 ARG 69 -22.545 28.817 -6.804 1.00 62.23 ATOM 1110 HH21 ARG 69 -21.808 28.482 -7.389 1.00 75.24 ATOM 1111 HH22 ARG 69 -23.266 29.391 -7.197 1.00 4.34 ATOM 1112 C ARG 69 -22.102 30.988 -1.271 1.00 14.52 ATOM 1113 O ARG 69 -21.325 31.752 -1.843 1.00 5.43 ATOM 1114 N ARG 70 -23.419 31.170 -1.260 1.00 41.35 ATOM 1115 HN ARG 70 -23.995 30.521 -0.789 1.00 37.62 ATOM 1116 CA ARG 70 -24.039 32.303 -1.937 1.00 11.11 ATOM 1117 HA ARG 70 -23.748 32.269 -2.977 1.00 33.51 ATOM 1118 CB ARG 70 -25.563 32.207 -1.845 1.00 11.42 ATOM 1119 HB1 ARG 70 -25.837 32.051 -0.812 1.00 37.62 ATOM 1120 HB2 ARG 70 -25.897 31.359 -2.426 1.00 63.53 ATOM 1121 CG ARG 70 -26.283 33.450 -2.343 1.00 4.23 ATOM 1122 HG1 ARG 70 -25.957 34.316 -1.791 1.00 37.62 ATOM 1123 HG2 ARG 70 -27.343 33.313 -2.189 1.00 73.52 ATOM 1124 CD ARG 70 -26.040 33.678 -3.827 1.00 24.25 ATOM 1125 HD1 ARG 70 -26.521 32.888 -4.384 1.00 37.62 ATOM 1126 HD2 ARG 70 -24.977 33.655 -4.015 1.00 32.10 ATOM 1127 NE ARG 70 -26.565 34.964 -4.276 1.00 74.23 ATOM 1128 HE ARG 70 -27.210 35.428 -3.693 1.00 11.05 ATOM 1129 CZ ARG 70 -26.225 35.535 -5.426 1.00 52.32 ATOM 1130 NH1 ARG 70 -25.364 34.937 -6.238 1.00 54.52 ATOM 1131 HH11 ARG 70 -24.957 34.055 -6.013 1.00 64.03 ATOM 1132 HH12 ARG 70 -25.112 35.379 -7.102 1.00 43.41 ATOM 1133 NH2 ARG 70 -26.747 36.707 -5.766 1.00 3.20 ATOM 1134 HH21 ARG 70 -27.398 37.164 -5.157 1.00 72.24 ATOM 1135 HH22 ARG 70 -26.492 37.140 -6.633 1.00 40.43 ATOM 1136 C ARG 70 -23.564 33.622 -1.335 1.00 13.32 ATOM 1137 O ARG 70 -23.131 34.523 -2.053 1.00 5.31 ATOM 1138 N ARG 71 -23.650 33.728 -0.013 1.00 11.32 ATOM 1139 HN ARG 71 -24.010 32.970 0.504 1.00 37.62 ATOM 1140 CA ARG 71 -23.231 34.938 0.686 1.00 71.55 ATOM 1141 HA ARG 71 -23.661 35.793 0.178 1.00 31.31 ATOM 1142 CB ARG 71 -23.740 34.921 2.128 1.00 1.21 ATOM 1143 HB1 ARG 71 -24.821 34.889 2.104 1.00 37.62 ATOM 1144 HB2 ARG 71 -23.438 35.843 2.608 1.00 55.21 ATOM 1145 CG ARG 71 -23.252 33.727 2.932 1.00 13.25 ATOM 1146 HG1 ARG 71 -22.529 33.163 2.382 1.00 37.62 ATOM 1147 HG2 ARG 71 -24.102 33.098 3.143 1.00 30.32 ATOM 1148 CD ARG 71 -22.637 34.160 4.254 1.00 31.32 ATOM 1149 HD1 ARG 71 -22.918 35.185 4.463 1.00 37.62 ATOM 1150 HD2 ARG 71 -21.562 34.097 4.170 1.00 20.41 ATOM 1151 NE ARG 71 -23.071 33.314 5.363 1.00 73.12 ATOM 1152 HE ARG 71 -23.458 32.435 5.150 1.00 20.34 ATOM 1153 CZ ARG 71 -22.972 33.667 6.639 1.00 14.44 ATOM 1154 NH1 ARG 71 -22.457 34.844 6.967 1.00 53.52 ATOM 1155 HH11 ARG 71 -22.132 35.485 6.277 1.00 11.23 ATOM 1156 HH12 ARG 71 -22.391 35.101 7.934 1.00 71.22 ATOM 1157 NH2 ARG 71 -23.390 32.843 7.592 1.00 64.14 ATOM 1158 HH21 ARG 71 -23.771 31.948 7.352 1.00 63.13 ATOM 1159 HH22 ARG 71 -23.358 33.125 8.551 1.00 63.31 ATOM 1160 C ARG 71 -21.711 35.074 0.672 1.00 34.04 ATOM 1161 O ARG 71 -21.176 36.178 0.763 1.00 32.13 ATOM 1162 N GLY 72 -21.022 33.943 0.559 1.00 25.10 ATOM 1163 HN GLY 72 -21.481 33.079 0.496 1.00 37.62 ATOM 1164 CA GLY 72 -19.571 33.958 0.537 1.00 64.01 ATOM 1165 HA1 GLY 72 -19.217 32.959 0.732 1.00 37.62 ATOM 1166 HA2 GLY 72 -19.201 34.614 1.315 1.00 5.23 ATOM 1167 C GLY 72 -19.016 34.415 -0.798 1.00 22.32 ATOM 1168 O GLY 72 -18.098 35.234 -0.850 1.00 72.01 ATOM 1169 N LYS 73 -19.572 33.883 -1.881 1.00 40.00 ATOM 1170 HN LYS 73 -20.299 33.227 -1.774 1.00 37.62 ATOM 1171 CA LYS 73 -19.128 34.240 -3.223 1.00 61.22 ATOM 1172 HA LYS 73 -18.097 33.923 -3.321 1.00 73.43 ATOM 1173 CB LYS 73 -19.986 33.529 -4.272 1.00 51.24 ATOM 1174 HB1 LYS 73 -20.709 34.223 -4.683 1.00 37.62 ATOM 1175 HB2 LYS 73 -20.529 32.720 -3.812 1.00 33.32 ATOM 1176 CG LYS 73 -19.185 32.963 -5.432 1.00 24.04 ATOM 1177 HG1 LYS 73 -18.352 33.621 -5.647 1.00 37.62 ATOM 1178 HG2 LYS 73 -19.824 32.914 -6.304 1.00 32.23 ATOM 1179 CD LYS 73 -18.645 31.579 -5.113 1.00 73.52 ATOM 1180 HD1 LYS 73 -18.445 31.493 -4.052 1.00 37.62 ATOM 1181 HD2 LYS 73 -17.724 31.435 -5.659 1.00 50.42 ATOM 1182 CE LYS 73 -19.627 30.491 -5.521 1.00 30.42 ATOM 1183 HE1 LYS 73 -20.631 30.782 -5.239 1.00 37.62 ATOM 1184 HE2 LYS 73 -19.364 29.581 -5.002 1.00 41.14 ATOM 1185 NZ LYS 73 -19.589 30.230 -6.986 1.00 64.44 ATOM 1186 HZ1 LYS 73 -19.987 29.297 -7.188 1.00 44.25 ATOM 1187 HZ2 LYS 73 -18.609 30.252 -7.343 1.00 32.23 ATOM 1188 HZ3 LYS 73 -20.146 30.948 -7.491 1.00 52.31 ATOM 1189 C LYS 73 -19.194 35.749 -3.435 1.00 25.01 ATOM 1190 O LYS 73 -18.419 36.311 -4.208 1.00 23.13 ATOM 1191 N ASN 74 -20.123 36.399 -2.742 1.00 3.31 ATOM 1192 HN ASN 74 -20.754 35.899 -2.176 1.00 37.62 ATOM 1193 CA ASN 74 -20.288 37.844 -2.854 1.00 33.02 ATOM 1194 HA ASN 74 -20.634 38.056 -3.857 1.00 10.12 ATOM 1195 CB ASN 74 -21.326 38.339 -1.844 1.00 61.02 ATOM 1196 HB1 ASN 74 -20.879 38.420 -0.861 1.00 37.62 ATOM 1197 HB2 ASN 74 -22.141 37.630 -1.800 1.00 64.33 ATOM 1198 CG ASN 74 -21.903 39.689 -2.223 1.00 40.32 ATOM 1199 OD1 ASN 74 -21.446 40.328 -3.171 1.00 5.43 ATOM 1200 ND2 ASN 74 -22.913 40.130 -1.482 1.00 71.22 ATOM 1201 HD21 ASN 74 -23.238 39.576 -0.736 1.00 13.11 ATOM 1202 HD22 ASN 74 -23.300 41.001 -1.711 1.00 25.54 ATOM 1203 C ASN 74 -18.961 38.563 -2.630 1.00 32.43 ATOM 1204 O ASN 74 -18.719 39.633 -3.189 1.00 35.42 ATOM 1205 N LYS 75 -18.103 37.967 -1.808 1.00 74.34 ATOM 1206 HN LYS 75 -18.361 37.137 -1.346 1.00 37.62 ATOM 1207 CA LYS 75 -16.799 38.547 -1.511 1.00 14.23 ATOM 1208 HA LYS 75 -16.962 39.563 -1.178 1.00 42.42 ATOM 1209 CB LYS 75 -16.105 37.751 -0.404 1.00 3.25 ATOM 1210 HB1 LYS 75 -15.747 36.811 -0.805 1.00 37.62 ATOM 1211 HB2 LYS 75 -16.825 37.539 0.376 1.00 72.35 ATOM 1212 CG LYS 75 -14.928 38.480 0.223 1.00 75.10 ATOM 1213 HG1 LYS 75 -14.204 38.702 -0.549 1.00 37.62 ATOM 1214 HG2 LYS 75 -14.479 37.828 0.960 1.00 71.23 ATOM 1215 CD LYS 75 -15.364 39.778 0.882 1.00 24.24 ATOM 1216 HD1 LYS 75 -16.349 39.653 1.317 1.00 37.62 ATOM 1217 HD2 LYS 75 -15.397 40.555 0.134 1.00 20.51 ATOM 1218 CE LYS 75 -14.397 40.197 1.980 1.00 75.31 ATOM 1219 HE1 LYS 75 -13.550 40.690 1.526 1.00 37.62 ATOM 1220 HE2 LYS 75 -14.057 39.322 2.519 1.00 53.40 ATOM 1221 NZ LYS 75 -15.033 41.129 2.952 1.00 63.00 ATOM 1222 HZ1 LYS 75 -15.851 40.674 3.408 1.00 50.34 ATOM 1223 HZ2 LYS 75 -15.355 41.993 2.468 1.00 64.43 ATOM 1224 HZ3 LYS 75 -14.347 41.396 3.687 1.00 70.42 ATOM 1225 C LYS 75 -15.920 38.579 -2.757 1.00 35.51 ATOM 1226 O LYS 75 -15.166 39.527 -2.973 1.00 21.01 ATOM 1227 N VAL 76 -16.024 37.536 -3.575 1.00 51.11 ATOM 1228 HN VAL 76 -16.640 36.800 -3.354 1.00 37.62 ATOM 1229 CA VAL 76 -15.241 37.446 -4.801 1.00 64.33 ATOM 1230 HA VAL 76 -14.273 37.906 -4.626 1.00 40.14 ATOM 1231 CB VAL 76 -15.005 35.980 -5.210 1.00 72.53 ATOM 1232 HB VAL 76 -15.955 35.538 -5.483 1.00 1.53 ATOM 1233 CG1 VAL 76 -14.082 35.903 -6.417 1.00 2.14 ATOM 1234 HG11 VAL 76 -13.173 36.455 -6.220 1.00 63.14 ATOM 1235 HG12 VAL 76 -14.574 36.317 -7.283 1.00 65.42 ATOM 1236 HG13 VAL 76 -13.833 34.869 -6.619 1.00 43.13 ATOM 1237 CG2 VAL 76 -14.438 35.186 -4.043 1.00 60.21 ATOM 1238 HG21 VAL 76 -15.142 35.185 -3.224 1.00 73.53 ATOM 1239 HG22 VAL 76 -13.509 35.631 -3.717 1.00 20.20 ATOM 1240 HG23 VAL 76 -14.255 34.166 -4.353 1.00 44.33 ATOM 1241 C VAL 76 -15.928 38.178 -5.948 1.00 74.32 ATOM 1242 O VAL 76 -15.276 38.638 -6.884 1.00 43.14 ATOM 1243 N ALA 77 -17.251 38.282 -5.868 1.00 21.31 ATOM 1244 HN ALA 77 -17.730 37.873 -5.111 1.00 37.62 ATOM 1245 CA ALA 77 -18.028 38.960 -6.898 1.00 3.10 ATOM 1246 HA ALA 77 -17.970 38.371 -7.802 1.00 62.00 ATOM 1247 CB ALA 77 -19.489 39.048 -6.484 1.00 53.34 ATOM 1248 HB1 ALA 77 -20.066 39.500 -7.278 1.00 41.31 ATOM 1249 HB2 ALA 77 -19.578 39.646 -5.588 1.00 14.45 ATOM 1250 HB3 ALA 77 -19.866 38.055 -6.290 1.00 32.13 ATOM 1251 C ALA 77 -17.471 40.352 -7.179 1.00 25.54 ATOM 1252 O ALA 77 -17.439 40.798 -8.325 1.00 4.01 ATOM 1253 N ALA 78 -17.033 41.032 -6.125 1.00 1.45 ATOM 1254 HN ALA 78 -17.100 40.633 -5.225 1.00 37.62 ATOM 1255 CA ALA 78 -16.476 42.373 -6.258 1.00 62.43 ATOM 1256 HA ALA 78 -17.261 43.029 -6.608 1.00 52.23 ATOM 1257 CB ALA 78 -16.002 42.885 -4.906 1.00 62.42 ATOM 1258 HB1 ALA 78 -15.224 42.241 -4.523 1.00 0.42 ATOM 1259 HB2 ALA 78 -16.832 42.889 -4.215 1.00 31.15 ATOM 1260 HB3 ALA 78 -15.620 43.891 -5.010 1.00 50.52 ATOM 1261 C ALA 78 -15.331 42.393 -7.265 1.00 44.20 ATOM 1262 O ALA 78 -15.413 43.058 -8.298 1.00 24.34 ATOM 1263 N GLN 79 -14.264 41.662 -6.956 1.00 54.05 ATOM 1264 HN GLN 79 -14.261 41.138 -6.120 1.00 37.62 ATOM 1265 CA GLN 79 -13.102 41.598 -7.835 1.00 13.43 ATOM 1266 HA GLN 79 -12.741 42.605 -7.987 1.00 2.33 ATOM 1267 CB GLN 79 -12.000 40.751 -7.197 1.00 11.15 ATOM 1268 HB1 GLN 79 -11.237 40.535 -7.936 1.00 37.62 ATOM 1269 HB2 GLN 79 -12.429 39.820 -6.856 1.00 62.44 ATOM 1270 CG GLN 79 -11.325 41.423 -6.012 1.00 1.30 ATOM 1271 HG1 GLN 79 -10.567 40.760 -5.623 1.00 37.62 ATOM 1272 HG2 GLN 79 -12.066 41.608 -5.249 1.00 32.42 ATOM 1273 CD GLN 79 -10.673 42.741 -6.382 1.00 61.23 ATOM 1274 OE1 GLN 79 -11.088 43.804 -5.919 1.00 63.24 ATOM 1275 NE2 GLN 79 -9.645 42.678 -7.221 1.00 75.02 ATOM 1276 HE21 GLN 79 -9.356 41.800 -7.560 1.00 2.14 ATOM 1277 HE22 GLN 79 -9.210 43.519 -7.472 1.00 41.22 ATOM 1278 C GLN 79 -13.479 41.022 -9.196 1.00 12.34 ATOM 1279 O GLN 79 -12.935 41.424 -10.223 1.00 3.32 ATOM 1280 N ASN 80 -14.414 40.078 -9.194 1.00 74.24 ATOM 1281 HN ASN 80 -14.820 39.787 -8.344 1.00 37.62 ATOM 1282 CA ASN 80 -14.864 39.445 -10.429 1.00 44.44 ATOM 1283 HA ASN 80 -14.104 39.586 -11.191 1.00 22.31 ATOM 1284 CB ASN 80 -15.066 37.944 -10.214 1.00 12.32 ATOM 1285 HB1 ASN 80 -15.970 37.776 -9.641 1.00 37.62 ATOM 1286 HB2 ASN 80 -14.223 37.557 -9.657 1.00 3.40 ATOM 1287 CG ASN 80 -15.152 37.179 -11.520 1.00 60.11 ATOM 1288 OD1 ASN 80 -14.256 37.260 -12.360 1.00 44.21 ATOM 1289 ND2 ASN 80 -16.234 36.430 -11.697 1.00 54.31 ATOM 1290 HD21 ASN 80 -16.921 36.400 -10.993 1.00 62.20 ATOM 1291 HD22 ASN 80 -16.306 35.933 -12.533 1.00 53.45 ATOM 1292 C ASN 80 -16.160 40.079 -10.925 1.00 31.04 ATOM 1293 O ASN 80 -17.132 39.382 -11.218 1.00 23.33 ATOM 1294 N TYR 81 -16.167 41.404 -11.016 1.00 12.11 ATOM 1295 HN TYR 81 -15.358 41.915 -10.798 1.00 37.62 ATOM 1296 CA TYR 81 -17.344 42.132 -11.474 1.00 15.41 ATOM 1297 HA TYR 81 -18.190 41.453 -11.488 1.00 3.23 ATOM 1298 CB TYR 81 -17.657 43.289 -10.523 1.00 23.24 ATOM 1299 HB1 TYR 81 -17.034 44.144 -10.761 1.00 37.62 ATOM 1300 HB2 TYR 81 -17.442 42.974 -9.514 1.00 21.24 ATOM 1301 CG TYR 81 -19.106 43.718 -10.547 1.00 12.31 ATOM 1302 CD1 TYR 81 -20.115 42.853 -10.141 1.00 42.30 ATOM 1303 HD1 TYR 81 -19.855 41.859 -9.804 1.00 23.01 ATOM 1304 CD2 TYR 81 -19.467 44.990 -10.975 1.00 50.12 ATOM 1305 HD2 TYR 81 -18.697 45.679 -11.295 1.00 62.43 ATOM 1306 CE1 TYR 81 -21.440 43.241 -10.162 1.00 53.55 ATOM 1307 HE1 TYR 81 -22.209 42.553 -9.842 1.00 11.45 ATOM 1308 CE2 TYR 81 -20.790 45.387 -10.999 1.00 0.44 ATOM 1309 HE2 TYR 81 -21.050 46.380 -11.336 1.00 0.01 ATOM 1310 CZ TYR 81 -21.773 44.509 -10.592 1.00 1.42 ATOM 1311 OH TYR 81 -23.092 44.900 -10.613 1.00 51.43 ATOM 1312 HH TYR 81 -23.402 45.053 -9.715 1.00 55.53 ATOM 1313 C TYR 81 -17.140 42.664 -12.889 1.00 44.40 ATOM 1314 O TYR 81 -16.009 42.784 -13.362 1.00 11.15 ATOM 1315 N ARG 82 -18.242 42.983 -13.560 1.00 21.42 ATOM 1316 HN ARG 82 -19.124 42.862 -13.143 1.00 37.62 ATOM 1317 CA ARG 82 -18.185 43.501 -14.921 1.00 42.50 ATOM 1318 HA ARG 82 -19.200 43.627 -15.271 1.00 55.00 ATOM 1319 CB ARG 82 -17.469 44.853 -14.945 1.00 3.12 ATOM 1320 HB1 ARG 82 -17.153 45.082 -15.957 1.00 37.62 ATOM 1321 HB2 ARG 82 -16.592 44.814 -14.323 1.00 63.45 ATOM 1322 CG ARG 82 -18.329 46.007 -14.456 1.00 30.22 ATOM 1323 HG1 ARG 82 -17.679 46.810 -14.140 1.00 37.62 ATOM 1324 HG2 ARG 82 -18.931 45.683 -13.618 1.00 14.45 ATOM 1325 CD ARG 82 -19.246 46.522 -15.554 1.00 10.31 ATOM 1326 HD1 ARG 82 -20.068 45.831 -15.673 1.00 37.62 ATOM 1327 HD2 ARG 82 -18.681 46.573 -16.477 1.00 71.43 ATOM 1328 NE ARG 82 -19.777 47.847 -15.246 1.00 53.42 ATOM 1329 HE ARG 82 -19.740 48.152 -14.309 1.00 62.12 ATOM 1330 CZ ARG 82 -20.310 48.655 -16.156 1.00 53.13 ATOM 1331 NH1 ARG 82 -20.383 48.274 -17.424 1.00 42.22 ATOM 1332 HH11 ARG 82 -20.049 47.384 -17.724 1.00 72.24 ATOM 1333 HH12 ARG 82 -20.784 48.893 -18.103 1.00 63.23 ATOM 1334 NH2 ARG 82 -20.773 49.846 -15.799 1.00 5.34 ATOM 1335 HH21 ARG 82 -20.722 50.140 -14.842 1.00 23.33 ATOM 1336 HH22 ARG 82 -21.175 50.457 -16.484 1.00 52.31 ATOM 1337 C ARG 82 -17.473 42.520 -15.848 1.00 2.25 ATOM 1338 O ARG 82 -16.753 42.923 -16.762 1.00 34.01 ATOM 1339 N LYS 83 -17.678 41.230 -15.604 1.00 43.14 ATOM 1340 HN LYS 83 -18.289 40.958 -14.880 1.00 37.62 ATOM 1341 CA LYS 83 -17.057 40.190 -16.416 1.00 41.12 ATOM 1342 HA LYS 83 -16.123 40.573 -16.815 1.00 22.53 ATOM 1343 CB LYS 83 -16.740 38.964 -15.556 1.00 54.24 ATOM 1344 HB1 LYS 83 -17.659 38.617 -15.101 1.00 37.62 ATOM 1345 HB2 LYS 83 -16.051 39.256 -14.776 1.00 40.31 ATOM 1346 CG LYS 83 -16.117 37.819 -16.336 1.00 3.33 ATOM 1347 HG1 LYS 83 -15.106 38.094 -16.599 1.00 37.62 ATOM 1348 HG2 LYS 83 -16.679 37.627 -17.238 1.00 40.15 ATOM 1349 CD LYS 83 -16.070 36.544 -15.511 1.00 61.12 ATOM 1350 HD1 LYS 83 -15.738 36.771 -14.506 1.00 37.62 ATOM 1351 HD2 LYS 83 -15.372 35.861 -15.972 1.00 62.13 ATOM 1352 CE LYS 83 -17.433 35.872 -15.445 1.00 50.43 ATOM 1353 HE1 LYS 83 -17.850 35.811 -16.443 1.00 37.62 ATOM 1354 HE2 LYS 83 -18.083 36.465 -14.821 1.00 4.04 ATOM 1355 NZ LYS 83 -17.347 34.497 -14.880 1.00 13.42 ATOM 1356 HZ1 LYS 83 -18.295 34.071 -14.842 1.00 70.41 ATOM 1357 HZ2 LYS 83 -16.955 34.519 -13.919 1.00 3.13 ATOM 1358 HZ3 LYS 83 -16.738 33.899 -15.477 1.00 23.53 ATOM 1359 C LYS 83 -17.964 39.791 -17.575 1.00 71.54 ATOM 1360 O LYS 83 -19.177 39.661 -17.410 1.00 53.14 ATOM 1361 N ARG 84 -17.368 39.595 -18.747 1.00 52.11 ATOM 1362 HN ARG 84 -16.392 39.703 -18.824 1.00 37.62 ATOM 1363 CA ARG 84 -18.123 39.210 -19.933 1.00 71.14 ATOM 1364 HA ARG 84 -19.183 39.235 -19.709 1.00 20.25 ATOM 1365 CB ARG 84 -17.854 40.191 -21.076 1.00 63.52 ATOM 1366 HB1 ARG 84 -18.456 39.910 -21.930 1.00 37.62 ATOM 1367 HB2 ARG 84 -16.807 40.126 -21.348 1.00 4.11 ATOM 1368 CG ARG 84 -18.174 41.635 -20.728 1.00 32.13 ATOM 1369 HG1 ARG 84 -17.760 41.875 -19.759 1.00 37.62 ATOM 1370 HG2 ARG 84 -19.246 41.759 -20.702 1.00 43.22 ATOM 1371 CD ARG 84 -17.595 42.597 -21.753 1.00 54.02 ATOM 1372 HD1 ARG 84 -18.143 42.487 -22.678 1.00 37.62 ATOM 1373 HD2 ARG 84 -16.553 42.353 -21.920 1.00 21.43 ATOM 1374 NE ARG 84 -17.683 43.986 -21.311 1.00 55.22 ATOM 1375 HE ARG 84 -18.090 44.166 -20.431 1.00 52.21 ATOM 1376 CZ ARG 84 -17.246 45.015 -22.029 1.00 75.10 ATOM 1377 NH1 ARG 84 -16.694 44.812 -23.217 1.00 72.41 ATOM 1378 HH11 ARG 84 -16.596 43.892 -23.594 1.00 61.23 ATOM 1379 HH12 ARG 84 -16.367 45.594 -23.752 1.00 51.12 ATOM 1380 NH2 ARG 84 -17.362 46.250 -21.559 1.00 0.32 ATOM 1381 HH21 ARG 84 -17.779 46.410 -20.662 1.00 20.53 ATOM 1382 HH22 ARG 84 -17.033 47.028 -22.099 1.00 23.34 ATOM 1383 C ARG 84 -17.764 37.793 -20.370 1.00 21.52 ATOM 1384 O ARG 84 -16.743 37.243 -19.955 1.00 50.32 ATOM 1385 N LYS 85 -18.610 37.205 -21.209 1.00 13.11 ATOM 1386 HN LYS 85 -19.408 37.694 -21.519 1.00 37.62 ATOM 1387 CA LYS 85 -18.383 35.852 -21.703 1.00 53.20 ATOM 1388 HA LYS 85 -17.594 35.385 -21.123 1.00 52.41 ATOM 1389 CB LYS 85 -19.654 35.013 -21.554 1.00 73.14 ATOM 1390 HB1 LYS 85 -19.524 34.080 -22.094 1.00 37.62 ATOM 1391 HB2 LYS 85 -20.481 35.556 -21.987 1.00 4.04 ATOM 1392 CG LYS 85 -20.003 34.687 -20.112 1.00 41.14 ATOM 1393 HG1 LYS 85 -20.436 35.563 -19.647 1.00 37.62 ATOM 1394 HG2 LYS 85 -19.101 34.408 -19.582 1.00 22.31 ATOM 1395 CD LYS 85 -20.986 33.532 -20.024 1.00 24.53 ATOM 1396 HD1 LYS 85 -21.074 33.231 -18.990 1.00 37.62 ATOM 1397 HD2 LYS 85 -20.619 32.700 -20.609 1.00 33.42 ATOM 1398 CE LYS 85 -22.361 33.929 -20.536 1.00 54.20 ATOM 1399 HE1 LYS 85 -22.311 34.046 -21.608 1.00 37.62 ATOM 1400 HE2 LYS 85 -22.653 34.868 -20.084 1.00 31.14 ATOM 1401 NZ LYS 85 -23.392 32.906 -20.209 1.00 34.34 ATOM 1402 HZ1 LYS 85 -24.319 33.208 -20.572 1.00 2.24 ATOM 1403 HZ2 LYS 85 -23.464 32.780 -19.178 1.00 64.41 ATOM 1404 HZ3 LYS 85 -23.146 31.992 -20.643 1.00 70.53 ATOM 1405 C LYS 85 -17.943 35.873 -23.163 1.00 50.03 ATOM 1406 O LYS 85 -18.078 36.887 -23.849 1.00 14.52 ATOM 1407 N LEU 86 -17.417 34.748 -23.634 1.00 32.41 ATOM 1408 HN LEU 86 -17.320 33.969 -23.036 1.00 37.62 ATOM 1409 CA LEU 86 -16.958 34.636 -25.014 1.00 54.13 ATOM 1410 HA LEU 86 -17.429 35.408 -25.610 1.00 55.10 ATOM 1411 CB LEU 86 -15.442 34.821 -25.085 1.00 3.32 ATOM 1412 HB1 LEU 86 -15.104 34.558 -26.083 1.00 37.62 ATOM 1413 HB2 LEU 86 -15.003 34.116 -24.389 1.00 53.21 ATOM 1414 CG LEU 86 -14.920 36.220 -24.752 1.00 70.41 ATOM 1415 HG LEU 86 -15.463 36.619 -23.910 1.00 22.35 ATOM 1416 CD1 LEU 86 -13.451 36.162 -24.361 1.00 55.40 ATOM 1417 HD11 LEU 86 -13.104 37.154 -24.107 1.00 73.34 ATOM 1418 HD12 LEU 86 -12.868 35.779 -25.187 1.00 43.24 ATOM 1419 HD13 LEU 86 -13.329 35.513 -23.505 1.00 24.41 ATOM 1420 CD2 LEU 86 -15.124 37.159 -25.931 1.00 44.45 ATOM 1421 HD21 LEU 86 -16.176 37.209 -26.176 1.00 54.30 ATOM 1422 HD22 LEU 86 -14.573 36.796 -26.788 1.00 52.23 ATOM 1423 HD23 LEU 86 -14.772 38.148 -25.672 1.00 12.44 ATOM 1424 C LEU 86 -17.346 33.286 -25.609 1.00 44.14 ATOM 1425 O LEU 86 -17.759 32.376 -24.891 1.00 43.51 ATOM 1426 N GLU 87 -17.207 33.164 -26.926 1.00 24.42 ATOM 1427 HN GLU 87 -16.883 33.931 -27.455 1.00 37.62 ATOM 1428 CA GLU 87 -17.541 31.924 -27.616 1.00 62.45 ATOM 1429 HA GLU 87 -17.553 31.109 -26.899 1.00 61.33 ATOM 1430 CB GLU 87 -18.918 32.035 -28.273 1.00 75.20 ATOM 1431 HB1 GLU 87 -18.976 31.347 -29.108 1.00 37.62 ATOM 1432 HB2 GLU 87 -19.049 33.036 -28.658 1.00 43.12 ATOM 1433 CG GLU 87 -20.067 31.697 -27.338 1.00 34.20 ATOM 1434 HG1 GLU 87 -19.766 30.906 -26.663 1.00 37.62 ATOM 1435 HG2 GLU 87 -20.902 31.356 -27.932 1.00 4.41 ATOM 1436 CD GLU 87 -20.523 32.889 -26.518 1.00 65.34 ATOM 1437 OE1 GLU 87 -20.924 32.688 -25.353 1.00 21.22 ATOM 1438 OE2 GLU 87 -20.478 34.021 -27.042 1.00 3.42 ATOM 1439 C GLU 87 -16.489 31.587 -28.670 1.00 31.14 ATOM 1440 O GLU 87 -15.571 32.369 -28.920 1.00 72.20 ATOM 1441 N THR 88 -16.629 30.416 -29.284 1.00 40.32 ATOM 1442 HN THR 88 -17.376 29.822 -29.031 1.00 37.62 ATOM 1443 CA THR 88 -15.691 29.974 -30.309 1.00 14.14 ATOM 1444 HA THR 88 -15.358 30.840 -30.871 1.00 20.01 ATOM 1445 CB THR 88 -14.453 29.304 -29.685 1.00 23.12 ATOM 1446 HB THR 88 -13.956 30.024 -29.050 1.00 0.11 ATOM 1447 OG1 THR 88 -13.551 28.885 -30.715 1.00 50.25 ATOM 1448 HG1 THR 88 -12.658 28.836 -30.363 1.00 52.25 ATOM 1449 CG2 THR 88 -14.854 28.106 -28.838 1.00 35.30 ATOM 1450 HG21 THR 88 -15.575 28.406 -28.090 1.00 13.33 ATOM 1451 HG22 THR 88 -13.977 27.712 -28.346 1.00 75.12 ATOM 1452 HG23 THR 88 -15.282 27.338 -29.464 1.00 72.13 ATOM 1453 C THR 88 -16.352 28.996 -31.274 1.00 13.44 ATOM 1454 O THR 88 -17.335 28.338 -30.929 1.00 45.42 ATOM 1455 N ILE 89 -15.807 28.906 -32.482 1.00 34.40 ATOM 1456 HN ILE 89 -15.023 29.456 -32.709 1.00 37.62 ATOM 1457 CA ILE 89 -16.344 28.006 -33.496 1.00 0.13 ATOM 1458 HA ILE 89 -17.198 27.477 -33.085 1.00 71.23 ATOM 1459 CB ILE 89 -16.823 28.780 -34.738 1.00 63.23 ATOM 1460 HB ILE 89 -15.963 29.230 -35.217 1.00 2.42 ATOM 1461 CG1 ILE 89 -17.796 29.888 -34.332 1.00 51.22 ATOM 1462 HG11 ILE 89 -18.076 30.450 -35.212 1.00 37.62 ATOM 1463 HG12 ILE 89 -17.318 30.556 -33.631 1.00 20.32 ATOM 1464 CG2 ILE 89 -17.476 27.832 -35.733 1.00 42.13 ATOM 1465 HG21 ILE 89 -16.731 27.173 -36.152 1.00 31.43 ATOM 1466 HG22 ILE 89 -17.929 28.400 -36.535 1.00 33.22 ATOM 1467 HG23 ILE 89 -18.238 27.244 -35.239 1.00 51.10 ATOM 1468 CD1 ILE 89 -19.067 29.372 -33.693 1.00 44.43 ATOM 1469 HD11 ILE 89 -19.692 30.211 -33.425 1.00 61.12 ATOM 1470 HD12 ILE 89 -18.835 28.810 -32.806 1.00 65.43 ATOM 1471 HD13 ILE 89 -19.602 28.744 -34.389 1.00 62.22 ATOM 1472 C ILE 89 -15.304 26.975 -33.922 1.00 12.31 ATOM 1473 O ILE 89 -14.338 27.301 -34.612 1.00 22.25 ATOM 1474 N VAL 90 -15.510 25.729 -33.508 1.00 31.01 ATOM 1475 HN VAL 90 -16.293 25.526 -32.943 1.00 37.62 ATOM 1476 CA VAL 90 -14.592 24.649 -33.849 1.00 73.40 ATOM 1477 HA VAL 90 -14.074 24.913 -34.768 1.00 64.24 ATOM 1478 CB VAL 90 -13.540 24.437 -32.745 1.00 24.22 ATOM 1479 HB VAL 90 -13.084 25.391 -32.521 1.00 35.43 ATOM 1480 CG1 VAL 90 -14.195 23.914 -31.476 1.00 23.24 ATOM 1481 HG11 VAL 90 -14.535 22.897 -31.616 1.00 4.03 ATOM 1482 HG12 VAL 90 -15.037 24.540 -31.212 1.00 71.11 ATOM 1483 HG13 VAL 90 -13.474 23.938 -30.672 1.00 3.44 ATOM 1484 CG2 VAL 90 -12.451 23.488 -33.222 1.00 44.14 ATOM 1485 HG21 VAL 90 -12.031 23.851 -34.151 1.00 23.35 ATOM 1486 HG22 VAL 90 -12.858 22.499 -33.374 1.00 1.33 ATOM 1487 HG23 VAL 90 -11.670 23.439 -32.477 1.00 64.34 ATOM 1488 C VAL 90 -15.343 23.342 -34.078 1.00 21.41 ATOM 1489 O VAL 90 -16.348 23.070 -33.422 1.00 74.44 ATOM 1490 N GLN 91 -14.847 22.536 -35.012 1.00 2.33 ATOM 1491 HN GLN 91 -14.028 22.803 -35.496 1.00 37.62 ATOM 1492 HA GLN 91 -16.545 21.389 -35.283 1.00 64.04 ATOM 1493 CB GLN 91 -15.085 20.811 -36.738 1.00 23.30 ATOM 1494 HB1 GLN 91 -14.019 20.630 -36.774 1.00 37.62 ATOM 1495 HB2 GLN 91 -15.327 21.605 -37.430 1.00 63.23 ATOM 1496 CG GLN 91 -15.799 19.549 -37.194 1.00 72.12 ATOM 1497 HG1 GLN 91 -15.516 18.730 -36.549 1.00 37.62 ATOM 1498 HG2 GLN 91 -15.484 19.328 -38.204 1.00 34.03 ATOM 1499 CD GLN 91 -17.308 19.698 -37.189 1.00 2.14 ATOM 1500 OE1 GLN 91 -17.869 20.481 -37.956 1.00 4.33 ATOM 1501 NE2 GLN 91 -17.974 18.945 -36.321 1.00 52.32 ATOM 1502 HE21 GLN 91 -17.476 18.336 -35.730 1.00 60.33 ATOM 1503 HE22 GLN 91 -18.950 19.027 -36.303 1.00 1.04 ATOM 1504 CA GLN 91 -15.471 21.257 -35.327 1.00 14.11 ATOM 1505 C GLN 91 -15.068 20.190 -34.315 1.00 3.13 ATOM 1506 OT1 GLN 91 -13.849 19.973 -34.132 1.00 37.62 ATOM 1507 OT2 GLN 91 -15.973 19.576 -33.711 1.00 37.62 ATOM 1508 OH2 TIP3 1 -32.284 12.276 -2.220 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -32.725 11.556 -1.770 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -32.297 12.997 -1.590 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -37.601 11.770 -0.116 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -37.297 11.084 -0.710 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -36.879 11.888 0.502 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -35.126 12.683 -4.898 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -35.422 12.361 -5.749 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -35.450 13.583 -4.856 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -39.926 10.859 1.846 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -40.666 11.457 1.949 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -39.212 11.413 1.530 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -41.518 12.823 2.633 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -41.524 13.702 2.255 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -42.372 12.740 3.058 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -31.772 14.116 0.128 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -32.714 14.174 0.289 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -31.496 15.022 -0.009 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -33.520 15.897 -3.247 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -33.095 15.190 -3.732 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -33.203 16.698 -3.664 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -32.361 13.798 -4.738 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -32.618 13.108 -5.350 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -32.290 13.355 -3.893 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -30.675 12.364 3.739 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -30.535 11.773 3.000 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.507 13.237 3.383 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -28.833 8.704 1.805 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -29.485 9.399 1.894 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -28.368 8.914 0.995 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -39.784 13.594 -0.973 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -39.879 13.016 -1.730 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -39.055 13.223 -0.477 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -39.904 13.334 4.696 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -40.216 14.116 5.152 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -40.554 13.181 4.010 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -36.199 15.435 -4.417 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -35.725 15.730 -3.639 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -36.762 16.173 -4.650 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -41.665 15.406 5.460 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -41.657 15.270 4.512 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -42.581 15.288 5.712 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -37.141 14.619 4.192 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -37.054 15.445 4.667 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -38.005 14.289 4.441 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -36.727 18.391 -6.002 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -36.802 18.270 -6.948 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -36.694 19.341 -5.883 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -33.956 17.471 -6.250 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -34.891 17.571 -6.071 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -33.676 16.762 -5.672 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -30.890 10.528 1.654 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -30.248 10.985 1.111 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -31.720 10.641 1.192 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -36.520 11.579 4.105 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -36.866 11.198 4.911 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -36.720 12.513 4.176 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -34.270 14.041 4.055 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -35.171 14.224 3.787 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -34.236 14.300 4.976 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -30.243 15.072 -7.113 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -30.616 14.246 -6.803 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -29.966 14.889 -8.010 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -40.540 14.208 -3.958 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -40.013 14.981 -4.159 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -41.420 14.433 -4.260 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -40.429 16.893 -4.837 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -41.379 16.998 -4.785 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -40.078 17.713 -4.492 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -35.054 12.119 1.634 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -35.480 11.892 2.460 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -34.473 11.381 1.451 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -28.347 17.528 -9.091 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -27.604 18.114 -9.231 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -29.042 18.096 -8.758 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -40.814 16.515 7.918 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -40.046 16.056 8.259 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -40.835 16.289 6.988 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -33.114 11.292 4.068 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -32.369 11.880 3.948 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -33.871 11.874 4.131 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -35.705 10.086 7.324 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.752 10.170 7.296 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -35.865 9.375 7.943 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -32.659 9.383 5.967 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -32.940 10.092 5.389 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -31.716 9.310 5.816 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -29.094 11.189 -6.627 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -28.244 11.610 -6.499 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -29.089 10.449 -6.019 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -28.700 9.242 -4.803 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -29.426 8.763 -4.405 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -28.119 9.448 -4.071 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -28.941 12.027 0.145 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -28.107 11.649 -0.136 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -28.829 12.970 0.026 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -30.057 9.733 5.399 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -29.474 8.999 5.590 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -29.493 10.505 5.445 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -28.560 7.636 6.083 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -29.423 7.257 5.918 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -27.956 6.897 6.009 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -31.671 17.665 -4.129 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -31.018 17.318 -4.737 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -31.160 18.154 -3.483 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -41.332 15.569 2.673 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -41.757 16.378 2.390 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -40.427 15.654 2.371 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -43.930 18.825 2.720 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -44.650 19.265 2.269 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -44.296 18.574 3.569 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -41.463 18.425 1.750 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -42.328 18.497 2.154 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -41.518 18.972 0.966 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -42.374 16.158 -1.714 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -42.593 15.242 -1.545 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -41.550 16.298 -1.248 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -39.837 16.628 -0.866 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -39.624 15.740 -1.153 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -39.772 16.594 0.089 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -29.691 17.445 -6.121 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -29.885 16.697 -6.686 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -29.730 18.203 -6.705 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -32.361 13.798 14.118 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -32.618 13.108 13.506 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -32.290 13.355 14.963 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -36.727 18.391 12.854 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -36.802 18.270 11.908 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -36.694 19.341 12.973 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -33.956 17.471 12.606 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -34.891 17.571 12.785 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -33.676 16.762 13.184 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -32.448 9.731 8.634 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -32.406 9.508 7.704 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -31.599 10.129 8.824 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -35.914 12.854 10.749 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -36.209 13.680 11.131 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -36.617 12.234 10.945 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -30.243 15.072 11.743 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -30.616 14.246 12.053 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -29.966 14.889 10.846 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -31.985 11.721 11.790 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.262 10.993 12.346 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.058 11.840 11.996 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -38.760 14.160 8.011 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -38.521 13.412 7.463 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -39.029 13.772 8.843 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -37.085 15.428 11.216 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -37.902 15.925 11.269 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -36.556 15.903 10.576 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -39.747 16.471 11.198 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -39.586 17.271 10.697 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -39.944 16.778 12.083 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -31.125 16.925 18.926 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -31.281 17.603 18.269 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -30.193 16.997 19.129 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -36.722 16.023 8.149 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -37.366 15.392 8.471 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -35.960 15.492 7.917 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -35.811 12.797 7.976 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -36.079 12.977 8.877 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -36.017 11.871 7.845 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -29.553 10.320 8.254 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -29.826 9.895 7.441 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -29.513 11.251 8.037 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -39.045 18.656 9.810 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -38.112 18.814 9.954 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -39.309 19.331 9.185 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -28.409 17.575 19.155 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -28.431 17.760 20.094 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -27.719 18.144 18.814 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -28.846 17.142 22.077 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -29.333 16.407 21.706 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -28.297 16.749 22.755 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -29.094 11.189 12.229 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -28.244 11.610 12.357 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -29.089 10.449 12.837 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -28.432 9.143 10.444 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -28.953 9.500 9.725 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -28.465 9.818 11.122 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -31.671 17.665 14.727 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -31.018 17.318 14.119 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -31.160 18.154 15.373 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -36.400 17.882 10.055 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -35.534 18.248 9.877 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -36.647 17.442 9.242 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -29.691 17.445 12.735 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -29.885 16.697 12.170 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -29.730 18.203 12.151 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -28.120 33.901 -13.540 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -28.169 32.946 -13.577 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -28.946 34.169 -13.138 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -30.838 37.769 -12.433 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -30.638 38.193 -13.268 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -30.182 38.112 -11.826 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -28.409 36.431 -18.557 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -28.431 36.616 -17.618 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -27.719 37.000 -18.898 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -28.846 35.998 -15.635 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -29.333 35.263 -16.006 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -28.297 35.605 -14.957 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -30.395 31.788 -10.997 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -31.261 31.683 -10.603 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -30.019 32.547 -10.550 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -28.700 28.098 -23.659 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -29.426 27.619 -23.261 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -28.119 28.304 -22.927 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -28.941 30.883 -18.711 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -28.107 30.505 -18.992 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -28.829 31.826 -18.830 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -28.279 19.500 -11.068 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -27.929 18.846 -11.674 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -28.132 20.337 -11.508 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -28.759 21.609 -12.719 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -29.676 21.880 -12.755 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -28.636 21.074 -13.503 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -35.990 28.193 -0.522 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -36.028 27.547 0.183 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -36.313 27.727 -1.293 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -32.284 31.132 -2.220 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -32.725 30.412 -1.770 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -32.297 31.853 -1.590 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -34.460 25.020 0.212 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -34.317 24.073 0.232 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -34.566 25.227 -0.717 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -33.583 23.252 -4.115 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -32.937 22.923 -3.490 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.073 23.770 -4.738 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -42.495 22.039 1.558 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -42.714 22.569 0.792 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -43.163 22.266 2.206 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -31.772 32.972 0.128 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -32.714 33.030 0.289 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -31.496 33.878 -0.009 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -33.520 34.753 -3.247 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -33.095 34.046 -3.732 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -33.203 35.554 -3.664 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -32.361 32.654 -4.738 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -32.618 31.964 -5.350 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -32.290 32.211 -3.893 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -32.796 28.392 -5.537 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -33.528 28.620 -4.964 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -32.349 27.678 -5.082 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -34.475 33.294 0.713 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -34.716 33.956 1.361 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -34.673 32.460 1.138 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -30.227 19.304 -8.039 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -31.126 19.443 -7.744 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -29.975 20.135 -8.441 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -29.037 33.670 -9.662 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -28.964 34.609 -9.492 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.132 33.365 -9.719 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -33.625 36.401 -8.999 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -33.250 35.657 -9.470 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -33.621 36.131 -8.081 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -33.956 36.327 -6.250 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -34.891 36.427 -6.071 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -33.676 35.618 -5.672 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -41.200 20.248 -0.211 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -42.061 20.161 -0.619 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -41.222 21.104 0.216 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -36.474 26.026 6.101 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -37.037 25.322 6.421 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -35.648 25.906 6.568 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -34.572 25.297 -2.573 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -34.767 25.902 -3.288 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -34.390 24.463 -3.008 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -35.308 26.935 2.098 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -34.984 26.304 1.455 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.748 26.400 2.759 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -38.530 22.862 -3.118 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -39.441 22.919 -2.829 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -38.025 22.802 -2.307 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -34.125 22.097 0.146 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -34.802 22.228 0.810 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -34.611 21.942 -0.664 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -30.838 37.769 6.423 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.638 38.193 5.588 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -30.182 38.112 7.030 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -37.210 25.650 -1.231 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -36.646 25.103 -1.778 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -37.358 25.128 -0.442 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -38.584 24.038 1.183 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -39.419 24.492 1.293 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.060 24.314 1.935 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -36.520 30.435 4.105 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -36.866 30.054 4.911 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -36.720 31.369 4.176 