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 13:35:23 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 23.045 -11.526 30.190 1.00 61.03 ATOM 2 CB MET 1 22.961 -13.583 30.796 1.00 30.44 ATOM 3 HB1 MET 1 22.225 -14.040 30.144 1.00 38.07 ATOM 4 HB2 MET 1 22.931 -14.093 31.750 1.00 1.44 ATOM 5 CG MET 1 24.324 -13.805 30.160 