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -33.424 24.932 -7.272 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -32.532 24.795 -6.953 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -33.367 25.723 -7.809 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -34.270 32.897 4.055 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.171 33.080 3.787 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.236 33.156 4.976 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -30.243 33.928 -7.113 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -30.616 33.102 -6.803 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -29.966 33.745 -8.010 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -33.083 28.736 -0.091 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -34.011 28.504 -0.118 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -32.632 27.959 -0.421 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -35.054 30.975 1.634 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -35.480 30.748 2.460 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -34.473 30.237 1.451 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -32.395 35.527 4.103 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -32.997 34.972 3.608 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -32.114 36.194 3.477 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -31.985 30.577 -7.066 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -32.262 29.849 -6.510 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -31.058 30.696 -6.860 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -34.754 22.153 -6.503 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -34.534 22.625 -7.306 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -34.196 22.548 -5.832 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -37.018 24.867 3.517 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -36.899 25.441 4.274 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -36.363 24.179 3.632 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -36.670 20.962 -4.730 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -37.017 21.580 -4.085 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -36.012 21.463 -5.211 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -32.212 26.525 -1.552 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -33.009 26.110 -1.881 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -31.767 25.834 -1.061 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -31.125 35.781 0.070 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -31.281 36.459 -0.587 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -30.193 35.853 0.273 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -34.237 33.751 6.647 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -34.588 32.895 6.890 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -33.511 33.894 7.254 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -32.118 34.696 -10.473 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -31.835 33.902 -10.020 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -31.378 34.929 -11.034 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -33.114 30.148 4.068 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -32.369 30.736 3.948 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -33.871 30.730 4.131 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -35.705 28.942 7.324 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -34.752 29.026 7.296 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -35.865 28.231 7.943 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -29.553 29.176 -10.602 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -29.826 28.751 -11.415 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -29.513 30.107 -10.819 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -40.385 23.826 5.129 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -40.235 23.097 4.526 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -40.383 24.603 4.570 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -39.973 22.196 2.621 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -39.437 22.647 1.969 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -40.825 22.088 2.199 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -38.391 27.635 2.861 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -37.640 27.479 2.288 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -38.730 28.487 2.585 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -33.975 25.450 7.889 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -33.783 24.519 7.778 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -33.118 25.875 7.879 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -32.659 28.239 5.967 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -32.940 28.948 5.389 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -31.716 28.166 5.816 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -37.903 23.974 6.616 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -38.139 23.754 7.518 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -38.686 23.767 6.107 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -38.592 20.629 7.778 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -38.723 20.153 6.957 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -39.191 21.373 7.722 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -28.409 36.431 0.299 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -28.431 36.616 1.238 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -27.719 37.000 -0.042 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -28.846 35.998 3.221 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -29.333 35.263 2.850 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -28.297 35.605 3.899 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -30.395 31.788 7.859 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.261 31.683 8.253 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -30.019 32.547 8.306 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -29.094 30.045 -6.627 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -28.244 30.466 -6.499 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -29.089 29.305 -6.019 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -28.700 28.098 -4.803 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -29.426 27.619 -4.405 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -28.119 28.304 -4.071 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -28.432 27.999 -8.412 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -28.953 28.356 -9.131 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -28.465 28.674 -7.734 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -30.083 25.239 -9.861 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -29.986 25.906 -10.541 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -30.223 24.423 -10.343 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -30.913 26.619 -4.240 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -31.063 25.674 -4.260 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -31.267 26.900 -3.396 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -30.835 22.647 -10.744 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -30.225 22.275 -10.107 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -31.672 22.225 -10.548 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -31.203 24.202 -5.778 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -30.923 23.295 -5.653 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -30.444 24.636 -6.167 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -28.723 21.532 -9.201 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -28.310 20.811 -9.677 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -28.041 22.202 -9.143 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -31.671 36.521 -4.129 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -31.018 36.174 -4.737 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -31.160 37.010 -3.483 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -34.425 36.047 1.871 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -35.329 36.212 1.605 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -33.996 36.900 1.805 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -31.820 37.617 2.166 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -32.002 38.533 1.955 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -31.644 37.207 1.319 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -36.328 21.148 -1.721 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -37.003 20.519 -1.466 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -35.764 20.664 -2.324 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -39.422 19.709 -4.086 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -38.548 20.097 -4.116 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -39.558 19.494 -3.163 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -33.865 19.739 -2.437 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -33.789 19.834 -3.386 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -34.141 18.831 -2.308 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -32.512 19.765 -6.744 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -33.215 20.379 -6.954 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -32.957 18.927 -6.613 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -42.071 19.647 7.154 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -41.172 19.373 6.969 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -42.457 18.904 7.618 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -30.473 35.052 6.029 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -31.255 34.866 5.509 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -30.545 35.981 6.246 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -34.923 28.938 14.915 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -34.834 29.882 14.783 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -35.562 28.663 14.257 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -32.284 31.132 16.636 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -32.725 30.412 17.086 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -32.297 31.853 17.266 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -28.938 22.227 19.601 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -28.889 22.837 20.337 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -28.512 22.688 18.878 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -33.583 23.252 14.741 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -32.937 22.923 15.366 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -33.073 23.770 14.118 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -28.546 23.705 21.837 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -29.235 24.363 21.742 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -28.531 23.508 22.774 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -35.126 31.539 13.958 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -35.422 31.217 13.107 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -35.450 32.439 14.000 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -31.819 22.543 16.722 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -32.034 21.777 17.254 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -31.163 23.015 17.235 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -31.772 32.972 18.984 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -32.714 33.030 19.145 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -31.496 33.878 18.847 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -33.520 34.753 15.609 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -33.095 34.046 15.124 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -33.203 35.554 15.192 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -32.361 32.654 14.118 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -32.618 31.964 13.506 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -32.290 32.211 14.963 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -30.675 31.220 22.595 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -30.535 30.629 21.856 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -30.507 32.093 22.239 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -36.148 26.640 9.406 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -35.447 26.662 10.057 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -35.846 26.012 8.750 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -28.833 27.560 20.661 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -29.485 28.255 20.750 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -28.368 27.770 19.851 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -32.796 28.392 13.319 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -33.528 28.620 13.892 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -32.349 27.678 13.774 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -33.925 27.554 11.004 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -33.346 27.704 11.751 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -33.511 28.025 10.281 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -28.120 33.901 24.172 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -28.169 32.946 24.135 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -28.946 34.169 24.574 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -33.625 36.401 9.857 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -33.250 35.657 9.386 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -33.621 36.131 10.775 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -33.956 36.327 12.606 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -34.891 36.427 12.785 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -33.676 35.618 13.184 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -32.448 28.587 8.634 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -32.406 28.364 7.704 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -31.599 28.985 8.824 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -36.875 22.463 9.304 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -37.129 22.482 10.227 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -37.132 21.591 9.003 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.576 25.851 13.469 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -35.985 26.666 13.177 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -34.856 25.711 12.854 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -39.993 22.908 8.405 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -40.424 22.463 9.135 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -40.711 23.280 7.893 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -30.890 29.384 20.510 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -30.248 29.841 19.967 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -31.720 29.497 20.048 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -33.424 24.932 11.584 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -32.532 24.795 11.903 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -33.367 25.723 11.047 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -28.575 30.942 24.115 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -29.427 31.180 23.748 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -27.985 30.925 23.362 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -32.851 31.904 9.564 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -32.498 31.524 10.368 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -33.800 31.811 9.650 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -31.985 30.577 11.790 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -32.262 29.849 12.346 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -31.058 30.696 11.996 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -34.754 22.153 12.353 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -34.534 22.625 11.550 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -34.196 22.548 13.024 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -37.554 23.881 13.188 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.742 24.385 13.234 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -37.799 23.736 14.102 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -36.670 20.962 14.126 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -37.017 21.580 14.771 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -36.012 21.463 13.645 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -32.212 26.525 17.304 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -33.009 26.110 16.975 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -31.767 25.834 17.795 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -31.125 35.781 18.926 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -31.281 36.459 18.269 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -30.193 35.853 19.129 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -32.118 34.696 8.383 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -31.835 33.902 8.836 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -31.378 34.929 7.822 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -28.409 36.431 19.155 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -28.431 36.616 20.094 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -27.719 37.000 18.814 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -28.846 35.998 22.077 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -29.333 35.263 21.706 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -28.297 35.605 22.755 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -28.941 30.883 19.001 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -28.107 30.505 18.720 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -28.829 31.826 18.882 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -30.454 33.761 21.308 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -31.102 34.086 21.933 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -30.972 33.321 20.633 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -30.913 26.619 14.616 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -31.063 25.674 14.596 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -31.267 26.900 15.460 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -30.591 24.783 18.514 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -29.658 24.995 18.480 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -30.826 24.885 19.437 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -31.671 36.521 14.727 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -31.018 36.174 14.119 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -31.160 37.010 15.373 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -31.186 19.255 17.247 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -30.582 19.803 16.746 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -32.055 19.575 17.007 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -29.459 20.394 15.581 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -28.847 19.880 15.054 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -29.076 21.272 15.604 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -33.865 19.739 16.419 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -33.789 19.834 15.470 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -34.141 18.831 16.548 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -38.278 21.789 11.660 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -38.100 21.143 12.343 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -38.332 22.623 12.127 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -28.546 42.561 -15.875 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -29.235 43.219 -15.970 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -28.531 42.364 -14.938 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -28.575 49.798 -13.597 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -29.427 50.036 -13.964 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -27.985 49.781 -14.350 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -30.057 47.445 -13.457 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -29.474 46.711 -13.266 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -29.493 48.217 -13.411 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -28.560 45.348 -12.773 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -29.423 44.969 -12.938 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -27.956 44.609 -12.847 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -28.279 38.356 -11.068 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -27.929 37.702 -11.674 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -28.132 39.193 -11.508 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -28.759 40.465 -12.719 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -29.676 40.736 -12.755 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -28.636 39.930 -13.503 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -28.938 41.083 0.745 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -28.889 41.693 1.481 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -28.512 41.544 0.022 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -28.546 42.561 2.981 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -29.235 43.219 2.886 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -28.531 42.364 3.918 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -31.819 41.399 -2.134 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -32.034 40.633 -1.602 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -31.163 41.871 -1.621 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -30.227 38.160 -8.039 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -31.126 38.299 -7.744 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -29.975 38.991 -8.441 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -28.539 43.998 -7.578 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -29.093 43.602 -8.250 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -28.438 44.908 -7.855 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -29.553 48.032 -10.602 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -29.826 47.607 -11.415 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -29.513 48.963 -10.819 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -28.432 46.855 -8.412 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -28.953 47.212 -9.131 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -28.465 47.530 -7.734 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -30.083 44.095 -9.861 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -29.986 44.762 -10.541 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -30.223 43.279 -10.343 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -31.203 43.058 -5.778 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -30.923 42.151 -5.653 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -30.444 43.492 -6.167 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -28.279 38.356 7.788 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -27.929 37.702 7.182 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -28.132 39.193 7.348 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -30.589 40.321 -5.729 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -30.407 39.872 -4.904 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -31.189 39.736 -6.193 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -28.723 40.388 -9.201 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -28.310 39.667 -9.677 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -28.041 41.058 -9.143 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -29.758 38.555 3.956 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -30.571 38.880 3.568 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -29.525 37.795 3.423 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -31.186 38.111 -1.609 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -30.582 38.659 -2.110 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -32.055 38.431 -1.849 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -29.459 39.250 -3.275 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -28.847 38.736 -3.802 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -29.076 40.128 -3.252 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -32.512 38.621 -6.744 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -33.215 39.235 -6.954 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -32.957 37.783 -6.613 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.227 38.160 10.817 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -31.126 38.299 11.112 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -29.975 38.991 10.415 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -30.589 40.321 13.127 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -30.407 39.872 13.952 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -31.189 39.736 12.663 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -28.723 40.388 9.655 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -28.310 39.667 9.179 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -28.041 41.058 9.713 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -31.186 38.111 17.247 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -30.582 38.659 16.746 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -32.055 38.431 17.007 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -29.459 39.250 15.581 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -28.847 38.736 15.054 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -29.076 40.128 15.604 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -32.512 38.621 12.112 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -33.215 39.235 11.902 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -32.957 37.783 12.243 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -18.745 11.770 -37.828 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -18.441 11.084 -38.422 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -18.023 11.888 -37.210 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -22.662 12.823 -35.079 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -22.668 13.702 -35.457 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -23.516 12.740 -34.654 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -12.916 14.116 -37.584 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -13.858 14.174 -37.423 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -12.640 15.022 -37.721 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -14.664 15.897 -40.959 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -14.239 15.190 -41.444 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -14.347 16.698 -41.376 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -11.819 12.364 -33.973 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -11.679 11.773 -34.712 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -11.651 13.237 -34.329 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -20.928 13.594 -38.685 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -21.023 13.016 -39.442 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -20.199 13.223 -38.189 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -15.619 14.438 -36.999 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -15.860 15.100 -36.351 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -15.817 13.604 -36.574 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -21.048 13.334 -33.016 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -21.360 14.116 -32.560 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -21.698 13.181 -33.702 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -17.343 15.435 -42.129 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -16.869 15.730 -41.351 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -17.906 16.173 -42.362 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -22.809 15.406 -32.252 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -22.801 15.270 -33.200 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -23.725 15.288 -32.000 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -9.264 15.045 -32.396 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -9.313 14.090 -32.433 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -10.090 15.313 -31.994 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -18.285 14.619 -33.520 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -18.198 15.445 -33.045 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -19.149 14.289 -33.271 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -17.871 18.391 -43.714 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -17.946 18.270 -44.660 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -17.838 19.341 -43.595 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -15.100 17.471 -43.962 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -16.035 17.571 -43.783 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -14.820 16.762 -43.384 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -17.664 11.579 -33.607 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -18.010 11.198 -32.801 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -17.864 12.513 -33.536 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -15.414 14.041 -33.657 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -16.315 14.224 -33.925 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -15.380 14.300 -32.736 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -21.573 16.893 -42.549 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -22.523 16.998 -42.497 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -21.222 17.713 -42.204 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -16.198 12.119 -36.078 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -16.624 11.892 -35.252 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -15.617 11.381 -36.261 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -12.269 16.925 -37.642 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -12.425 17.603 -38.299 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -11.337 16.997 -37.439 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -21.958 16.515 -29.794 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -21.190 16.056 -29.453 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -21.979 16.289 -30.724 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -15.381 14.895 -31.065 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -15.732 14.039 -30.822 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -14.655 15.038 -30.458 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -9.553 17.575 -37.413 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -9.575 17.760 -36.474 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -8.863 18.144 -37.754 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -9.990 17.142 -34.491 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -10.477 16.407 -34.862 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -9.441 16.749 -33.813 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -11.598 14.905 -35.260 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -12.246 15.230 -34.635 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -12.116 14.465 -35.935 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -12.815 17.665 -41.841 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -12.162 17.318 -42.449 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -12.304 18.154 -41.195 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -22.476 15.569 -35.039 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -22.901 16.378 -35.322 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -21.571 15.654 -35.341 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -25.074 18.825 -34.992 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -25.794 19.265 -35.443 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -25.440 18.574 -34.143 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -22.607 18.425 -35.962 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -23.472 18.497 -35.558 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -22.662 18.972 -36.746 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -23.518 16.158 -39.426 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -23.737 15.242 -39.257 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -22.694 16.298 -38.960 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -20.981 16.628 -38.578 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -20.768 15.740 -38.865 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -20.916 16.594 -37.623 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -11.617 16.196 -31.683 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -12.399 16.010 -32.203 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -11.689 17.125 -31.466 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -21.048 13.334 -14.160 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -21.360 14.116 -13.704 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -21.698 13.181 -14.846 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -22.809 15.406 -13.396 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -22.801 15.270 -14.344 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -23.725 15.288 -13.144 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -18.285 14.619 -14.664 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -18.198 15.445 -14.189 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -19.149 14.289 -14.415 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -14.769 17.545 -27.855 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -14.394 16.801 -28.326 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -14.765 17.275 -26.937 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -11.982 18.913 -12.433 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -11.782 19.337 -13.268 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -11.326 19.256 -11.826 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -24.384 11.387 -12.825 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -23.651 11.641 -12.264 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -25.164 11.591 -12.310 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -17.664 11.579 -14.751 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -18.010 11.198 -13.945 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -17.864 12.513 -14.680 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -20.034 8.668 -12.691 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -20.330 8.502 -13.586 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -19.103 8.448 -12.701 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -15.414 14.041 -14.801 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -16.315 14.224 -15.069 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -15.380 14.300 -13.880 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -19.742 16.020 -16.923 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -19.379 16.875 -17.156 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -19.210 15.728 -16.182 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -13.539 16.671 -14.753 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -14.141 16.116 -15.248 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -13.258 17.338 -15.379 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -9.491 17.528 -27.947 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -8.748 18.114 -28.087 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -10.186 18.096 -27.614 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -19.904 14.160 -29.701 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -19.665 13.412 -30.249 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -20.173 13.772 -28.869 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -26.555 17.596 -12.558 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -26.015 17.379 -11.799 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -27.036 16.790 -12.748 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -21.958 16.515 -10.938 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -21.190 16.056 -10.597 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -21.979 16.289 -11.868 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -17.866 16.023 -29.563 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -18.510 15.392 -29.241 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -17.104 15.492 -29.795 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -15.381 14.895 -12.209 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -15.732 14.039 -11.966 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -14.655 15.038 -11.602 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -13.262 15.840 -29.329 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -12.979 15.046 -28.876 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -12.522 16.073 -29.890 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -19.993 11.376 -12.171 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -20.321 11.647 -13.029 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -19.841 10.435 -12.259 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -16.955 12.797 -29.736 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -17.223 12.977 -28.835 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -17.161 11.871 -29.867 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -16.849 10.086 -11.532 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -15.896 10.170 -11.560 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -17.009 9.375 -10.913 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -20.189 18.656 -27.902 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -19.256 18.814 -27.758 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -20.453 19.331 -28.527 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -11.539 12.932 -10.997 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -12.405 12.827 -10.603 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -11.163 13.691 -10.550 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -25.430 14.594 -12.442 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -26.251 14.769 -12.902 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -25.682 14.521 -11.521 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -22.476 15.569 -16.183 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -22.901 16.378 -16.466 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -21.571 15.654 -16.485 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -15.820 18.253 -13.980 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -15.143 17.621 -14.220 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -15.498 18.655 -13.172 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -25.074 18.825 -16.136 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -25.794 19.265 -16.587 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -25.440 18.574 -15.287 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -22.607 18.425 -17.106 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -23.472 18.497 -16.702 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -22.662 18.972 -17.890 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -17.896 18.313 -17.930 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -18.353 18.842 -18.584 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -17.733 18.916 -17.205 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -15.569 17.191 -16.985 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -16.473 17.356 -17.251 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -15.140 18.044 -17.051 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -12.964 18.761 -16.690 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -13.146 19.677 -16.901 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -12.788 18.351 -17.537 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -17.544 17.882 -27.657 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -16.678 18.248 -27.835 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -17.791 17.442 -28.470 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -11.617 16.196 -12.827 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -12.399 16.010 -13.347 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -11.689 17.125 -12.610 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -17.134 9.337 -0.522 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -17.172 8.691 0.183 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -17.457 8.871 -1.293 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -24.766 8.952 1.071 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -24.724 8.326 1.795 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -24.063 9.575 1.253 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -27.232 7.062 -5.001 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -27.680 7.908 -5.019 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -27.793 6.482 -5.516 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -26.522 9.224 -2.875 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -26.308 8.454 -2.348 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -25.784 9.313 -3.478 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -15.604 6.164 0.212 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -15.461 5.217 0.232 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -15.710 6.371 -0.717 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -25.829 6.662 -1.754 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -25.175 6.112 -1.322 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -25.805 6.388 -2.670 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -20.673 8.212 -2.538 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -20.057 7.686 -2.029 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -21.259 7.572 -2.942 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -24.045 5.075 -0.489 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -23.432 5.708 -0.116 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -23.533 4.603 -1.146 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -26.541 12.494 -6.585 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -26.813 12.723 -7.474 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -26.496 13.332 -6.125 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -11.819 12.364 3.739 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -11.679 11.773 3.000 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -11.651 13.237 3.383 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -17.346 9.326 -6.489 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -18.058 9.861 -6.840 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -16.655 9.382 -7.149 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -17.292 7.784 -9.450 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -16.591 7.806 -8.799 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -16.990 7.156 -10.106 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -14.043 7.710 3.531 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -13.963 8.473 4.103 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -14.644 7.989 2.840 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -22.295 10.166 -3.654 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -22.625 9.796 -4.473 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -21.707 9.496 -3.308 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -15.069 8.698 -7.852 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -14.490 8.848 -7.105 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -14.655 9.169 -8.575 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -24.128 9.532 3.925 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -24.058 10.183 4.623 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -25.019 9.635 3.590 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -23.305 9.236 -6.065 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -23.597 10.004 -6.556 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -23.979 8.576 -6.228 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -10.181 14.814 -9.662 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -10.108 15.753 -9.492 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -9.276 14.509 -9.719 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -27.212 11.599 2.750 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -27.713 11.571 1.935 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -27.206 10.693 3.060 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -9.264 15.045 5.316 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -9.313 14.090 5.279 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -10.090 15.313 5.718 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -13.592 9.731 -10.222 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -13.550 9.508 -11.152 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -12.743 10.129 -10.032 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -22.253 6.358 0.884 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -22.895 6.317 1.593 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -22.216 7.284 0.646 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -22.256 6.579 -4.204 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -23.149 6.238 -4.263 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -21.805 6.202 -4.960 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -16.720 6.995 -5.387 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -17.129 7.810 -5.679 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -16.000 6.855 -6.002 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -17.618 7.170 6.101 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -18.181 6.466 6.421 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -16.792 7.050 6.568 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -15.716 6.441 -2.573 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -15.911 7.046 -3.288 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -15.534 5.607 -3.008 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -24.503 6.678 2.751 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -24.541 7.078 3.619 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -24.994 5.861 2.841 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -16.452 8.079 2.098 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -16.128 7.448 1.455 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -16.892 7.544 2.759 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -22.519 6.830 -9.068 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -23.061 6.450 -9.759 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -21.685 7.024 -9.497 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -18.354 6.794 -1.231 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -17.790 6.247 -1.778 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -18.502 6.272 -0.442 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -19.728 5.182 1.183 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -20.563 5.636 1.293 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -19.204 5.458 1.935 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -12.034 10.528 1.654 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -11.392 10.985 1.111 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -12.864 10.641 1.192 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -14.568 6.076 -7.272 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -13.676 5.939 -6.953 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -14.511 6.867 -7.809 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -27.051 9.151 3.952 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -26.828 8.733 4.784 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -27.653 8.538 3.530 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -20.034 8.668 6.165 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -20.330 8.502 5.270 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -19.103 8.448 6.155 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -9.719 12.086 5.259 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -10.571 12.324 4.892 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -9.129 12.069 4.506 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -11.387 15.072 -7.113 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -11.760 14.246 -6.803 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -11.110 14.889 -8.010 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -14.227 9.880 -0.091 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -15.155 9.648 -0.118 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -13.776 9.103 -0.421 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -13.995 13.048 -9.292 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -13.642 12.668 -8.488 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -14.944 12.955 -9.206 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -9.491 17.528 -9.091 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -8.748 18.114 -9.231 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -10.186 18.096 -8.758 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -24.514 10.983 -7.879 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -25.200 11.335 -7.312 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -23.991 11.746 -8.125 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -18.162 6.011 3.517 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -18.043 6.585 4.274 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -17.507 5.323 3.632 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -13.356 7.669 -1.552 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -14.153 7.254 -1.881 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -12.911 6.978 -1.061 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -23.898 13.597 -8.982 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -23.306 14.296 -8.706 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -23.439 13.164 -9.701 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -12.269 16.925 0.070 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -12.425 17.603 -0.587 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -11.337 16.997 0.273 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -13.262 15.840 -10.473 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -12.979 15.046 -10.020 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -12.522 16.073 -11.034 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -22.307 11.750 -10.616 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -22.243 10.956 -10.085 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -21.654 11.631 -11.305 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -14.258 11.292 4.068 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -13.513 11.880 3.948 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -15.015 11.874 4.131 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -25.816 8.606 6.672 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -25.408 7.749 6.551 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -26.076 8.621 7.593 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -21.158 9.722 -8.310 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -21.617 9.238 -7.624 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -20.903 9.054 -8.946 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -21.869 7.615 4.046 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -22.487 8.290 4.327 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -21.525 7.936 3.213 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -20.087 7.965 -10.047 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -20.267 7.811 -10.975 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -19.136 8.073 -10.003 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -16.849 10.086 7.324 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -15.896 10.170 7.296 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -17.009 9.375 7.943 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -10.697 10.320 -10.602 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -10.970 9.895 -11.415 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -10.657 11.251 -10.819 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -21.529 4.970 5.129 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -21.379 4.241 4.526 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -21.527 5.747 4.570 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -13.803 9.383 5.967 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -14.084 10.092 5.389 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -12.860 9.310 5.816 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -23.051 6.168 7.040 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -23.818 5.636 6.830 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -22.372 5.858 6.441 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -26.621 13.292 -9.563 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -25.707 13.371 -9.290 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -26.614 12.605 -10.230 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -11.539 12.932 7.859 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -12.405 12.827 8.253 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -11.163 13.691 8.306 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -10.238 11.189 -6.627 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -9.388 11.610 -6.499 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -10.233 10.449 -6.019 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -9.844 9.242 -4.803 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -10.570 8.763 -4.405 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -9.263 9.448 -4.071 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -10.085 12.027 0.145 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -9.251 11.649 -0.136 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -9.973 12.970 0.026 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -9.576 9.143 -8.412 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -10.097 9.500 -9.131 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -9.609 9.818 -7.734 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -12.057 7.763 -4.240 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -12.207 6.818 -4.260 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -12.411 8.044 -3.396 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -27.022 9.841 -0.230 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -26.838 9.759 -1.165 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -26.173 9.717 0.194 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -11.201 9.733 5.399 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -10.618 8.999 5.590 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -10.637 10.505 5.445 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -27.899 6.423 -0.129 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -27.407 6.202 -0.919 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -27.537 7.264 0.152 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -26.408 16.672 -7.198 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -27.093 16.634 -7.866 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -26.405 17.585 -6.910 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -24.590 17.592 -10.173 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -24.858 17.879 -9.300 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -23.819 17.046 -10.021 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -23.842 13.402 18.462 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -24.212 12.600 18.093 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -22.901 13.233 18.509 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -16.317 17.381 16.848 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -15.697 16.704 16.575 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -16.525 17.163 17.756 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -18.745 11.770 18.740 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -18.441 11.084 18.146 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -18.023 11.888 19.358 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -16.270 12.683 13.958 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -16.566 12.361 13.107 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -16.594 13.583 14.000 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -21.070 10.859 20.702 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -21.810 11.457 20.805 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -20.356 11.413 20.386 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -22.662 12.823 21.489 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -22.668 13.702 21.111 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -23.516 12.740 21.914 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -26.541 12.494 12.271 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -26.813 12.723 11.382 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -26.496 13.332 12.731 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -14.664 15.897 15.609 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -14.239 15.190 15.124 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -14.347 16.698 15.192 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -13.505 13.798 14.118 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -13.762 13.108 13.506 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -13.434 13.355 14.963 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -17.292 7.784 9.406 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -16.591 7.806 10.057 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -16.990 7.156 8.750 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -22.295 10.166 15.202 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -22.625 9.796 14.383 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -21.707 9.496 15.548 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -20.928 13.594 17.883 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -21.023 13.016 17.126 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -20.199 13.223 18.379 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -15.619 14.438 19.569 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -15.860 15.100 20.217 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -15.817 13.604 19.994 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -17.343 15.435 14.439 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -16.869 15.730 15.217 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -17.906 16.173 14.206 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -22.809 15.406 24.316 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -22.801 15.270 23.368 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -23.725 15.288 24.568 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -23.305 9.236 12.791 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -23.597 10.004 12.300 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -23.979 8.576 12.628 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -10.181 14.814 9.194 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -10.108 15.753 9.364 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -9.276 14.509 9.137 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -27.461 14.379 18.490 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -26.515 14.235 18.471 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -27.574 15.163 19.027 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -15.100 17.471 12.606 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -16.035 17.571 12.785 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -14.820 16.762 13.184 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -24.963 12.922 22.649 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -24.746 12.561 23.509 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -25.818 12.548 22.439 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -13.592 9.731 8.634 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -13.550 9.508 7.704 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -12.743 10.129 8.824 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -22.519 6.830 9.788 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -23.061 6.450 9.097 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -21.685 7.024 9.359 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -19.184 11.395 11.724 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -19.928 10.888 11.401 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -19.318 11.444 12.670 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -24.059 10.690 17.493 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.314 10.688 16.892 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -23.981 9.866 17.975 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -17.058 12.854 10.749 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -17.353 13.680 11.131 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -17.761 12.234 10.945 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -11.387 15.072 11.743 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -11.760 14.246 12.053 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -11.110 14.889 10.846 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -25.929 9.070 9.485 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -25.313 9.697 9.864 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -26.791 9.386 9.756 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -20.257 11.871 14.474 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -20.498 12.796 14.516 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -20.997 11.412 14.870 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -19.742 16.020 20.789 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -19.379 16.875 20.556 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -19.210 15.728 21.530 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -13.995 13.048 9.564 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -13.642 12.668 10.368 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -14.944 12.955 9.650 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -25.766 15.709 20.801 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -25.549 14.777 20.770 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -25.519 15.983 21.685 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -24.514 10.983 10.977 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -25.200 11.335 11.544 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -23.991 11.746 10.731 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -25.582 6.261 8.990 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -25.627 7.200 9.169 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -26.470 6.025 8.720 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -12.269 16.925 18.926 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -12.425 17.603 18.269 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -11.337 16.997 19.129 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -25.844 14.983 13.824 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -26.676 15.456 13.851 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -25.298 15.493 13.225 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -21.158 9.722 10.546 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -21.617 9.238 11.232 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -20.903 9.054 9.910 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -20.087 7.965 8.809 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -20.267 7.811 7.881 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -19.136 8.073 8.853 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -10.697 10.320 8.254 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -10.970 9.895 7.441 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -10.657 11.251 8.037 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -27.972 18.685 14.370 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -28.619 18.223 13.837 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -27.617 18.013 14.953 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -9.553 17.575 19.155 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -9.575 17.760 20.094 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -8.863 18.144 18.814 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -9.576 9.143 10.444 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -10.097 9.500 9.725 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -9.609 9.818 11.122 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -12.815 17.665 14.727 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -12.162 17.318 14.119 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -12.304 18.154 15.373 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -22.476 15.569 21.529 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -22.901 16.378 21.246 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -21.571 15.654 21.227 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -25.074 18.825 21.576 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -25.794 19.265 21.125 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -25.440 18.574 22.425 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -17.896 18.313 19.782 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -18.353 18.842 19.128 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -17.733 18.916 20.507 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -15.569 17.191 20.727 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -16.473 17.356 20.461 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -15.140 18.044 20.661 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -12.964 18.761 21.022 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -13.146 19.677 20.811 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -12.788 18.351 20.175 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -10.835 17.445 12.735 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -11.029 16.697 12.170 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -10.874 18.203 12.151 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -16.067 28.938 -41.653 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -15.978 29.882 -41.785 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -16.706 28.663 -42.311 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -24.766 27.808 -36.641 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -24.724 27.182 -35.917 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -24.063 28.431 -36.459 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -13.428 31.132 -39.932 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -13.869 30.412 -39.482 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -13.441 31.853 -39.302 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -23.842 32.258 -38.106 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -24.212 31.456 -38.475 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -22.901 32.089 -38.059 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -10.082 22.227 -36.967 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -10.033 22.837 -36.231 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -9.656 22.688 -37.690 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -22.449 23.121 -40.228 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -22.406 23.981 -40.646 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -22.907 22.569 -40.861 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -14.727 23.252 -41.827 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -14.081 22.923 -41.202 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -14.217 23.770 -42.450 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -20.673 27.068 -40.250 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -20.057 26.542 -39.741 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -21.259 26.428 -40.654 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -23.639 22.039 -36.154 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -23.858 22.569 -36.920 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -24.307 22.266 -35.506 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -16.270 31.539 -42.610 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -16.566 31.217 -43.461 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -16.594 32.439 -42.568 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -12.963 22.543 -39.846 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -13.178 21.777 -39.314 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -12.307 23.015 -39.333 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -24.045 23.931 -38.201 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -23.432 24.564 -37.828 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -23.533 23.459 -38.858 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -22.662 31.679 -35.079 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -22.668 32.558 -35.457 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -23.516 31.596 -34.654 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -12.916 32.972 -37.584 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -13.858 33.030 -37.423 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -12.640 33.878 -37.721 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -11.819 31.220 -33.973 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -11.679 30.629 -34.712 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -11.651 32.093 -34.329 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -9.977 27.560 -35.907 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -10.629 28.255 -35.818 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -9.512 27.770 -36.717 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -22.295 29.022 -41.366 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -22.625 28.652 -42.185 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -21.707 28.352 -41.020 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -20.928 32.450 -38.685 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.023 31.872 -39.442 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -20.199 32.079 -38.189 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -21.928 27.791 -37.733 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -21.363 27.912 -38.496 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -21.609 28.428 -37.094 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -15.619 33.294 -36.999 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -15.860 33.956 -36.351 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -15.817 32.460 -36.574 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -24.128 28.388 -33.787 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -24.058 29.039 -33.089 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -25.019 28.491 -34.122 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -22.809 34.262 -32.252 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -22.801 34.126 -33.200 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -23.725 34.144 -32.000 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -9.264 33.901 -32.396 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -9.313 32.946 -32.433 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -10.090 34.169 -31.994 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -24.963 31.778 -33.919 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -24.746 31.417 -33.059 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -25.818 31.404 -34.129 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -22.344 20.248 -37.923 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -23.205 20.161 -38.331 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -22.366 21.104 -37.496 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -22.253 25.214 -36.828 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -22.895 25.173 -36.119 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -22.216 26.140 -37.066 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -22.256 25.435 -41.916 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -23.149 25.094 -41.975 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -21.805 25.058 -42.672 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -16.720 25.851 -43.099 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -17.129 26.666 -43.391 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -16.000 25.711 -43.714 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -15.716 25.297 -40.285 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -15.911 25.902 -41.000 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -15.534 24.463 -40.720 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -24.503 25.534 -34.961 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -24.541 25.934 -34.093 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -24.994 24.717 -34.871 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -19.674 22.862 -40.830 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -20.585 22.919 -40.541 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -19.169 22.802 -40.019 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -11.982 37.769 -31.289 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -11.782 38.193 -32.124 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -11.326 38.112 -30.682 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -24.384 30.243 -31.681 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -23.651 30.497 -31.120 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -25.164 30.447 -31.166 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -23.352 21.786 -42.525 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -23.669 20.884 -42.560 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -22.571 21.788 -43.077 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -19.728 24.038 -36.529 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -20.563 24.492 -36.419 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -19.204 24.314 -35.777 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -24.059 29.546 -39.075 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -23.314 29.544 -39.676 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -23.981 28.722 -38.593 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -9.719 30.942 -32.453 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -10.571 31.180 -32.820 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -9.129 30.925 -33.206 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -20.257 30.727 -42.094 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -20.498 31.652 -42.052 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -20.997 30.268 -41.698 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -19.742 34.876 -35.779 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -19.379 35.731 -36.012 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -19.210 34.584 -35.038 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -13.539 35.527 -33.609 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -14.141 34.972 -34.104 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -13.258 36.194 -34.235 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -15.898 22.153 -44.215 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -15.678 22.625 -45.018 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -15.340 22.548 -43.544 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -18.698 23.881 -43.380 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -17.886 24.385 -43.334 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -18.943 23.736 -42.466 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -17.814 20.962 -42.442 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -18.161 21.580 -41.797 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -17.156 21.463 -42.923 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -13.356 26.525 -39.264 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -14.153 26.110 -39.593 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -12.911 25.834 -38.773 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -24.774 19.899 -38.905 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -25.003 19.958 -39.832 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -25.217 19.107 -38.598 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -26.555 36.452 -31.414 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -26.015 36.235 -30.655 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -27.036 35.646 -31.604 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -26.648 30.262 -30.460 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -26.504 29.360 -30.746 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -27.421 30.548 -30.948 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -25.816 27.462 -31.040 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -25.408 26.605 -31.161 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -26.076 27.477 -30.119 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -21.869 26.471 -33.666 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -22.487 27.146 -33.385 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -21.525 26.792 -34.499 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -21.529 23.826 -32.583 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -21.379 23.097 -33.186 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -21.527 24.603 -33.142 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -21.117 22.196 -35.091 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -20.581 22.647 -35.743 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -21.969 22.088 -35.513 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -23.051 25.024 -30.672 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -23.818 24.492 -30.882 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -22.372 24.714 -31.271 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -20.089 18.946 -31.988 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -19.377 18.306 -32.002 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -20.190 19.213 -32.902 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -19.736 20.629 -29.934 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -19.867 20.153 -30.755 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -20.335 21.373 -29.990 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -10.085 30.883 -37.567 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -9.251 30.505 -37.848 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -9.973 31.826 -37.686 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -11.598 33.761 -35.260 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -12.246 34.086 -34.635 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -12.116 33.321 -35.935 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -12.057 26.619 -41.952 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -12.207 25.674 -41.972 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -12.411 26.900 -41.108 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -9.704 26.492 -31.629 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -10.567 26.113 -31.794 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -9.100 25.753 -31.703 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -11.735 24.783 -38.054 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -10.802 24.995 -38.088 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -11.970 24.885 -37.131 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -9.423 19.500 -29.924 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -9.073 18.846 -30.530 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -9.276 20.337 -30.364 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -11.733 21.465 -43.441 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -11.551 21.016 -42.616 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -12.333 20.880 -43.905 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -25.430 33.450 -31.298 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -26.251 33.625 -31.758 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -25.682 33.377 -30.377 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -22.476 34.425 -35.039 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -22.901 35.234 -35.322 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -21.571 34.510 -35.341 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -18.165 35.824 -32.080 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -17.980 35.490 -31.202 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -17.318 36.133 -32.402 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -15.820 37.109 -32.836 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -15.143 36.477 -33.076 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -15.498 37.511 -32.028 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -17.896 37.169 -36.786 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -18.353 37.698 -37.440 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -17.733 37.772 -36.061 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -15.569 36.047 -35.841 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -16.473 36.212 -36.107 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -15.140 36.900 -35.907 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -20.981 35.484 -38.578 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -20.768 34.596 -38.865 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -20.916 35.450 -37.623 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -12.330 19.255 -39.321 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -11.726 19.803 -39.822 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -13.199 19.575 -39.561 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -10.603 20.394 -40.987 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -9.991 19.880 -41.514 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -10.220 21.272 -40.964 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -20.566 19.709 -41.798 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -19.692 20.097 -41.828 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -20.702 19.494 -40.875 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -13.656 19.765 -44.456 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -14.359 20.379 -44.666 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -14.101 18.927 -44.325 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -19.422 21.789 -44.908 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -19.244 21.143 -44.225 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -19.476 22.623 -44.441 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -23.215 19.647 -30.558 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -22.316 19.373 -30.743 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -23.601 18.904 -30.094 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -11.617 35.052 -31.683 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -12.399 34.866 -32.203 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -11.689 35.981 -31.466 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -16.067 28.938 -22.797 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -15.978 29.882 -22.929 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -16.706 28.663 -23.455 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -17.134 28.193 -19.378 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -17.172 27.547 -18.673 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -17.457 27.727 -20.149 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -24.766 27.808 -17.785 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -24.724 27.182 -17.061 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -24.063 28.431 -17.603 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -13.428 31.132 -21.076 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -13.869 30.412 -20.626 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -13.441 31.853 -20.446 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -26.522 28.080 -21.731 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -26.308 27.310 -21.204 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -25.784 28.169 -22.334 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -15.604 25.020 -18.644 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -15.461 24.073 -18.624 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -15.710 25.227 -19.573 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -14.727 23.252 -22.971 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -14.081 22.923 -22.346 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -14.217 23.770 -23.594 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -25.829 25.518 -20.610 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -25.175 24.968 -20.178 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -25.805 25.244 -21.526 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -20.673 27.068 -21.394 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -20.057 26.542 -20.885 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -21.259 26.428 -21.798 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -23.639 22.039 -17.298 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -23.858 22.569 -18.064 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -24.307 22.266 -16.650 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -21.070 29.715 -17.010 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -21.810 30.313 -16.907 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -20.356 30.269 -17.326 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -22.662 31.679 -16.223 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -22.668 32.558 -16.601 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -23.516 31.596 -15.798 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -26.541 31.350 -25.441 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -26.813 31.579 -26.330 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -26.496 32.188 -24.981 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -12.916 32.972 -18.728 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -13.858 33.030 -18.567 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -12.640 33.878 -18.865 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -12.616 21.258 -17.311 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -13.352 21.869 -17.349 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -11.932 21.673 -17.837 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -19.613 19.345 -19.845 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -19.730 18.396 -19.899 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -20.468 19.677 -19.572 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -11.819 31.220 -15.117 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -11.679 30.629 -15.856 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -11.651 32.093 -15.473 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -17.346 28.182 -25.345 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -18.058 28.717 -25.696 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -16.655 28.238 -26.005 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -13.940 28.392 -24.393 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.672 28.620 -23.820 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -13.493 27.678 -23.938 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -14.043 26.566 -15.325 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -13.963 27.329 -14.753 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -14.644 26.845 -16.016 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -22.295 29.022 -22.510 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -22.625 28.652 -23.329 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -21.707 28.352 -22.164 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -21.928 27.791 -18.877 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -21.363 27.912 -19.640 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -21.609 28.428 -18.238 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -21.048 32.190 -14.160 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -21.360 32.972 -13.704 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -21.698 32.037 -14.846 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -24.128 28.388 -14.931 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -24.058 29.039 -14.233 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -25.019 28.491 -15.266 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -22.809 34.262 -13.396 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -22.801 34.126 -14.344 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -23.725 34.144 -13.144 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -11.371 19.304 -26.895 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -12.270 19.443 -26.600 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -11.119 20.135 -27.297 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -23.305 28.092 -24.921 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -23.597 28.860 -25.412 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -23.979 27.432 -25.084 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -10.181 33.670 -28.518 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -10.108 34.609 -28.348 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -9.276 33.365 -28.575 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -27.212 30.455 -16.106 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -27.713 30.427 -16.921 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -27.206 29.549 -15.796 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -27.461 33.235 -19.222 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -26.515 33.091 -19.241 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -27.574 34.019 -18.685 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -9.264 33.901 -13.540 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -9.313 32.946 -13.577 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -10.090 34.169 -13.138 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -12.112 25.394 -13.060 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -12.519 25.875 -13.780 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -12.071 24.489 -13.367 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -24.963 31.778 -15.063 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -24.746 31.417 -14.203 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -25.818 31.404 -15.273 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -22.344 20.248 -19.067 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -23.205 20.161 -19.475 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -22.366 21.104 -18.640 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -14.355 23.726 -14.839 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -14.869 23.600 -14.042 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -14.510 24.638 -15.084 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -18.019 22.463 -28.408 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -18.273 22.482 -27.485 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -18.276 21.591 -28.709 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -22.253 25.214 -17.972 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -22.895 25.173 -17.263 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -22.216 26.140 -18.210 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -22.256 25.435 -23.060 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -23.149 25.094 -23.119 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -21.805 25.058 -23.816 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -16.720 25.851 -24.243 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -17.129 26.666 -24.535 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -16.000 25.711 -24.858 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -15.716 25.297 -21.429 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -15.911 25.902 -22.144 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -15.534 24.463 -21.864 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -24.503 25.534 -16.105 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -24.541 25.934 -15.237 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -24.994 24.717 -16.015 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -21.137 22.908 -29.307 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -21.568 22.463 -28.577 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -21.855 23.280 -29.819 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -16.452 26.935 -16.758 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -16.128 26.304 -17.401 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.892 26.400 -16.097 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -21.193 24.491 -25.491 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -20.261 24.620 -25.313 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -21.408 25.161 -26.140 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -15.269 22.097 -18.710 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -15.946 22.228 -18.046 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -15.755 21.942 -19.520 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -22.519 25.686 -27.924 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -23.061 25.306 -28.615 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -21.685 25.880 -28.353 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -24.384 30.243 -12.825 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -23.651 30.497 -12.264 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -25.164 30.447 -12.310 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -19.728 24.038 -17.673 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -20.563 24.492 -17.563 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -19.204 24.314 -16.921 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -12.034 29.384 -17.202 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -11.392 29.841 -17.745 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -12.864 29.497 -17.664 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -17.664 30.435 -14.751 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -18.010 30.054 -13.945 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -17.864 31.369 -14.680 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -14.568 24.932 -26.128 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -13.676 24.795 -25.809 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -14.511 25.723 -26.665 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -9.683 25.142 -26.434 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -10.237 24.746 -27.106 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -9.582 26.052 -26.711 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -9.719 30.942 -13.597 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -10.571 31.180 -13.964 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -9.129 30.925 -14.350 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -14.227 28.736 -18.947 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -15.155 28.504 -18.974 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -13.776 27.959 -19.277 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.929 27.926 -28.227 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -25.313 28.553 -27.848 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -26.791 28.242 -27.956 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -16.198 30.975 -17.222 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -16.624 30.748 -16.396 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -15.617 30.237 -17.405 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -9.491 36.384 -27.947 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -8.748 36.970 -28.087 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -10.186 36.952 -27.614 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -25.417 22.760 -15.346 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -26.310 23.099 -15.413 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -25.516 21.905 -14.928 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -13.129 30.577 -25.922 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -13.406 29.849 -25.366 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -12.202 30.696 -25.716 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -25.766 34.565 -16.911 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -25.549 33.633 -16.942 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -25.519 34.839 -16.027 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -24.514 29.839 -26.735 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -25.200 30.191 -26.168 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -23.991 30.602 -26.981 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -16.682 22.501 -16.456 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -15.984 22.575 -15.806 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -17.063 21.637 -16.301 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -15.898 22.153 -25.359 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -15.678 22.625 -26.162 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -15.340 22.548 -24.688 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -18.698 23.881 -24.524 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -17.886 24.385 -24.478 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -18.943 23.736 -23.610 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -18.162 24.867 -15.339 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -18.043 25.441 -14.582 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -17.507 24.179 -15.224 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -11.958 22.774 -14.504 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -12.874 23.037 -14.592 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -11.622 22.771 -15.401 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -12.269 35.781 -18.786 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -12.425 36.459 -19.443 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -11.337 35.853 -18.583 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -25.844 33.839 -23.888 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -26.676 34.312 -23.861 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -25.298 34.349 -24.487 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -26.555 36.452 -12.558 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -26.015 36.235 -11.799 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -27.036 35.646 -12.748 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -21.958 35.371 -10.938 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -21.190 34.912 -10.597 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -21.979 35.145 -11.868 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -26.648 30.262 -11.604 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -26.504 29.360 -11.890 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -27.421 30.548 -12.092 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -19.993 30.232 -12.171 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -20.321 30.503 -13.029 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -19.841 29.291 -12.259 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -14.258 30.148 -14.788 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -13.513 30.736 -14.908 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -15.015 30.730 -14.725 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -25.816 27.462 -12.184 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -25.408 26.605 -12.305 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -26.076 27.477 -11.263 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -21.869 26.471 -14.810 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -22.487 27.146 -14.529 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -21.525 26.792 -15.643 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -16.849 28.942 -11.532 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -15.896 29.026 -11.560 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -17.009 28.231 -10.913 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -21.117 22.196 -16.235 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -20.581 22.647 -16.887 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -21.969 22.088 -16.657 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -19.535 27.635 -15.995 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -18.784 27.479 -16.568 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -19.874 28.487 -16.271 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -13.803 28.239 -12.889 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -14.084 28.948 -13.467 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -12.860 28.166 -13.040 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -26.621 32.148 -28.419 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -25.707 32.227 -28.146 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -26.614 31.461 -29.086 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -27.972 37.541 -23.342 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -28.619 37.079 -23.875 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -27.617 36.869 -22.759 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -27.102 35.622 -21.537 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -27.436 34.741 -21.365 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -26.880 35.967 -20.673 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -9.553 36.431 -18.557 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -9.575 36.616 -17.618 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -8.863 37.000 -18.898 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -9.990 35.998 -15.635 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -10.477 35.263 -16.006 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -9.441 35.605 -14.957 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -11.539 31.788 -10.997 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -12.405 31.683 -10.603 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -11.163 32.547 -10.550 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -10.238 30.045 -25.483 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -9.388 30.466 -25.355 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -10.233 29.305 -24.875 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -9.844 28.098 -23.659 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -10.570 27.619 -23.261 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -9.263 28.304 -22.927 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -11.598 33.761 -16.404 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -12.246 34.086 -15.779 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -12.116 33.321 -17.079 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -9.576 27.999 -27.268 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -10.097 28.356 -27.987 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -9.609 28.674 -26.590 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -11.227 25.239 -28.717 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -11.130 25.906 -29.397 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -11.367 24.423 -29.199 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -12.057 26.619 -23.096 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -12.207 25.674 -23.116 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -12.411 26.900 -22.252 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -27.022 28.697 -19.086 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -26.838 28.615 -20.021 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -26.173 28.573 -18.662 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -11.201 28.589 -13.457 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -10.618 27.855 -13.266 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -10.637 29.361 -13.411 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -9.704 26.492 -12.773 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -10.567 26.113 -12.938 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -9.100 25.753 -12.847 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -12.347 24.202 -24.634 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -12.067 23.295 -24.509 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -11.588 24.636 -25.023 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -27.424 23.968 -12.945 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.505 23.846 -12.709 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -27.874 23.218 -12.556 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -9.423 19.500 -11.068 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -9.073 18.846 -11.674 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -9.276 20.337 -11.508 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -11.733 21.465 -24.585 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -11.551 21.016 -23.760 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -12.333 20.880 -25.049 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -9.903 21.609 -12.719 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -10.820 21.880 -12.755 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -9.780 21.074 -13.503 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -9.867 21.532 -28.057 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -9.454 20.811 -28.533 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -9.185 22.202 -27.999 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -25.430 33.450 -12.442 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -26.251 33.625 -12.902 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -25.682 33.377 -11.521 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -22.476 34.425 -16.183 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -22.901 35.234 -16.466 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -21.571 34.510 -16.485 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -25.074 37.681 -16.136 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -25.794 38.121 -16.587 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -25.440 37.430 -15.287 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -22.607 37.281 -17.106 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -23.472 37.353 -16.702 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -22.662 37.828 -17.890 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -25.659 36.304 -19.225 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -25.678 35.879 -18.368 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -24.854 35.986 -19.634 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -13.656 19.765 -25.600 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -14.359 20.379 -25.810 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -14.101 18.927 -25.469 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -26.408 35.528 -26.054 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -27.093 35.490 -26.722 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -26.405 36.441 -25.766 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -19.422 21.789 -26.052 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -19.244 21.143 -25.369 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -19.476 22.623 -25.585 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -25.188 20.296 -13.238 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -25.554 19.531 -12.795 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -24.275 20.325 -12.951 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -24.590 36.448 -29.029 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -24.858 36.735 -28.156 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -23.819 35.902 -28.877 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -10.181 33.670 -9.662 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -10.108 34.609 -9.492 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -9.276 33.365 -9.719 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -9.264 33.901 5.316 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -9.313 32.946 5.279 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -10.090 34.169 5.718 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -13.592 28.587 -10.222 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -13.550 28.364 -11.152 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -12.743 28.985 -10.032 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -11.982 37.769 6.423 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -11.782 38.193 5.588 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -11.326 38.112 7.030 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -9.683 25.142 -7.578 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -10.237 24.746 -8.250 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -9.582 26.052 -7.855 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -25.929 27.926 -9.371 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -25.313 28.553 -8.992 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -26.791 28.242 -9.100 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -13.995 31.904 -9.292 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -13.642 31.524 -8.488 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -14.944 31.811 -9.206 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -13.539 35.527 4.103 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -14.141 34.972 3.608 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -13.258 36.194 3.477 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -9.491 36.384 -9.091 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -8.748 36.970 -9.231 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -10.186 36.952 -8.758 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -13.129 30.577 -7.066 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -13.406 29.849 -6.510 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -12.202 30.696 -6.860 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -19.904 33.016 -10.845 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -19.665 32.268 -11.393 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -20.173 32.628 -10.013 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -26.555 36.452 6.298 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -26.015 36.235 7.057 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -27.036 35.646 6.108 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -15.381 33.751 6.647 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -15.732 32.895 6.890 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -14.655 33.894 7.254 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -22.307 30.606 -10.616 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -22.243 29.812 -10.085 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -21.654 30.487 -11.305 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -16.955 31.653 -10.880 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -17.223 31.833 -9.979 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -17.161 30.727 -11.011 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -10.697 29.176 -10.602 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -10.970 28.751 -11.415 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -10.657 30.107 -10.819 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -26.621 32.148 -9.563 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -25.707 32.227 -9.290 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -26.614 31.461 -10.230 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -9.553 36.431 0.299 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -9.575 36.616 1.238 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -8.863 37.000 -0.042 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -9.990 35.998 3.221 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -10.477 35.263 2.850 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -9.441 35.605 3.899 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -10.238 30.045 -6.627 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -9.388 30.466 -6.499 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -10.233 29.305 -6.019 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -11.598 33.761 2.452 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -12.246 34.086 3.077 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -12.116 33.321 1.777 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -9.576 27.999 -8.412 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -10.097 28.356 -9.131 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -9.609 28.674 -7.734 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -11.227 25.239 -9.861 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -11.130 25.906 -10.541 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -11.367 24.423 -10.343 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -9.867 21.532 -9.201 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -9.454 20.811 -9.677 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -9.185 22.202 -9.143 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -18.165 35.824 5.632 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -17.980 35.490 6.510 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -17.318 36.133 5.310 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -15.820 37.109 4.876 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -15.143 36.477 4.636 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -15.498 37.511 5.684 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -24.590 36.448 -10.173 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -24.858 36.735 -9.300 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -23.819 35.902 -10.021 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -11.617 35.052 6.029 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -12.399 34.866 5.509 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -11.689 35.981 6.246 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -24.766 27.808 19.927 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -24.724 27.182 20.651 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -24.063 28.431 20.109 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -15.604 25.020 19.068 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -15.461 24.073 19.088 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -15.710 25.227 18.139 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -14.727 23.252 14.741 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -14.081 22.923 15.366 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -14.217 23.770 14.118 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -23.639 22.039 20.414 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -23.858 22.569 19.648 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -24.307 22.266 21.062 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -21.070 29.715 20.702 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -21.810 30.313 20.805 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -20.356 30.269 20.386 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -12.916 32.972 18.984 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -13.858 33.030 19.145 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -12.640 33.878 18.847 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -12.616 21.258 20.401 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -13.352 21.869 20.363 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -11.932 21.673 19.875 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -11.819 31.220 22.595 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -11.679 30.629 21.856 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -11.651 32.093 22.239 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -14.043 26.566 22.387 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -13.963 27.329 22.959 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -14.644 26.845 21.696 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -15.619 33.294 19.569 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -15.860 33.956 20.217 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -15.817 32.460 19.994 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -21.048 32.190 23.552 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -21.360 32.972 24.008 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -21.698 32.037 22.866 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -24.128 28.388 22.781 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -24.058 29.039 23.479 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -25.019 28.491 22.446 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -22.809 34.262 24.316 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -22.801 34.126 23.368 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -23.725 34.144 24.568 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -10.181 33.670 9.194 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -10.108 34.609 9.364 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -9.276 33.365 9.137 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -27.212 30.455 21.606 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -27.713 30.427 20.791 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -27.206 29.549 21.916 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -18.285 33.475 23.048 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -18.198 34.301 23.523 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -19.149 33.145 23.297 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -24.217 36.036 14.635 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -24.065 35.688 15.514 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -25.068 35.680 14.380 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -12.112 25.394 24.652 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -12.519 25.875 23.932 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -12.071 24.489 24.345 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -24.963 31.778 22.649 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -24.746 31.417 23.509 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -25.818 31.404 22.439 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -17.681 19.970 22.019 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -17.261 19.555 22.772 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -18.614 19.792 22.136 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.355 23.726 22.873 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.869 23.600 23.670 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -14.510 24.638 22.628 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -15.716 25.297 16.283 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -15.911 25.902 15.568 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -15.534 24.463 15.848 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -24.503 25.534 21.607 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -24.541 25.934 22.475 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -24.994 24.717 21.697 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -16.452 26.935 20.954 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -16.128 26.304 20.311 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -16.892 26.400 21.615 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -15.269 22.097 19.002 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -15.946 22.228 19.666 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -15.755 21.942 18.192 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -24.384 30.243 24.887 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -23.651 30.497 25.448 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -25.164 30.447 25.402 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -19.728 24.038 20.039 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -20.563 24.492 20.149 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -19.204 24.314 20.791 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -17.664 30.435 22.961 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -18.010 30.054 23.767 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -17.864 31.369 23.032 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -14.568 24.932 11.584 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -13.676 24.795 11.903 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -14.511 25.723 11.047 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -27.051 28.007 22.808 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -26.828 27.589 23.640 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -27.653 27.394 22.386 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -9.719 30.942 24.115 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -10.571 31.180 23.748 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -9.129 30.925 23.362 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -19.742 34.876 20.789 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -19.379 35.731 20.556 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -19.210 34.584 21.530 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -16.198 30.975 20.490 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -16.624 30.748 21.316 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -15.617 30.237 20.307 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -9.491 36.384 9.765 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -8.748 36.970 9.625 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -10.186 36.952 10.098 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -25.417 22.760 22.366 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -26.310 23.099 22.299 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -25.516 21.905 22.784 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -16.682 22.501 21.256 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -15.984 22.575 21.906 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -17.063 21.637 21.411 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -18.162 24.867 22.373 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -18.043 25.441 23.130 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -17.507 24.179 22.488 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.958 22.774 23.208 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -12.874 23.037 23.120 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -11.622 22.771 22.311 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -12.269 35.781 18.926 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -12.425 36.459 18.269 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -11.337 35.853 19.129 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -26.555 36.452 25.154 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -26.015 36.235 25.913 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -27.036 35.646 24.964 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -14.258 30.148 22.924 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -13.513 30.736 22.804 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -15.015 30.730 22.987 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -21.869 26.471 22.902 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -22.487 27.146 23.183 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -21.525 26.792 22.069 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -21.117 22.196 21.477 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -20.581 22.647 20.825 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -21.969 22.088 21.055 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -19.535 27.635 21.717 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -18.784 27.479 21.144 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -19.874 28.487 21.441 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -13.803 28.239 24.823 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -14.084 28.948 24.245 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -12.860 28.166 24.672 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -20.311 19.652 21.909 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -20.409 20.599 21.803 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -21.054 19.280 21.433 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -27.102 35.622 16.175 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -27.436 34.741 16.347 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -26.880 35.967 17.039 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -9.553 36.431 19.155 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -9.575 36.616 20.094 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -8.863 37.000 18.814 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -10.085 30.883 19.001 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -9.251 30.505 18.720 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -9.973 31.826 18.882 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -11.598 33.761 21.308 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -12.246 34.086 21.933 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -12.116 33.321 20.633 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -27.022 28.697 18.626 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -26.838 28.615 17.691 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -26.173 28.573 19.050 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -11.201 28.589 24.255 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -10.618 27.855 24.446 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -10.637 29.361 24.301 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -9.704 26.492 24.939 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -10.567 26.113 24.774 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -9.100 25.753 24.865 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -12.347 24.202 13.078 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -12.067 23.295 13.203 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -11.588 24.636 12.689 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -27.899 25.279 18.727 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -27.407 25.058 17.937 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -27.537 26.120 19.008 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -9.903 21.609 24.993 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -10.820 21.880 24.957 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -9.780 21.074 24.209 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -27.622 20.275 21.126 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -28.287 20.029 21.769 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -28.065 20.897 20.549 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -25.430 33.450 25.270 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -26.251 33.625 24.810 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -25.682 33.377 26.191 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -10.902 19.699 22.812 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -11.715 20.024 22.424 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -10.669 18.939 22.279 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -25.074 37.681 21.576 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -25.794 38.121 21.125 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -25.440 37.430 22.425 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -17.896 37.169 19.782 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -18.353 37.698 19.128 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -17.733 37.772 20.507 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -15.569 36.047 20.727 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -16.473 36.212 20.461 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -15.140 36.900 20.661 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -12.964 37.617 21.022 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -13.146 38.533 20.811 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -12.788 37.207 20.175 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -17.472 21.148 17.135 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -18.147 20.519 17.390 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -16.908 20.664 16.532 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -12.330 19.255 17.247 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -11.726 19.803 16.746 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -13.199 19.575 17.007 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -15.009 19.739 16.419 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -14.933 19.834 15.470 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -15.285 18.831 16.548 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -16.849 47.798 -30.388 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -15.896 47.882 -30.416 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -17.009 47.087 -29.769 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -15.119 44.306 -29.823 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -14.927 43.375 -29.934 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -14.262 44.731 -29.833 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -16.331 41.957 -32.020 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -17.279 41.989 -31.888 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -16.019 41.332 -31.366 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -14.697 40.591 -30.015 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -14.794 39.639 -30.021 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -15.019 40.860 -29.154 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -20.089 37.802 -31.988 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -19.377 37.162 -32.002 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -20.190 38.069 -32.902 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -19.736 39.485 -29.934 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -19.867 39.009 -30.755 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -20.335 40.229 -29.990 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -9.423 38.356 -29.924 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -9.073 37.702 -30.530 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -9.276 39.193 -30.364 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -23.215 38.503 -30.558 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -22.316 38.229 -30.743 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -23.601 37.760 -30.094 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -14.793 37.835 -30.376 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -14.717 37.409 -29.522 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -13.900 37.849 -30.718 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -24.766 46.664 -17.785 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -24.724 46.038 -17.061 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -24.063 47.287 -17.603 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -13.428 49.988 -21.076 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -13.869 49.268 -20.626 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -13.441 50.709 -20.446 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -23.842 51.114 -19.250 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -24.212 50.312 -19.619 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -22.901 50.945 -19.203 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -26.522 46.936 -21.731 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -26.308 46.166 -21.204 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -25.784 47.025 -22.334 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -10.082 41.083 -18.111 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -10.033 41.693 -17.375 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -9.656 41.544 -18.834 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -22.449 41.977 -21.372 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -22.406 42.837 -21.790 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -22.907 41.425 -22.005 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -25.829 44.374 -20.610 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -25.175 43.824 -20.178 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -25.805 44.100 -21.526 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -9.690 42.561 -15.875 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -10.379 43.219 -15.970 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -9.675 42.364 -14.938 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -23.639 40.895 -17.298 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -23.858 41.425 -18.064 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -24.307 41.122 -16.650 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -16.270 50.395 -23.754 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -16.566 50.073 -24.605 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -16.594 51.295 -23.712 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -12.963 41.399 -20.990 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -13.178 40.633 -20.458 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -12.307 41.871 -20.477 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -24.045 42.787 -19.345 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -23.432 43.420 -18.972 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -23.533 42.315 -20.002 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -12.916 51.828 -18.728 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -13.858 51.886 -18.567 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -12.640 52.734 -18.865 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -12.616 40.114 -17.311 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -13.352 40.725 -17.349 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -11.932 40.529 -17.837 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -14.664 53.609 -22.103 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -14.239 52.902 -22.588 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -14.347 54.410 -22.520 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -13.505 51.510 -23.594 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -13.762 50.820 -24.206 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -13.434 51.067 -22.749 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -11.819 50.076 -15.117 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -11.679 49.485 -15.856 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -11.651 50.949 -15.473 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -17.292 45.496 -28.306 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -16.591 45.518 -27.655 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -16.990 44.868 -28.962 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -9.977 46.416 -17.051 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -10.629 47.111 -16.962 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -9.512 46.626 -17.861 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -22.295 47.878 -22.510 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -22.625 47.508 -23.329 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -21.707 47.208 -22.164 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -15.619 52.150 -18.143 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -15.860 52.812 -17.495 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -15.817 51.316 -17.718 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -15.069 46.410 -26.708 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -14.490 46.560 -25.961 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -14.655 46.881 -27.431 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -24.128 47.244 -14.931 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -24.058 47.895 -14.233 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -25.019 47.347 -15.266 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -17.343 53.147 -23.273 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -16.869 53.442 -22.495 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -17.906 53.885 -23.506 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -22.809 53.118 -13.396 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -22.801 52.982 -14.344 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -23.725 53.000 -13.144 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -23.305 46.948 -24.921 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -23.597 47.716 -25.412 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -23.979 46.288 -25.084 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -27.212 49.311 -16.106 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -27.713 49.283 -16.921 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -27.206 48.405 -15.796 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -27.461 52.091 -19.222 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -26.515 51.947 -19.241 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -27.574 52.875 -18.685 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -12.112 44.250 -13.060 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -12.519 44.731 -13.780 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -12.071 43.345 -13.367 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -24.963 50.634 -15.063 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -24.746 50.273 -14.203 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -25.818 50.260 -15.273 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -13.592 47.443 -29.078 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -13.550 47.220 -30.008 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -12.743 47.841 -28.888 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -18.019 41.319 -28.408 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -18.273 41.338 -27.485 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -18.276 40.447 -28.709 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -22.253 44.070 -17.972 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -22.895 44.029 -17.263 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -22.216 44.996 -18.210 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -22.256 44.291 -23.060 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -23.149 43.950 -23.119 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -21.805 43.914 -23.816 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -24.503 44.390 -16.105 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -24.541 44.790 -15.237 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -24.994 43.573 -16.015 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -21.137 41.764 -29.307 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -21.568 41.319 -28.577 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -21.855 42.136 -29.819 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -24.846 43.347 -23.147 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -25.735 43.447 -23.487 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -24.550 42.505 -23.493 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -21.193 43.347 -25.491 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -20.261 43.476 -25.313 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -21.408 44.017 -26.140 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -22.519 44.542 -27.924 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -23.061 44.162 -28.615 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -21.685 44.736 -28.353 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -24.384 49.099 -12.825 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -23.651 49.353 -12.264 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -25.164 49.303 -12.310 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -23.352 40.642 -23.669 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -23.669 39.740 -23.704 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -22.571 40.644 -24.221 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -19.184 49.107 -25.988 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -19.928 48.600 -26.311 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -19.318 49.156 -25.042 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -12.034 48.240 -17.202 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -11.392 48.697 -17.745 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -12.864 48.353 -17.664 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -15.286 41.921 -27.789 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -16.224 42.033 -27.940 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -14.989 42.778 -27.483 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -24.059 48.402 -20.219 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -23.314 48.400 -20.820 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -23.981 47.578 -19.737 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -17.058 50.566 -26.963 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -17.353 51.392 -26.581 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -17.761 49.946 -26.767 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -27.051 46.863 -14.904 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -26.828 46.445 -14.072 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -27.653 46.250 -15.326 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -15.414 51.753 -14.801 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -16.315 51.936 -15.069 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -15.380 52.012 -13.880 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -9.683 43.998 -26.434 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -10.237 43.602 -27.106 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -9.582 44.908 -26.711 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -14.227 47.592 -18.947 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -15.155 47.360 -18.974 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -13.776 46.815 -19.277 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -21.684 51.920 -22.814 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -21.157 52.693 -23.015 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -22.564 52.145 -23.116 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -20.257 49.583 -23.238 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -20.498 50.508 -23.196 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -20.997 49.124 -22.842 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -19.742 53.732 -16.923 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -19.379 54.587 -17.156 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -19.210 53.440 -16.182 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -16.198 49.831 -17.222 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -16.624 49.604 -16.396 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -15.617 49.093 -17.405 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -25.417 41.616 -15.346 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -26.310 41.955 -15.413 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -25.516 40.761 -14.928 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -13.129 49.433 -25.922 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -13.406 48.705 -25.366 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -12.202 49.552 -25.716 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -25.766 53.421 -16.911 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -25.549 52.489 -16.942 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -25.519 53.695 -16.027 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -22.157 40.881 -26.898 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -22.240 41.770 -26.552 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -21.267 40.616 -26.667 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -11.958 41.630 -14.504 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -12.874 41.893 -14.592 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -11.622 41.627 -15.401 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -13.356 45.381 -20.408 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -14.153 44.966 -20.737 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -12.911 44.690 -19.917 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -24.774 38.755 -20.049 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -25.003 38.814 -20.976 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -25.217 37.963 -19.742 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -21.958 54.227 -10.938 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -21.190 53.768 -10.597 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -21.979 54.001 -11.868 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -15.381 52.607 -12.209 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -15.732 51.751 -11.966 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -14.655 52.750 -11.602 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -26.648 49.118 -11.604 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -26.504 48.216 -11.890 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -27.421 49.404 -12.092 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -14.258 49.004 -14.788 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -13.513 49.592 -14.908 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -15.015 49.586 -14.725 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -21.158 47.434 -27.166 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -21.617 46.950 -26.480 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.903 46.766 -27.802 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -20.087 45.677 -28.903 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -20.267 45.523 -29.831 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -19.136 45.785 -28.859 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -13.803 47.095 -12.889 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -14.084 47.804 -13.467 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -12.860 47.022 -13.040 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -10.238 48.901 -25.483 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -9.388 49.322 -25.355 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -10.233 48.161 -24.875 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -9.844 46.954 -23.659 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -10.570 46.475 -23.261 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -9.263 47.160 -22.927 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -11.227 44.095 -28.717 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -11.130 44.762 -29.397 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -11.367 43.279 -29.199 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -12.057 45.475 -23.096 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -12.207 44.530 -23.116 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -12.411 45.756 -22.252 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -27.022 47.553 -19.086 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -26.838 47.471 -20.021 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -26.173 47.429 -18.662 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -11.201 47.445 -13.457 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -10.618 46.711 -13.266 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -10.637 48.217 -13.411 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -9.704 45.348 -12.773 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -10.567 44.969 -12.938 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -9.100 44.609 -12.847 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -11.979 41.503 -29.600 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -11.369 41.131 -28.963 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -12.816 41.081 -29.404 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -12.347 43.058 -24.634 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -12.067 42.151 -24.509 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -11.588 43.492 -25.023 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -11.735 43.639 -19.198 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -10.802 43.851 -19.232 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -11.970 43.741 -18.275 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -11.706 44.376 -16.422 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -12.549 44.644 -16.056 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -11.263 45.198 -16.633 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -27.424 42.824 -12.945 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -26.505 42.702 -12.709 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -27.874 42.074 -12.556 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -9.423 38.356 -11.068 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -9.073 37.702 -11.674 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -9.276 39.193 -11.508 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -11.733 40.321 -24.585 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -11.551 39.872 -23.760 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -12.333 39.736 -25.049 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -26.203 41.136 -20.054 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -25.758 40.344 -19.752 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -25.737 41.852 -19.623 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -9.903 40.465 -12.719 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -10.820 40.736 -12.755 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -9.780 39.930 -13.503 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -9.867 40.388 -28.057 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -9.454 39.667 -28.533 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -9.185 41.058 -27.999 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -25.430 52.306 -12.442 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -26.251 52.481 -12.902 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -25.682 52.233 -11.521 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -18.165 54.680 -13.224 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -17.980 54.346 -12.346 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -17.318 54.989 -13.546 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -10.902 38.555 -14.900 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -11.715 38.880 -15.288 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -10.669 37.795 -15.433 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -25.074 56.537 -16.136 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -25.794 56.977 -16.587 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -25.440 56.286 -15.287 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -22.607 56.137 -17.106 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -23.472 56.209 -16.702 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -22.662 56.684 -17.890 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -17.896 56.025 -17.930 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -18.353 56.554 -18.584 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -17.733 56.628 -17.205 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -15.569 54.903 -16.985 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -16.473 55.068 -17.251 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -15.140 55.756 -17.051 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -25.659 55.160 -19.225 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -25.678 54.735 -18.368 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -24.854 54.842 -19.634 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -23.518 53.870 -20.570 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -23.737 52.954 -20.401 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -22.694 54.010 -20.104 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -20.981 54.340 -19.722 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -20.768 53.452 -20.009 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -20.916 54.306 -18.767 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -12.330 38.111 -20.465 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -11.726 38.659 -20.966 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -13.199 38.431 -20.705 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -10.603 39.250 -22.131 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -9.991 38.736 -22.658 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -10.220 40.128 -22.108 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -25.146 38.638 -22.755 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -25.923 38.404 -23.263 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -24.615 37.841 -22.747 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -26.309 38.436 -26.952 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -25.870 39.047 -27.543 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -26.943 38.974 -26.478 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -24.448 40.352 -28.509 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -23.957 39.722 -29.037 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -23.825 40.648 -27.846 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -19.422 40.645 -26.052 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -19.244 39.999 -25.369 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -19.476 41.479 -25.585 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -25.188 39.152 -13.238 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -25.554 38.387 -12.795 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -24.275 39.181 -12.951 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -23.215 38.503 -11.702 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -22.316 38.229 -11.887 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -23.601 37.760 -11.238 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -16.067 47.794 -3.941 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -15.978 48.738 -4.073 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -16.706 47.519 -4.599 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -17.134 47.049 -0.522 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -17.172 46.403 0.183 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -17.457 46.583 -1.293 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -24.766 46.664 1.071 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -24.724 46.038 1.795 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -24.063 47.287 1.253 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -13.428 49.988 -2.220 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -13.869 49.268 -1.770 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -13.441 50.709 -1.590 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -27.232 44.774 -5.001 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -27.680 45.620 -5.019 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -27.793 44.194 -5.516 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -26.522 46.936 -2.875 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -26.308 46.166 -2.348 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -25.784 47.025 -3.478 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -10.082 41.083 0.745 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -10.033 41.693 1.481 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -9.656 41.544 0.022 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -25.829 44.374 -1.754 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -25.175 43.824 -1.322 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -25.805 44.100 -2.670 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -20.673 45.924 -2.538 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -20.057 45.398 -2.029 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -21.259 45.284 -2.942 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -9.690 42.561 2.981 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -10.379 43.219 2.886 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -9.675 42.364 3.918 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -16.270 50.395 -4.898 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -16.566 50.073 -5.749 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -16.594 51.295 -4.856 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -26.541 50.206 -6.585 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -26.813 50.435 -7.474 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -26.496 51.044 -6.125 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -17.346 47.038 -6.489 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -18.058 47.573 -6.840 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -16.655 47.094 -7.149 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -9.977 46.416 1.805 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -10.629 47.111 1.894 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -9.512 46.626 0.995 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -13.940 47.248 -5.537 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -14.672 47.476 -4.964 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -13.493 46.534 -5.082 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -14.043 45.422 3.531 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -13.963 46.185 4.103 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -14.644 45.701 2.840 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -22.295 47.878 -3.654 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -22.625 47.508 -4.473 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -21.707 47.208 -3.308 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -21.928 46.647 -0.021 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -21.363 46.768 -0.784 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -21.609 47.284 0.618 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -23.305 46.948 -6.065 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -23.597 47.716 -6.556 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -23.979 46.288 -6.228 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -12.112 44.250 5.796 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -12.519 44.731 5.076 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -12.071 43.345 5.489 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -13.592 47.443 -10.222 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -13.550 47.220 -11.152 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -12.743 47.841 -10.032 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -22.253 44.070 0.884 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -22.895 44.029 1.593 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -22.216 44.996 0.646 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -22.256 44.291 -4.204 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -23.149 43.950 -4.263 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -21.805 43.914 -4.960 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -17.618 44.882 6.101 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -18.181 44.178 6.421 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -16.792 44.762 6.568 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -24.503 44.390 2.751 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -24.541 44.790 3.619 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -24.994 43.573 2.841 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -27.895 41.506 -3.399 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -27.264 41.477 -2.679 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -27.445 41.081 -4.129 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -26.620 42.252 -7.975 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -26.146 42.843 -8.560 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -27.338 42.783 -7.628 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -16.452 45.791 2.098 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -16.128 45.160 1.455 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -16.892 45.256 2.759 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -24.846 43.347 -4.291 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.735 43.447 -4.631 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -24.550 42.505 -4.637 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -18.354 44.506 -1.231 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -17.790 43.959 -1.778 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -18.502 43.984 -0.442 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -19.728 42.894 1.183 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -20.563 43.348 1.293 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -19.204 43.170 1.935 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -19.184 49.107 -7.132 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -19.928 48.600 -7.455 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -19.318 49.156 -6.186 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -12.034 48.240 1.654 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -11.392 48.697 1.111 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -12.864 48.353 1.192 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -17.058 50.566 -8.107 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -17.353 51.392 -7.725 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -17.761 49.946 -7.911 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -20.034 46.380 6.165 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -20.330 46.214 5.270 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -19.103 46.160 6.155 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -14.227 47.592 -0.091 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -15.155 47.360 -0.118 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -13.776 46.815 -0.421 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -20.257 49.583 -4.382 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -20.498 50.508 -4.340 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -20.997 49.124 -3.986 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -13.995 50.760 -9.292 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -13.642 50.380 -8.488 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -14.944 50.667 -9.206 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -25.417 41.616 3.510 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -26.310 41.955 3.443 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -25.516 40.761 3.928 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -13.129 49.433 -7.066 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -13.406 48.705 -6.510 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -12.202 49.552 -6.860 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -19.904 51.872 -10.845 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -19.665 51.124 -11.393 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -20.173 51.484 -10.013 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -20.967 51.442 -8.389 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -20.820 50.922 -7.599 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -20.970 52.349 -8.083 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -24.514 48.695 -7.879 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -25.200 49.047 -7.312 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -23.991 49.458 -8.125 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -18.162 43.723 3.517 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -18.043 44.297 4.274 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -17.507 43.035 3.632 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -13.356 45.381 -1.552 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -14.153 44.966 -1.881 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -12.911 44.690 -1.061 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -23.898 51.309 -8.982 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -23.306 52.008 -8.706 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -23.439 50.876 -9.701 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -17.866 53.735 -10.707 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -18.510 53.104 -10.385 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -17.104 53.204 -10.939 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -22.307 49.462 -10.616 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -22.243 48.668 -10.085 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -21.654 49.343 -11.305 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -16.955 50.509 -10.880 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.223 50.689 -9.979 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -17.161 49.583 -11.011 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -14.258 49.004 4.068 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -13.513 49.592 3.948 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -15.015 49.586 4.131 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -21.869 45.327 4.046 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -22.487 46.002 4.327 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -21.525 45.648 3.213 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -16.849 47.798 7.324 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -15.896 47.882 7.296 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -17.009 47.087 7.943 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -10.697 48.032 -10.602 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -10.970 47.607 -11.415 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -10.657 48.963 -10.819 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -21.529 42.682 5.129 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -21.379 41.953 4.526 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -21.527 43.459 4.570 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -21.117 41.052 2.621 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -20.581 41.503 1.969 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -21.969 40.944 2.199 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -19.535 46.491 2.861 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -18.784 46.335 2.288 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -19.874 47.343 2.585 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -15.119 44.306 7.889 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -14.927 43.375 7.778 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -14.262 44.731 7.879 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -13.803 47.095 5.967 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -14.084 47.804 5.389 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -12.860 47.022 5.816 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -23.051 43.880 7.040 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -23.818 43.348 6.830 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -22.372 43.570 6.441 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -24.870 41.801 6.745 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -24.659 41.094 6.134 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -24.982 41.363 7.589 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -26.621 51.004 -9.563 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -25.707 51.083 -9.290 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -26.614 50.317 -10.230 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -10.238 48.901 -6.627 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -9.388 49.322 -6.499 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -10.233 48.161 -6.019 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -9.576 46.855 -8.412 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -10.097 47.212 -9.131 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -9.609 47.530 -7.734 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -11.201 47.445 5.399 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -10.618 46.711 5.590 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -10.637 48.217 5.445 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -9.704 45.348 6.083 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -10.567 44.969 5.918 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -9.100 44.609 6.009 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -11.735 43.639 -0.342 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -10.802 43.851 -0.376 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -11.970 43.741 0.581 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -11.706 44.376 2.434 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -12.549 44.644 2.800 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -11.263 45.198 2.223 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -9.423 38.356 7.788 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -9.073 37.702 7.182 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -9.276 39.193 7.348 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -27.899 44.135 -0.129 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -27.407 43.914 -0.919 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -27.537 44.976 0.152 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -9.903 40.465 6.137 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -10.820 40.736 6.101 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -9.780 39.930 5.353 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -27.622 39.131 2.270 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -28.287 38.885 2.913 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -28.065 39.753 1.693 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -10.902 38.555 3.956 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -11.715 38.880 3.568 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -10.669 37.795 3.423 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -24.448 40.352 -9.653 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -23.957 39.722 -10.181 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -23.825 40.648 -8.990 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -25.188 39.152 5.618 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -25.554 38.387 6.061 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -24.275 39.181 5.905 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -14.793 37.835 7.336 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -14.717 37.409 8.190 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -13.900 37.849 6.994 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -22.449 41.977 16.340 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -22.406 42.837 15.922 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -22.907 41.425 15.707 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -14.727 42.108 14.741 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -14.081 41.779 15.366 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -14.217 42.626 14.118 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -23.639 40.895 20.414 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -23.858 41.425 19.648 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -24.307 41.122 21.062 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -12.963 41.399 16.722 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -13.178 40.633 17.254 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -12.307 41.871 17.235 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -19.613 38.201 17.867 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -19.730 37.252 17.813 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -20.468 38.533 18.140 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -17.346 47.038 12.367 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -18.058 47.573 12.016 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -16.655 47.094 11.707 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -17.292 45.496 9.406 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -16.591 45.518 10.057 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -16.990 44.868 8.750 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -15.069 46.410 11.004 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -14.490 46.560 11.751 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -14.655 46.881 10.281 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -11.371 38.160 10.817 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -12.270 38.299 11.112 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -11.119 38.991 10.415 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -23.305 46.948 12.791 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -23.597 47.716 12.300 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -23.979 46.288 12.628 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -22.344 39.104 18.645 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -23.205 39.017 18.237 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -22.366 39.960 19.072 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -22.256 44.291 14.652 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -23.149 43.950 14.593 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -21.805 43.914 13.896 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -16.720 44.707 13.469 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -17.129 45.522 13.177 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -16.000 44.567 12.854 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -27.895 41.506 15.457 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -27.264 41.477 16.177 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -27.445 41.081 14.727 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -26.620 42.252 10.881 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -26.146 42.843 10.296 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -27.338 42.783 11.228 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -19.674 41.718 15.738 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -20.585 41.775 16.027 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -19.169 41.658 16.549 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -24.846 43.347 14.565 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -25.735 43.447 14.225 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -24.550 42.505 14.219 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -22.519 44.542 9.788 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -23.061 44.162 9.097 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -21.685 44.736 9.359 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -23.352 40.642 14.043 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -23.669 39.740 14.008 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -22.571 40.644 13.491 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -14.568 43.788 11.584 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -13.676 43.651 11.903 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -14.511 44.579 11.047 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -15.898 41.009 12.353 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -15.678 41.481 11.550 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -15.340 41.404 13.024 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -18.698 42.737 13.188 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -17.886 43.241 13.234 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -18.943 42.592 14.102 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -25.582 43.973 8.990 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -25.627 44.912 9.169 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -26.470 43.737 8.720 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -24.774 38.755 17.663 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -25.003 38.814 16.736 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -25.217 37.963 17.970 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -21.158 47.434 10.546 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -21.617 46.950 11.232 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -20.903 46.766 9.910 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -20.087 45.677 8.809 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -20.267 45.523 7.881 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -19.136 45.785 8.853 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -21.117 41.052 21.477 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -20.581 41.503 20.825 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -21.969 40.944 21.055 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -20.311 38.508 21.909 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -20.409 39.455 21.803 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -21.054 38.136 21.433 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -20.089 37.802 24.580 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -19.377 37.162 24.566 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -20.190 38.069 23.666 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -11.227 44.095 8.995 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -11.130 44.762 8.315 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -11.367 43.279 8.513 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -11.979 41.503 8.112 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -11.369 41.131 8.749 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -12.816 41.081 8.308 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -11.733 40.321 13.127 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -11.551 39.872 13.952 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -12.333 39.736 12.663 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -26.203 41.136 17.658 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -25.758 40.344 17.960 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -25.737 41.852 18.089 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -9.867 40.388 9.655 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -9.454 39.667 9.179 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -9.185 41.058 9.713 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -27.586 40.393 12.782 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -28.511 40.602 12.652 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -27.132 40.877 12.092 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -27.622 39.131 21.126 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -28.287 38.885 21.769 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -28.065 39.753 20.549 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -17.472 40.004 17.135 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -18.147 39.375 17.390 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -16.908 39.520 16.532 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -12.330 38.111 17.247 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -11.726 38.659 16.746 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -13.199 38.431 17.007 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -10.603 39.250 15.581 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -9.991 38.736 15.054 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -10.220 40.128 15.604 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -25.146 38.638 14.957 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -25.923 38.404 14.449 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -24.615 37.841 14.965 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -26.309 38.436 10.760 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -25.870 39.047 10.169 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -26.943 38.974 11.234 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -15.009 38.595 16.419 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -14.933 38.690 15.470 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -15.285 37.687 16.548 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -24.448 40.352 9.203 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -23.957 39.722 8.675 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -23.825 40.648 9.866 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -25.188 39.152 24.474 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -25.554 38.387 24.917 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -24.275 39.181 24.761 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -20.311 57.364 -15.803 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -20.409 58.311 -15.909 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -21.054 56.992 -16.279 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -20.089 56.658 -13.132 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -19.377 56.018 -13.146 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -20.190 56.925 -14.046 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -7.699 17.596 -31.414 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -7.159 17.379 -30.655 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -8.180 16.790 -31.604 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -6.218 18.825 -34.992 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -6.938 19.265 -35.443 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -6.584 18.574 -34.143 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 6.874 18.913 -12.433 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 7.074 19.337 -13.268 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 7.530 19.256 -11.826 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 2.789 10.082 -3.941 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 2.878 11.026 -4.073 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 2.150 9.807 -4.599 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -5.910 8.952 1.071 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -5.868 8.326 1.795 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -5.207 9.575 1.253 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 5.428 12.276 -2.220 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 4.987 11.556 -1.770 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 5.415 12.997 -1.590 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -4.986 13.402 -0.394 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -5.356 12.600 -0.763 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -4.045 13.233 -0.347 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 3.252 6.164 0.212 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 3.395 5.217 0.232 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 3.146 6.371 -0.717 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -1.817 8.212 -2.538 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -1.201 7.686 -2.029 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -2.403 7.572 -2.942 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 9.166 4.849 2.981 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 8.477 5.507 2.886 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 9.181 4.652 3.918 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 2.586 12.683 -4.898 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 2.290 12.361 -5.749 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 2.262 13.583 -4.856 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -3.806 12.823 2.633 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -3.812 13.702 2.255 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -4.660 12.740 3.058 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -7.685 12.494 -6.585 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -7.957 12.723 -7.474 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -7.640 13.332 -6.125 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 5.351 13.798 -4.738 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 5.094 13.108 -5.350 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 5.422 13.355 -3.893 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 1.510 9.326 -6.489 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 0.798 9.861 -6.840 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 2.201 9.382 -7.149 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 4.916 9.536 -5.537 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 4.184 9.764 -4.964 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 5.363 8.822 -5.082 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 4.813 7.710 3.531 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 4.893 8.473 4.103 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 4.212 7.989 2.840 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -3.439 10.166 -3.654 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -3.769 9.796 -4.473 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -2.851 9.496 -3.308 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -3.072 8.935 -0.021 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -2.507 9.056 -0.784 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -2.753 9.572 0.618 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -5.272 9.532 3.925 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -5.202 10.183 4.623 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -6.163 9.635 3.590 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -3.953 15.406 5.460 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -3.945 15.270 4.512 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -4.869 15.288 5.712 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -4.449 9.236 -6.065 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -4.741 10.004 -6.556 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -5.123 8.576 -6.228 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 8.675 14.814 -9.662 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 8.748 15.753 -9.492 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 9.580 14.509 -9.719 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -8.356 11.599 2.750 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -8.857 11.571 1.935 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -8.350 10.693 3.060 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -8.605 14.379 -0.366 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -7.659 14.235 -0.385 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -8.718 15.163 0.171 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 9.592 15.045 5.316 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 9.543 14.090 5.279 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 8.766 15.313 5.718 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -5.361 17.180 -4.221 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -5.209 16.832 -3.342 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -6.212 16.824 -4.476 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 4.087 17.545 -8.999 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 4.462 16.801 -9.470 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 4.091 17.275 -8.081 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 6.744 6.538 5.796 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 6.337 7.019 5.076 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 6.785 5.633 5.489 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -6.107 12.922 3.793 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -5.890 12.561 4.653 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -6.962 12.548 3.583 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 4.501 4.870 4.017 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 3.987 4.744 4.814 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 4.346 5.782 3.772 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -3.397 6.358 0.884 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -4.039 6.317 1.593 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -3.360 7.284 0.646 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -3.400 6.579 -4.204 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -4.293 6.238 -4.263 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -2.949 6.202 -4.960 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 2.136 6.995 -5.387 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 1.727 7.810 -5.679 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 2.856 6.855 -6.002 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 1.238 7.170 6.101 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 0.675 6.466 6.421 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 2.064 7.050 6.568 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 3.140 6.441 -2.573 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 2.945 7.046 -3.288 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 3.322 5.607 -3.008 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -5.647 6.678 2.751 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -5.685 7.078 3.619 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -6.138 5.861 2.841 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 2.404 8.079 2.098 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 2.728 7.448 1.455 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 1.964 7.544 2.759 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 0.502 6.794 -1.231 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 1.066 6.247 -1.778 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 0.354 6.272 -0.442 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -0.872 5.182 1.183 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -1.707 5.636 1.293 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -0.348 5.458 1.935 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -0.328 11.395 -7.132 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -1.072 10.888 -7.455 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -0.462 11.444 -6.186 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -5.203 10.690 -1.363 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -4.458 10.688 -1.964 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -5.125 9.866 -0.881 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 1.798 12.854 -8.107 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 1.503 13.680 -7.725 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 1.095 12.234 -7.911 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -8.195 9.151 3.952 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -7.972 8.733 4.784 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -8.797 8.538 3.530 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 7.469 15.072 -7.113 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 7.096 14.246 -6.803 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 7.746 14.889 -8.010 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -2.828 14.208 -3.958 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -2.301 14.981 -4.159 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -3.708 14.433 -4.260 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -2.717 16.893 -4.837 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -3.667 16.998 -4.785 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -2.366 17.713 -4.492 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 4.861 13.048 -9.292 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 5.214 12.668 -8.488 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 3.912 12.955 -9.206 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 9.365 17.528 -9.091 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 10.108 18.114 -9.231 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 8.670 18.096 -8.758 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 5.727 11.721 -7.066 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 5.450 10.993 -6.510 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 6.654 11.840 -6.860 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -6.910 15.709 1.945 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -6.693 14.777 1.914 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -6.663 15.983 2.829 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -2.111 13.730 -8.389 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -1.964 13.210 -7.599 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -2.114 14.637 -8.083 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 0.627 15.428 -7.640 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -0.190 15.925 -7.587 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 1.156 15.903 -8.280 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 0.694 6.011 3.517 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 0.813 6.585 4.274 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 1.349 5.323 3.632 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -2.035 16.471 -7.658 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -1.874 17.271 -8.159 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -2.232 16.778 -6.773 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 5.500 7.669 -1.552 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 4.703 7.254 -1.881 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 5.945 6.978 -1.061 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -6.988 14.983 -5.032 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -7.820 15.456 -5.005 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -6.442 15.493 -5.631 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -7.699 17.596 6.298 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -7.159 17.379 7.057 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -8.180 16.790 6.108 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 0.990 16.023 -10.707 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 0.346 15.392 -10.385 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 1.752 15.492 -10.939 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 5.594 15.840 -10.473 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 5.877 15.046 -10.020 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 6.334 16.073 -11.034 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -7.792 11.406 7.252 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -7.648 10.504 6.966 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -8.565 11.692 6.764 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -6.960 8.606 6.672 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -6.552 7.749 6.551 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -7.220 8.621 7.593 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -3.013 7.615 4.046 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -3.631 8.290 4.327 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -2.669 7.936 3.213 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -2.673 4.970 5.129 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -2.523 4.241 4.526 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -2.671 5.747 4.570 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -0.679 8.779 2.861 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 0.072 8.623 2.288 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -1.018 9.631 2.585 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 3.737 6.594 7.889 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 3.929 5.663 7.778 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 4.594 7.019 7.879 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 5.053 9.383 5.967 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 4.772 10.092 5.389 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 5.996 9.310 5.816 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -4.195 6.168 7.040 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -4.962 5.636 6.830 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -3.516 5.858 6.441 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -0.191 5.118 6.616 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -0.427 4.898 7.518 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -0.974 4.911 6.107 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -1.333 18.656 -9.046 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -0.400 18.814 -8.902 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -1.597 19.331 -9.671 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -9.116 18.685 -4.486 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -9.763 18.223 -5.019 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -8.761 18.013 -3.903 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -8.246 16.766 -2.681 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -8.580 15.885 -2.509 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -8.024 17.111 -1.817 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 9.303 17.575 0.299 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 9.281 17.760 1.238 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 9.993 18.144 -0.042 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 8.866 17.142 3.221 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 8.379 16.407 2.850 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 9.415 16.749 3.899 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 7.317 12.932 7.859 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 6.451 12.827 8.253 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 7.693 13.691 8.306 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 9.012 9.242 -4.803 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 8.286 8.763 -4.405 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 9.593 9.448 -4.071 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 6.799 7.763 -4.240 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 6.649 6.818 -4.260 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 6.445 8.044 -3.396 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 9.152 7.636 6.083 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 8.289 7.257 5.918 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 9.756 6.897 6.009 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 7.121 5.927 -0.342 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 8.054 6.139 -0.376 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 6.886 6.029 0.581 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 7.150 6.664 2.434 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 6.307 6.932 2.800 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 7.593 7.486 2.223 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -6.574 14.594 6.414 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -7.395 14.769 5.954 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -6.826 14.521 7.335 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -3.620 15.569 2.673 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -4.045 16.378 2.390 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -2.715 15.654 2.371 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -6.218 18.825 2.720 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -6.938 19.265 2.269 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -6.584 18.574 3.569 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -3.751 18.425 1.750 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -4.616 18.497 2.154 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -3.806 18.972 0.966 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.803 17.448 -0.369 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -6.822 17.023 0.488 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -5.998 17.130 -0.778 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -4.662 16.158 -1.714 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -4.881 15.242 -1.545 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -3.838 16.298 -1.248 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -7.552 16.672 -7.198 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -8.237 16.634 -7.866 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -7.549 17.585 -6.910 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 1.312 17.882 -8.801 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 2.178 18.248 -8.979 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 1.065 17.442 -9.614 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 2.789 10.082 14.915 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 2.878 11.026 14.783 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 2.150 9.807 14.257 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 1.722 9.337 18.334 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 1.684 8.691 19.039 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 1.399 8.871 17.563 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 5.428 12.276 16.636 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 4.987 11.556 17.086 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 5.415 12.997 17.266 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -4.986 13.402 18.462 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -5.356 12.600 18.093 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -4.045 13.233 18.509 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -7.666 9.224 15.981 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -7.452 8.454 16.508 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -6.928 9.313 15.378 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 2.539 17.381 16.848 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 3.159 16.704 16.575 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 2.331 17.163 17.756 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 0.111 11.770 18.740 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 0.415 11.084 18.146 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 0.833 11.888 19.358 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -1.817 8.212 16.318 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -1.201 7.686 16.827 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -2.403 7.572 15.914 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 2.586 12.683 13.958 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 2.290 12.361 13.107 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 2.262 13.583 14.000 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -2.214 10.859 20.702 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.954 11.457 20.805 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -1.500 11.413 20.386 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -3.806 12.823 21.489 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -3.812 13.702 21.111 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -4.660 12.740 21.914 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.685 12.494 12.271 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -7.957 12.723 11.382 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.640 13.332 12.731 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 4.192 15.897 15.609 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 4.617 15.190 15.124 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 4.509 16.698 15.192 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 5.351 13.798 14.118 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 5.094 13.108 13.506 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 5.422 13.355 14.963 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 1.510 9.326 12.367 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 0.798 9.861 12.016 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 2.201 9.382 11.707 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 1.564 7.784 9.406 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 2.265 7.806 10.057 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 1.866 7.156 8.750 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 4.916 9.536 13.319 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 4.184 9.764 13.892 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 5.363 8.822 13.774 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -3.439 10.166 15.202 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -3.769 9.796 14.383 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -2.851 9.496 15.548 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -3.072 8.935 18.835 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -2.507 9.056 18.072 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -2.753 9.572 19.474 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 3.237 14.438 19.569 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 2.996 15.100 20.217 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 3.039 13.604 19.994 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 3.787 8.698 11.004 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 4.366 8.848 11.751 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 4.201 9.169 10.281 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -4.449 9.236 12.791 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -4.741 10.004 12.300 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -5.123 8.576 12.628 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 8.675 14.814 9.194 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 8.748 15.753 9.364 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 9.580 14.509 9.137 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -8.605 14.379 18.490 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -7.659 14.235 18.471 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -8.718 15.163 19.027 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 0.571 14.619 23.048 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 0.658 15.445 23.523 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -0.293 14.289 23.297 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 3.756 17.471 12.606 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 2.821 17.571 12.785 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 4.036 16.762 13.184 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 5.264 9.731 8.634 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 5.306 9.508 7.704 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 6.113 10.129 8.824 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -3.400 6.579 14.652 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -4.293 6.238 14.593 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -2.949 6.202 13.896 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 2.136 6.995 13.469 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 1.727 7.810 13.177 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 2.856 6.855 12.854 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -2.281 4.052 8.405 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -2.712 3.607 9.135 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.999 4.424 7.893 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -2.337 5.635 12.221 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.405 5.764 12.399 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -2.552 6.305 11.572 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -3.663 6.830 9.788 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -4.205 6.450 9.097 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -2.829 7.024 9.359 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -5.203 10.690 17.493 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -4.458 10.688 16.892 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.125 9.866 17.975 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 7.469 15.072 11.743 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 7.096 14.246 12.053 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 7.746 14.889 10.846 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -7.073 9.070 9.485 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -6.457 9.697 9.864 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -7.935 9.386 9.756 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -0.886 16.020 20.789 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -0.523 16.875 20.556 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -0.354 15.728 21.530 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 2.658 12.119 20.490 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 2.232 11.892 21.316 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 3.239 11.381 20.307 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 9.365 17.528 9.765 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 10.108 18.114 9.625 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 8.670 18.096 10.098 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 5.727 11.721 11.790 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 5.450 10.993 12.346 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 6.654 11.840 11.996 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -6.910 15.709 20.801 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.693 14.777 20.770 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -6.663 15.983 21.685 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -5.658 10.983 10.977 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -6.344 11.335 11.544 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -5.135 11.746 10.731 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -6.726 6.261 8.990 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -6.771 7.200 9.169 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -7.614 6.025 8.720 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 8.159 10.320 8.254 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 7.886 9.895 7.441 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 8.199 11.251 8.037 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -7.765 13.292 9.293 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -6.851 13.371 9.566 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -7.758 12.605 8.626 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 6.041 17.665 14.727 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 6.694 17.318 14.119 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 6.552 18.154 15.373 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -3.620 15.569 21.529 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -4.045 16.378 21.246 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -2.715 15.654 21.227 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -6.218 18.825 21.576 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -6.938 19.265 21.125 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -6.584 18.574 22.425 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -3.751 18.425 20.606 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -4.616 18.497 21.010 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -3.806 18.972 19.822 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 0.960 18.313 19.782 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 0.503 18.842 19.128 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.123 18.916 20.507 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 3.287 17.191 20.727 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 2.383 17.356 20.461 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 3.716 18.044 20.661 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -6.803 17.448 18.487 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -6.822 17.023 19.344 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -5.998 17.130 18.078 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 8.021 17.445 12.735 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 7.827 16.697 12.170 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 7.982 18.203 12.151 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -8.356 30.455 -34.962 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -8.857 30.427 -35.777 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -8.350 29.549 -34.652 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -5.647 25.534 -34.961 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -5.685 25.934 -34.093 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -6.138 24.717 -34.871 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -9.039 22.650 -41.111 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -8.408 22.621 -40.391 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -8.589 22.225 -41.841 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -8.195 28.007 -33.760 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -7.972 27.589 -32.928 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -8.797 27.394 -34.182 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -6.561 22.760 -34.202 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -7.454 23.099 -34.269 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -6.660 21.905 -33.784 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -7.792 30.262 -30.460 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -7.648 29.360 -30.746 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -8.565 30.548 -30.948 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.960 27.462 -31.040 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -6.552 26.605 -31.161 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -7.220 27.477 -30.119 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -6.014 22.945 -30.967 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.803 22.238 -31.578 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -6.126 22.507 -30.123 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -8.166 28.697 -37.942 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -7.982 28.615 -38.877 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -7.317 28.573 -37.518 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -8.568 23.968 -31.801 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -7.649 23.846 -31.565 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -9.018 23.218 -31.412 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -7.347 22.280 -38.910 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -6.902 21.488 -38.608 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -6.881 22.996 -38.479 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.043 25.279 -37.841 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -8.551 25.058 -38.631 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -8.681 26.120 -37.560 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -8.766 20.275 -35.442 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -9.431 20.029 -34.799 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -9.209 20.897 -36.019 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -6.332 20.296 -32.094 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -6.698 19.531 -31.651 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -5.419 20.325 -31.807 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 9.166 23.705 -15.875 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 8.477 24.363 -15.970 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 9.181 23.508 -14.938 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -7.685 31.350 -25.441 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -7.957 31.579 -26.330 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -7.640 32.188 -24.981 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 7.037 31.220 -15.117 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 7.177 30.629 -15.856 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 7.205 32.093 -15.473 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 8.879 27.560 -17.051 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 8.227 28.255 -16.962 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 9.344 27.770 -17.861 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 4.813 26.566 -15.325 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 4.893 27.329 -14.753 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 4.212 26.845 -16.016 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -2.192 32.190 -14.160 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -2.504 32.972 -13.704 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -2.842 32.037 -14.846 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -8.605 33.235 -19.222 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -7.659 33.091 -19.241 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -8.718 34.019 -18.685 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 0.571 33.475 -14.664 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 0.658 34.301 -14.189 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -0.293 33.145 -14.415 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 4.501 23.726 -14.839 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 3.987 23.600 -14.042 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 4.346 24.638 -15.084 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 1.238 26.026 -12.755 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 0.675 25.322 -12.435 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 2.064 25.906 -12.288 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -7.764 23.396 -26.831 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -7.290 23.987 -27.416 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -8.482 23.927 -26.484 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 2.404 26.935 -16.758 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 2.728 26.304 -17.401 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 1.964 26.400 -16.097 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 6.822 29.384 -17.202 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 7.464 29.841 -17.745 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 5.992 29.497 -17.664 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 1.192 30.435 -14.751 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 0.846 30.054 -13.945 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 0.992 31.369 -14.680 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -1.178 27.524 -12.691 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -1.474 27.358 -13.586 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -0.247 27.304 -12.701 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 3.442 32.897 -14.801 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 2.541 33.080 -15.069 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 3.476 33.156 -13.880 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 4.629 28.736 -18.947 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 3.701 28.504 -18.974 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 5.080 27.959 -19.277 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -7.073 27.926 -28.227 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -6.457 28.553 -27.848 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -7.935 28.242 -27.956 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 2.658 30.975 -17.222 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 2.232 30.748 -16.396 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 3.239 30.237 -17.405 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 5.317 35.527 -14.753 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 4.715 34.972 -15.248 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 5.598 36.194 -15.379 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 0.694 24.867 -15.339 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 0.813 25.441 -14.582 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 1.349 24.179 -15.224 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 6.898 22.774 -14.504 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 5.982 23.037 -14.592 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 7.234 22.771 -15.401 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -6.726 25.117 -28.722 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -6.771 26.056 -28.543 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -7.614 24.881 -28.992 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -6.988 33.839 -23.888 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.820 34.312 -23.861 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -6.442 34.349 -24.487 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -7.699 36.452 -12.558 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -7.159 36.235 -11.799 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -8.180 35.646 -12.748 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -3.102 35.371 -10.938 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -2.334 34.912 -10.597 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -3.123 35.145 -11.868 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -1.137 30.232 -12.171 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -1.465 30.503 -13.029 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -0.985 29.291 -12.259 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 4.598 30.148 -14.788 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 5.343 30.736 -14.908 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 3.841 30.730 -14.725 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -0.191 23.974 -12.240 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -0.427 23.754 -11.338 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -0.974 23.767 -12.749 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 2.525 23.101 -13.164 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 1.577 23.133 -13.032 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 2.837 22.476 -12.510 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 4.159 21.735 -11.159 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 4.062 20.783 -11.165 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 3.837 22.004 -10.298 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -0.880 20.629 -11.078 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -1.011 20.153 -11.899 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -1.479 21.373 -11.134 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -7.765 32.148 -28.419 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -6.851 32.227 -28.146 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -7.758 31.461 -29.086 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -9.116 37.541 -23.342 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -9.763 37.079 -23.875 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -8.761 36.869 -22.759 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -8.246 35.622 -21.537 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -8.580 34.741 -21.365 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -8.024 35.967 -20.673 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 8.866 35.998 -15.635 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 8.379 35.263 -16.006 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 9.415 35.605 -14.957 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 8.771 30.883 -18.711 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 9.605 30.505 -18.992 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 8.883 31.826 -18.830 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 7.258 33.761 -16.404 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 6.610 34.086 -15.779 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 6.740 33.321 -17.079 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 7.150 25.520 -16.422 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 6.307 25.788 -16.056 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 7.593 26.342 -16.633 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -8.568 23.968 -12.945 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -7.649 23.846 -12.709 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -9.018 23.218 -12.556 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 9.433 19.500 -11.068 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 9.783 18.846 -11.674 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 9.580 20.337 -11.508 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 8.953 21.609 -12.719 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 8.036 21.880 -12.755 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 9.076 21.074 -13.503 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 0.691 35.824 -13.224 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 0.876 35.490 -12.346 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 1.538 36.133 -13.546 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 3.036 37.109 -13.980 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 3.713 36.477 -14.220 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 3.358 37.511 -13.172 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 3.287 36.047 -16.985 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 2.383 36.212 -17.251 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 3.716 36.900 -17.051 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 5.892 37.617 -16.690 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 5.710 38.533 -16.901 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 6.068 37.207 -17.537 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -7.552 35.528 -26.054 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -8.237 35.490 -26.722 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -7.549 36.441 -25.766 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 4.063 18.979 -11.520 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 4.139 18.553 -10.666 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 4.956 18.993 -11.862 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.910 27.808 1.071 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -5.868 27.182 1.795 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -5.207 28.431 1.253 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -4.986 32.258 -0.394 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -5.356 31.456 -0.763 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -4.045 32.089 -0.347 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -8.376 25.918 -5.001 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -8.824 26.764 -5.019 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -8.937 25.338 -5.516 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 0.111 30.626 -0.116 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 0.415 29.940 -0.710 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 0.833 30.744 0.502 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -6.973 25.518 -1.754 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -6.319 24.968 -1.322 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -6.949 25.244 -2.670 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -4.783 22.039 1.558 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -5.002 22.569 0.792 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -5.451 22.266 2.206 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -2.214 29.715 1.846 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -2.954 30.313 1.949 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -1.500 30.269 1.530 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -5.189 23.931 -0.489 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -4.576 24.564 -0.116 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -4.677 23.459 -1.146 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -3.806 31.679 2.633 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -3.812 32.558 2.255 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -4.660 31.596 3.058 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -7.685 31.350 -6.585 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -7.957 31.579 -7.474 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -7.640 32.188 -6.125 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 5.940 32.972 0.128 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 4.998 33.030 0.289 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 6.216 33.878 -0.009 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 7.037 31.220 3.739 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 7.177 30.629 3.000 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 7.205 32.093 3.383 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.439 29.022 -3.654 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -3.769 28.652 -4.473 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -2.851 28.352 -3.308 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -2.072 32.450 -0.973 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -2.167 31.872 -1.730 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -1.343 32.079 -0.477 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -3.072 27.791 -0.021 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.507 27.912 -0.784 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -2.753 28.428 0.618 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 3.237 33.294 0.713 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 2.996 33.956 1.361 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 3.039 32.460 1.138 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -5.272 28.388 3.925 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -5.202 29.039 4.623 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -6.163 28.491 3.590 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -4.449 28.092 -6.065 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -4.741 28.860 -6.556 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -5.123 27.432 -6.228 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -8.605 33.235 -0.366 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -7.659 33.091 -0.385 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -8.718 34.019 0.171 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 6.744 25.394 5.796 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 6.337 25.875 5.076 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 6.785 24.489 5.489 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -6.107 31.778 3.793 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -5.890 31.417 4.653 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -6.962 31.404 3.583 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -3.488 20.248 -0.211 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -4.349 20.161 -0.619 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -3.510 21.104 0.216 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 0.837 22.463 -9.552 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 0.583 22.482 -8.629 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 0.580 21.591 -9.853 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -3.397 25.214 0.884 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -4.039 25.173 1.593 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -3.360 26.140 0.646 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 1.238 26.026 6.101 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 0.675 25.322 6.421 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 2.064 25.906 6.568 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -5.647 25.534 2.751 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -5.685 25.934 3.619 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -6.138 24.717 2.841 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -2.281 22.908 -10.451 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -2.712 22.463 -9.721 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -2.999 23.280 -10.963 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -7.764 23.396 -7.975 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -7.290 23.987 -8.560 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -8.482 23.927 -7.628 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -5.990 24.491 -4.291 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -6.879 24.591 -4.631 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -5.694 23.649 -4.637 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -3.663 25.686 -9.068 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.205 25.306 -9.759 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -2.829 25.880 -9.497 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -5.528 30.243 6.031 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -4.795 30.497 6.592 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -6.308 30.447 6.546 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -4.496 21.786 -4.813 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -4.813 20.884 -4.848 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -3.715 21.788 -5.365 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -0.872 24.038 1.183 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -1.707 24.492 1.293 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -0.348 24.314 1.935 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -0.328 30.251 -7.132 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -1.072 29.744 -7.455 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -0.462 30.300 -6.186 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 3.570 23.065 -8.933 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 2.632 23.177 -9.084 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 3.867 23.922 -8.627 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 1.192 30.435 4.105 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 0.846 30.054 4.911 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 0.992 31.369 4.176 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -5.203 29.546 -1.363 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -4.458 29.544 -1.964 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -5.125 28.722 -0.881 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -8.195 28.007 3.952 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -7.972 27.589 4.784 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -8.797 27.394 3.530 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -1.178 27.524 6.165 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -1.474 27.358 5.270 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -0.247 27.304 6.155 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 9.173 25.142 -7.578 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 8.619 24.746 -8.250 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 9.274 26.052 -7.855 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 9.137 30.942 5.259 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 8.285 31.180 4.892 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 9.727 30.925 4.506 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -2.828 33.064 -3.958 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -2.301 33.837 -4.159 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -3.708 33.289 -4.260 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -7.073 27.926 -9.371 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -6.457 28.553 -8.992 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -7.935 28.242 -9.100 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.401 30.727 -4.382 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -1.642 31.652 -4.340 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -2.141 30.268 -3.986 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -2.717 35.749 -4.837 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -3.667 35.854 -4.785 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -2.366 36.569 -4.492 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 2.658 30.975 1.634 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 2.232 30.748 2.460 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 3.239 30.237 1.451 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -6.561 22.760 3.510 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -7.454 23.099 3.443 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -6.660 21.905 3.928 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -6.910 34.565 1.945 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -6.693 33.633 1.914 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -6.663 34.839 2.829 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -1.048 33.016 -10.845 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -0.809 32.268 -11.393 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -1.317 32.628 -10.013 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -2.111 32.586 -8.389 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -1.964 32.066 -7.599 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -2.114 33.493 -8.083 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -2.035 35.327 -7.658 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -1.874 36.127 -8.159 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -2.232 35.634 -6.773 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -3.301 22.025 -8.042 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -3.384 22.914 -7.696 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -2.411 21.760 -7.811 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 6.587 35.781 0.070 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 6.431 36.459 -0.587 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 7.519 35.853 0.273 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -5.918 19.899 -1.193 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -6.147 19.958 -2.120 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -6.361 19.107 -0.886 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -6.988 33.839 -5.032 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -7.820 34.312 -5.005 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -6.442 34.349 -5.631 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -7.699 36.452 6.298 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -7.159 36.235 7.057 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -8.180 35.646 6.108 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 0.990 34.879 -10.707 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 0.346 34.248 -10.385 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 1.752 34.348 -10.939 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -7.792 30.262 7.252 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -7.648 29.360 6.966 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -8.565 30.548 6.764 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -3.451 30.606 -10.616 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -3.387 29.812 -10.085 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -2.798 30.487 -11.305 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 4.598 30.148 4.068 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 5.343 30.736 3.948 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 3.841 30.730 4.131 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -6.960 27.462 6.672 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -6.552 26.605 6.551 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -7.220 27.477 7.593 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -2.302 28.578 -8.310 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -2.761 28.094 -7.624 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -2.047 27.910 -8.946 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -3.013 26.471 4.046 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -3.631 27.146 4.327 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.669 26.792 3.213 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -1.231 26.821 -10.047 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -1.411 26.667 -10.975 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -0.280 26.929 -10.003 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 2.007 28.942 7.324 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 2.960 29.026 7.296 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 1.847 28.231 7.943 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -2.673 23.826 5.129 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -2.523 23.097 4.526 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -2.671 24.603 4.570 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -2.261 22.196 2.621 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -1.725 22.647 1.969 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -3.113 22.088 2.199 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -0.679 27.635 2.861 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 0.072 27.479 2.288 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -1.018 28.487 2.585 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 3.737 25.450 7.889 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 3.929 24.519 7.778 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 4.594 25.875 7.879 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 5.053 28.239 5.967 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 4.772 28.948 5.389 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 5.996 28.166 5.816 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -4.195 25.024 7.040 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -4.962 24.492 6.830 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -3.516 24.714 6.441 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -1.455 19.652 3.053 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -1.553 20.599 2.947 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -2.198 19.280 2.577 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -0.191 23.974 6.616 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -0.427 23.754 7.518 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -0.974 23.767 6.107 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -1.333 37.512 -9.046 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -0.400 37.670 -8.902 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -1.597 38.187 -9.671 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -7.765 32.148 -9.563 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -6.851 32.227 -9.290 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -7.758 31.461 -10.230 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -9.116 37.541 -4.486 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -9.763 37.079 -5.019 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -8.761 36.869 -3.903 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -8.246 35.622 -2.681 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -8.580 34.741 -2.509 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -8.024 35.967 -1.817 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 9.303 36.431 0.299 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 9.281 36.616 1.238 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 9.993 37.000 -0.042 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 7.258 33.761 2.452 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 6.610 34.086 3.077 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 6.740 33.321 1.777 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 7.655 28.589 5.399 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 8.238 27.855 5.590 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 8.219 29.361 5.445 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 9.152 26.492 6.083 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 8.289 26.113 5.918 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 9.756 25.753 6.009 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 6.877 22.647 -10.744 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 7.487 22.275 -10.107 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 6.040 22.225 -10.548 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 9.433 19.500 7.788 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 9.783 18.846 7.182 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 9.580 20.337 7.348 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -7.347 22.280 -1.198 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -6.902 21.488 -0.896 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -6.881 22.996 -0.767 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 8.953 21.609 6.137 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 8.036 21.880 6.101 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 9.076 21.074 5.353 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 8.989 21.532 -9.201 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 9.402 20.811 -9.677 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 9.671 22.202 -9.143 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -8.730 21.537 -6.074 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -9.655 21.746 -6.204 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -8.276 22.021 -6.764 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.574 33.450 6.414 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -7.395 33.625 5.954 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -6.826 33.377 7.335 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 0.960 37.169 0.926 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 0.503 37.698 0.272 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 1.123 37.772 1.651 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 3.287 36.047 1.871 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 2.383 36.212 1.605 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 3.716 36.900 1.805 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 5.892 37.617 2.166 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 5.710 38.533 1.955 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 6.068 37.207 1.319 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -2.125 35.484 -0.866 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -1.912 34.596 -1.153 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -2.060 35.450 0.089 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -6.290 19.782 -3.899 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -7.067 19.548 -4.407 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -5.759 18.985 -3.891 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -7.453 19.580 -8.096 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -7.014 20.191 -8.687 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -8.087 20.118 -7.622 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -7.552 35.528 -7.198 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -8.237 35.490 -7.866 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -7.549 36.441 -6.910 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.734 36.448 -10.173 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -6.002 36.735 -9.300 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -4.963 35.902 -10.021 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -5.910 27.808 19.927 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -5.868 27.182 20.651 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -5.207 28.431 20.109 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -4.986 32.258 18.462 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -5.356 31.456 18.093 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -4.045 32.089 18.509 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 3.252 25.020 19.068 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 3.395 24.073 19.088 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 3.146 25.227 18.139 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 4.129 23.252 14.741 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 4.775 22.923 15.366 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 4.639 23.770 14.118 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -1.817 27.068 16.318 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -1.201 26.542 16.827 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -2.403 26.428 15.914 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -4.783 22.039 20.414 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -5.002 22.569 19.648 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -5.451 22.266 21.062 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 1.564 26.640 9.406 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 2.265 26.662 10.057 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 1.866 26.012 8.750 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -3.439 29.022 15.202 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -3.769 28.652 14.383 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -2.851 28.352 15.548 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -2.072 32.450 17.883 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -2.167 31.872 17.126 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -1.343 32.079 18.379 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -3.072 27.791 18.835 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -2.507 27.912 18.072 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -2.753 28.428 19.474 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -5.272 28.388 22.781 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -5.202 29.039 23.479 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -6.163 28.491 22.446 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 7.485 19.304 10.817 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 6.586 19.443 11.112 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 7.737 20.135 10.415 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -8.356 30.455 21.606 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -8.857 30.427 20.791 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -8.350 29.549 21.916 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -8.605 33.235 18.490 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -7.659 33.091 18.471 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -8.718 34.019 19.027 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -5.361 36.036 14.635 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -5.209 35.688 15.514 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -6.212 35.680 14.380 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 1.175 19.970 22.019 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 1.595 19.555 22.772 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 0.242 19.792 22.136 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 5.264 28.587 8.634 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 5.306 28.364 7.704 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 6.113 28.985 8.824 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -3.397 25.214 19.740 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -4.039 25.173 20.449 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -3.360 26.140 19.502 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 2.136 25.851 13.469 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 1.727 26.666 13.177 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 2.856 25.711 12.854 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 3.140 25.297 16.283 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 2.945 25.902 15.568 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 3.322 24.463 15.848 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -5.647 25.534 21.607 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -5.685 25.934 22.475 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -6.138 24.717 21.697 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -2.281 22.908 8.405 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -2.712 22.463 9.135 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -2.999 23.280 7.893 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -2.337 24.491 12.221 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -1.405 24.620 12.399 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -2.552 25.161 11.572 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 3.587 22.097 19.002 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 2.910 22.228 19.666 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 3.101 21.942 18.192 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -3.663 25.686 9.788 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -4.205 25.306 9.097 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -2.829 25.880 9.359 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 0.502 25.650 17.625 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 1.066 25.103 17.078 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 0.354 25.128 18.414 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -0.872 24.038 20.039 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -1.707 24.492 20.149 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -0.348 24.314 20.791 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -0.328 30.251 11.724 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -1.072 29.744 11.401 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -0.462 30.300 12.670 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 3.570 23.065 9.923 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 2.632 23.177 9.772 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 3.867 23.922 10.229 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 4.288 24.932 11.584 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 5.180 24.795 11.903 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 4.345 25.723 11.047 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -5.203 29.546 17.493 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -4.458 29.544 16.892 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -5.125 28.722 17.975 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -8.195 28.007 22.808 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -7.972 27.589 23.640 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -8.797 27.394 22.386 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -2.828 33.064 14.898 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -2.301 33.837 14.697 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -3.708 33.289 14.596 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -1.401 30.727 14.474 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -1.642 31.652 14.516 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -2.141 30.268 14.870 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -6.561 22.760 22.366 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -7.454 23.099 22.299 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -6.660 21.905 22.784 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -5.658 29.839 10.977 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -6.344 30.191 11.544 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -5.135 30.602 10.731 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 2.174 22.501 21.256 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 2.872 22.575 21.906 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 1.793 21.637 21.411 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 2.958 22.153 12.353 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 3.178 22.625 11.550 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 3.516 22.548 13.024 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 0.158 23.881 13.188 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 0.970 24.385 13.234 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -0.087 23.736 14.102 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -5.042 32.453 9.874 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -4.450 33.152 10.150 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -4.583 32.020 9.155 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -6.988 33.839 13.824 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -7.820 34.312 13.851 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -6.442 34.349 13.225 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -3.451 30.606 8.240 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -3.387 29.812 8.771 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -2.798 30.487 7.551 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -2.302 28.578 10.546 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -2.761 28.094 11.232 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -2.047 27.910 9.910 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -1.231 26.821 8.809 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -1.411 26.667 7.881 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -0.280 26.929 8.853 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -2.261 22.196 21.477 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -1.725 22.647 20.825 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -3.113 22.088 21.055 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -1.455 19.652 21.909 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -1.553 20.599 21.803 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -2.198 19.280 21.433 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -7.765 32.148 9.293 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -6.851 32.227 9.566 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -7.758 31.461 8.626 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -9.116 37.541 14.370 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -9.763 37.079 13.837 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -8.761 36.869 14.953 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -8.246 35.622 16.175 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -8.580 34.741 16.347 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -8.024 35.967 17.039 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 7.629 25.239 8.995 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 7.726 25.906 8.315 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 7.489 24.423 8.513 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 6.877 22.647 8.112 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 7.487 22.275 8.749 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 6.040 22.225 8.308 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -8.568 23.968 24.767 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -7.649 23.846 25.003 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -9.018 23.218 25.156 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 8.989 21.532 9.655 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 9.402 20.811 9.179 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 9.671 22.202 9.713 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -8.766 20.275 21.126 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -9.431 20.029 21.769 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -9.209 20.897 20.549 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -6.803 36.304 18.487 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -6.822 35.879 19.344 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -5.998 35.986 18.078 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -4.662 35.014 17.142 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -4.881 34.098 17.311 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -3.838 35.154 17.608 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 1.384 21.148 17.135 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 0.709 20.519 17.390 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 1.948 20.664 16.532 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 3.847 19.739 16.419 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 3.923 19.834 15.470 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 3.571 18.831 16.548 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 5.200 19.765 12.112 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 4.497 20.379 11.902 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 4.755 18.927 12.243 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -7.552 35.528 11.658 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -8.237 35.490 10.990 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -7.549 36.441 11.946 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 6.240 40.114 -17.311 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 5.504 40.725 -17.349 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 6.924 40.529 -17.837 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 6.744 44.250 -13.060 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 6.337 44.731 -13.780 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 6.785 43.345 -13.367 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 1.175 38.826 -15.693 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 1.595 38.411 -14.940 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 0.242 38.648 -15.576 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 4.501 42.582 -14.839 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 3.987 42.456 -14.042 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 4.346 43.494 -15.084 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 1.238 44.882 -12.755 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 0.675 44.178 -12.435 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 2.064 44.762 -12.288 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -9.039 41.506 -22.255 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -8.408 41.477 -21.535 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -8.589 41.081 -22.985 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 2.174 41.357 -16.456 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 2.872 41.431 -15.806 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 1.793 40.493 -16.301 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 6.898 41.630 -14.504 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 5.982 41.893 -14.592 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 7.234 41.627 -15.401 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -6.960 46.318 -12.184 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -6.552 45.461 -12.305 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -7.220 46.333 -11.263 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 3.737 44.306 -10.967 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 3.929 43.375 -11.078 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 4.594 44.731 -10.977 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -4.195 43.880 -11.816 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -4.962 43.348 -12.026 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -3.516 43.570 -12.415 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -0.191 42.830 -12.240 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -0.427 42.610 -11.338 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -0.974 42.623 -12.749 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 2.525 41.957 -13.164 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 1.577 41.989 -13.032 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 2.837 41.332 -12.510 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -6.014 41.801 -12.111 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -5.803 41.094 -12.722 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -6.126 41.363 -11.267 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -1.233 37.802 -13.132 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -0.521 37.162 -13.146 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -1.334 38.069 -14.046 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -0.880 39.485 -11.078 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -1.011 39.009 -11.899 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -1.479 40.229 -11.134 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -8.568 42.824 -12.945 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -7.649 42.702 -12.709 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -9.018 42.074 -12.556 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 8.953 40.465 -12.719 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 8.036 40.736 -12.755 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 9.076 39.930 -13.503 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -8.730 40.393 -24.930 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -9.655 40.602 -25.060 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -8.276 40.877 -25.620 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -8.766 39.131 -16.586 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -9.431 38.885 -15.943 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -9.209 39.753 -17.163 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 7.954 38.555 -14.900 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 7.141 38.880 -15.288 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 8.187 37.795 -15.433 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -6.290 38.638 -22.755 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -7.067 38.404 -23.263 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -5.759 37.841 -22.747 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -7.453 38.436 -26.952 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -7.014 39.047 -27.543 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -8.087 38.974 -26.478 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -6.332 39.152 -13.238 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -6.698 38.387 -12.795 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -5.419 39.181 -12.951 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -7.666 46.936 -2.875 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -7.452 46.166 -2.348 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -6.928 47.025 -3.478 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 8.774 41.083 0.745 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 8.823 41.693 1.481 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 9.200 41.544 0.022 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 3.252 43.876 0.212 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 3.395 42.929 0.232 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 3.146 44.083 -0.717 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -3.593 41.977 -2.516 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -3.550 42.837 -2.934 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -4.051 41.425 -3.149 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 4.129 42.108 -4.115 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 4.775 41.779 -3.490 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 4.639 42.626 -4.738 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -6.973 44.374 -1.754 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -6.319 43.824 -1.322 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -6.949 44.100 -2.670 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -7.685 50.206 -6.585 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -7.957 50.435 -7.474 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -7.640 51.044 -6.125 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 6.240 40.114 1.545 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 5.504 40.725 1.507 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 6.924 40.529 1.019 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -0.757 38.201 -0.989 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -0.874 37.252 -1.043 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -1.612 38.533 -0.716 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 1.564 45.496 -9.450 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 2.265 45.518 -8.799 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 1.866 44.868 -10.106 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 3.787 46.410 -7.852 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 4.366 46.560 -7.105 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 4.201 46.881 -8.575 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -4.449 46.948 -6.065 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -4.741 47.716 -6.556 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -5.123 46.288 -6.228 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -3.400 44.291 -4.204 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -4.293 43.950 -4.263 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -2.949 43.914 -4.960 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 2.136 44.707 -5.387 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 1.727 45.522 -5.679 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 2.856 44.567 -6.002 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 3.140 44.153 -2.573 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 2.945 44.758 -3.288 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 3.322 43.319 -3.008 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -2.281 41.764 -10.451 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -2.712 41.319 -9.721 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -2.999 42.136 -10.963 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -0.818 41.718 -3.118 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -1.729 41.775 -2.829 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -0.313 41.658 -2.307 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -5.990 43.347 -4.291 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -6.879 43.447 -4.631 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -5.694 42.505 -4.637 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -2.337 43.347 -6.635 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -1.405 43.476 -6.457 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -2.552 44.017 -7.284 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 3.587 40.953 0.146 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 2.910 41.084 0.810 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 3.101 40.798 -0.664 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -3.663 44.542 -9.068 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -4.205 44.162 -9.759 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -2.829 44.736 -9.497 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -4.496 40.642 -4.813 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -4.813 39.740 -4.848 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -3.715 40.644 -5.365 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 4.288 43.788 -7.272 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 5.180 43.651 -6.953 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 4.345 44.579 -7.809 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 9.173 43.998 -7.578 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 8.619 43.602 -8.250 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 9.274 44.908 -7.855 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -7.073 46.782 -9.371 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -6.457 47.409 -8.992 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -7.935 47.098 -9.100 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -5.658 48.695 -7.879 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -6.344 49.047 -7.312 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -5.135 49.458 -8.125 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 0.158 42.737 -5.668 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 0.970 43.241 -5.622 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -0.087 42.592 -4.754 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -3.301 40.881 -8.042 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -3.384 41.770 -7.696 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -2.411 40.616 -7.811 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 5.500 45.381 -1.552 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 4.703 44.966 -1.881 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 5.945 44.690 -1.061 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -6.726 43.973 -9.866 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -6.771 44.912 -9.687 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -7.614 43.737 -10.136 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -5.918 38.755 -1.193 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -6.147 38.814 -2.120 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -6.361 37.963 -0.886 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 7.629 44.095 -9.861 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 7.726 44.762 -10.541 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 7.489 43.279 -10.343 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 6.799 45.475 -4.240 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 6.649 44.530 -4.260 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 6.445 45.756 -3.396 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -8.166 47.553 -0.230 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -7.982 47.471 -1.165 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -7.317 47.429 0.194 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 6.877 41.503 -10.744 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 7.487 41.131 -10.107 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 6.040 41.081 -10.548 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 6.509 43.058 -5.778 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 6.789 42.151 -5.653 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 7.268 43.492 -6.167 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 7.121 43.639 -0.342 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 8.054 43.851 -0.376 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 6.886 43.741 0.581 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -8.568 42.824 5.911 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -7.649 42.702 6.147 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -9.018 42.074 6.300 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -7.347 41.136 -1.198 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -6.902 40.344 -0.896 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -6.881 41.852 -0.767 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -9.043 44.135 -0.129 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -8.551 43.914 -0.919 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -8.681 44.976 0.152 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 8.989 40.388 -9.201 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 9.402 39.667 -9.677 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 9.671 41.058 -9.143 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -8.766 39.131 2.270 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -9.431 38.885 2.913 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -9.209 39.753 1.693 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.384 40.004 -1.721 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 0.709 39.375 -1.466 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 1.948 39.520 -2.324 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -6.290 38.638 -3.899 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -7.067 38.404 -4.407 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -5.759 37.841 -3.891 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -7.453 38.436 -8.096 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -7.014 39.047 -8.687 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -8.087 38.974 -7.622 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -1.710 38.565 -4.086 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -0.836 38.953 -4.116 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -1.846 38.350 -3.163 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -5.592 40.352 -9.653 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -5.101 39.722 -10.181 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -4.969 40.648 -8.990 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -0.566 40.645 -7.196 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -0.388 39.999 -6.513 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -0.620 41.479 -6.729 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -8.730 40.393 12.782 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -9.655 40.602 12.652 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -8.276 40.877 12.092 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -7.453 38.436 10.760 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -7.014 39.047 10.169 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -8.087 38.974 11.234 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 12.946 8.952 1.071 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 12.988 8.326 1.795 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 13.649 9.575 1.253 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 13.870 13.402 -0.394 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 13.500 12.600 -0.763 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 14.811 13.233 -0.347 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 11.190 9.224 -2.875 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 11.404 8.454 -2.348 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 11.928 9.313 -3.478 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 11.883 6.662 -1.754 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 12.537 6.112 -1.322 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 11.907 6.388 -2.670 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 15.050 12.823 2.633 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 15.044 13.702 2.255 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 14.196 12.740 3.058 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 13.584 9.532 3.925 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 13.654 10.183 4.623 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 12.693 9.635 3.590 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 10.251 14.379 -0.366 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 11.197 14.235 -0.385 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 10.138 15.163 0.171 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 12.749 12.922 3.793 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 12.966 12.561 4.653 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 11.894 12.548 3.583 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 13.209 6.678 2.751 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 13.171 7.078 3.619 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 12.718 5.861 2.841 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 13.328 11.387 6.031 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 14.061 11.641 6.592 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 12.548 11.591 6.546 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 13.653 10.690 -1.363 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 14.398 10.688 -1.964 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 13.731 9.866 -0.881 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 10.661 9.151 3.952 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 10.884 8.733 4.784 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 10.059 8.538 3.530 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 11.946 15.709 1.945 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 12.163 14.777 1.914 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 12.193 15.983 2.829 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 11.868 14.983 -5.032 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 11.036 15.456 -5.005 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 12.414 15.493 -5.631 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 11.157 17.596 6.298 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 11.697 17.379 7.057 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 10.676 16.790 6.108 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 11.064 11.406 7.252 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 11.208 10.504 6.966 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 10.291 11.692 6.764 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 11.896 8.606 6.672 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 12.304 7.749 6.551 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 11.636 8.621 7.593 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 10.610 16.766 -2.681 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 10.276 15.885 -2.509 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 10.832 17.111 -1.817 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 10.690 9.841 -0.230 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 10.874 9.759 -1.165 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 11.539 9.717 0.194 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 10.288 5.112 5.911 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 11.207 4.990 6.147 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 9.838 4.362 6.300 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 9.813 6.423 -0.129 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 10.305 6.202 -0.919 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 10.175 7.264 0.152 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 12.282 14.594 6.414 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 11.461 14.769 5.954 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 12.030 14.521 7.335 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 12.638 18.825 2.720 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 11.918 19.265 2.269 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 12.272 18.574 3.569 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 12.053 17.448 -0.369 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 12.034 17.023 0.488 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 12.858 17.130 -0.778 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 11.304 16.672 -7.198 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 10.619 16.634 -7.866 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 11.307 17.585 -6.910 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 11.091 13.292 9.293 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 12.005 13.371 9.566 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 11.098 12.605 8.626 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 12.946 27.808 -17.785 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 12.988 27.182 -17.061 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 13.649 28.431 -17.603 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 13.584 28.388 -14.931 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 13.654 29.039 -14.233 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 12.693 28.491 -15.266 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 14.903 34.262 -13.396 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 14.911 34.126 -14.344 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 13.987 34.144 -13.144 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 10.500 30.455 -16.106 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 9.999 30.427 -16.921 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 10.506 29.549 -15.796 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 12.749 31.778 -15.063 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 12.966 31.417 -14.203 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 11.894 31.404 -15.273 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 13.209 25.534 -16.105 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 13.171 25.934 -15.237 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 12.718 24.717 -16.015 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 13.328 30.243 -12.825 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 14.061 30.497 -12.264 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 12.548 30.447 -12.310 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 10.661 28.007 -14.904 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 10.884 27.589 -14.072 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 10.059 27.394 -15.326 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 11.946 34.565 -16.911 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 12.163 33.633 -16.942 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 12.193 34.839 -16.027 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 15.754 35.371 -10.938 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 16.522 34.912 -10.597 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 15.733 35.145 -11.868 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 14.661 25.024 -11.816 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 13.894 24.492 -12.026 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 15.340 24.714 -12.415 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 12.842 22.945 -12.111 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 13.053 22.238 -12.722 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 12.730 22.507 -11.267 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 10.690 28.697 -19.086 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 10.874 28.615 -20.021 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 11.539 28.573 -18.662 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 10.288 23.968 -12.945 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 11.207 23.846 -12.709 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 9.838 23.218 -12.556 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 12.282 33.450 -12.442 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 11.461 33.625 -12.902 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 12.030 33.377 -11.521 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 12.638 37.681 -16.136 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 11.918 38.121 -16.587 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 12.272 37.430 -15.287 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 12.946 27.808 1.071 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 12.988 27.182 1.795 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 13.649 28.431 1.253 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 13.870 32.258 -0.394 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 13.500 31.456 -0.763 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 14.811 32.089 -0.347 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 10.480 25.918 -5.001 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 10.032 26.764 -5.019 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 9.919 25.338 -5.516 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 11.883 25.518 -1.754 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 12.537 24.968 -1.322 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 11.907 25.244 -2.670 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 13.667 23.931 -0.489 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 14.280 24.564 -0.116 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 14.179 23.459 -1.146 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 11.171 31.350 -6.585 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 10.899 31.579 -7.474 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 11.216 32.188 -6.125 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 15.417 29.022 -3.654 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 15.087 28.652 -4.473 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 16.005 28.352 -3.308 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 15.784 27.791 -0.021 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 16.349 27.912 -0.784 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 16.103 28.428 0.618 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 14.407 28.092 -6.065 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 14.115 28.860 -6.556 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 13.733 27.432 -6.228 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 10.500 30.455 2.750 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 9.999 30.427 1.935 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 10.506 29.549 3.060 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 10.251 33.235 -0.366 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 11.197 33.091 -0.385 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 10.138 34.019 0.171 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 13.495 36.036 -4.221 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 13.647 35.688 -3.342 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 12.644 35.680 -4.476 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 12.749 31.778 3.793 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 12.966 31.417 4.653 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 11.894 31.404 3.583 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 15.456 25.435 -4.204 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 14.563 25.094 -4.263 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 15.907 25.058 -4.960 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 13.209 25.534 2.751 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 13.171 25.934 3.619 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 12.718 24.717 2.841 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 9.817 22.650 -3.399 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 10.448 22.621 -2.679 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 10.267 22.225 -4.129 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 11.092 23.396 -7.975 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 11.566 23.987 -8.560 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 10.374 23.927 -7.628 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 12.866 24.491 -4.291 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 11.977 24.591 -4.631 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 13.162 23.649 -4.637 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 15.193 25.686 -9.068 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 14.651 25.306 -9.759 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 16.027 25.880 -9.497 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 13.653 29.546 -1.363 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 14.398 29.544 -1.964 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 13.731 28.722 -0.881 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 10.661 28.007 3.952 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 10.884 27.589 4.784 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 10.059 27.394 3.530 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 12.295 22.760 3.510 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 11.402 23.099 3.443 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 12.196 21.905 3.928 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 11.946 34.565 1.945 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 12.163 33.633 1.914 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 12.193 34.839 2.829 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 13.198 29.839 -7.879 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 12.512 30.191 -7.312 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 13.721 30.602 -8.125 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 13.814 32.453 -8.982 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 14.406 33.152 -8.706 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 14.273 32.020 -9.701 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 12.130 25.117 -9.866 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 12.085 26.056 -9.687 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 11.242 24.881 -10.136 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 12.938 19.899 -1.193 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 12.709 19.958 -2.120 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 12.495 19.107 -0.886 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 11.868 33.839 -5.032 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 11.036 34.312 -5.005 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 12.414 34.349 -5.631 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 15.405 30.606 -10.616 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 15.469 29.812 -10.085 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 16.058 30.487 -11.305 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 11.091 32.148 -9.563 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 12.005 32.227 -9.290 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 11.098 31.461 -10.230 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 10.610 35.622 -2.681 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 10.276 34.741 -2.509 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 10.832 35.967 -1.817 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 10.288 23.968 5.911 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 11.207 23.846 6.147 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 9.838 23.218 6.300 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 11.509 22.280 -1.198 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 11.954 21.488 -0.896 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 11.975 22.996 -0.767 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 9.813 25.279 -0.129 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 10.305 25.058 -0.919 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 10.175 26.120 0.152 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 10.126 21.537 -6.074 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 9.201 21.746 -6.204 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 10.580 22.021 -6.764 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 10.090 20.275 2.270 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 9.425 20.029 2.913 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 9.647 20.897 1.693 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 12.053 36.304 -0.369 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 12.034 35.879 0.488 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 12.858 35.986 -0.778 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 12.566 19.782 -3.899 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 11.789 19.548 -4.407 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 13.097 18.985 -3.891 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 11.403 19.580 -8.096 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 11.842 20.191 -8.687 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 10.769 20.118 -7.622 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 11.304 35.528 -7.198 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 10.619 35.490 -7.866 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 11.307 36.441 -6.910 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 12.524 20.296 5.618 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 12.158 19.531 6.061 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 13.437 20.325 5.905 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 13.122 36.448 -10.173 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 12.854 36.735 -9.300 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 13.893 35.902 -10.021 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 12.842 41.801 -12.111 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 13.053 41.094 -12.722 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 12.730 41.363 -11.267 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 10.288 42.824 -12.945 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 11.207 42.702 -12.709 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 9.838 42.074 -12.556 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 10.090 39.131 -16.586 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 9.425 38.885 -15.943 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 9.647 39.753 -17.163 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 12.524 39.152 -13.238 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 12.158 38.387 -12.795 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 13.437 39.181 -12.951 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 14.497 38.503 -11.702 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 15.396 38.229 -11.887 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 14.111 37.760 -11.238 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 10.480 44.774 -5.001 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 10.032 45.620 -5.019 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 9.919 44.194 -5.516 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 9.817 41.506 -3.399 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 10.448 41.477 -2.679 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 10.267 41.081 -4.129 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 11.092 42.252 -7.975 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 11.566 42.843 -8.560 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 10.374 42.783 -7.628 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 12.938 38.755 -1.193 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 12.709 38.814 -2.120 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 12.495 37.963 -0.886 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 11.509 41.136 -1.198 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 11.954 40.344 -0.896 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 11.975 41.852 -0.767 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 10.126 40.393 -6.074 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 9.201 40.602 -6.204 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 10.580 40.877 -6.764 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 12.566 38.638 -3.899 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 11.789 38.404 -4.407 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 13.097 37.841 -3.891 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 11.403 38.436 -8.096 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 11.842 39.047 -8.687 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 10.769 38.974 -7.622 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 13.264 40.352 -9.653 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 13.755 39.722 -10.181 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 13.887 40.648 -8.990 0.00 0.00 WAT1 END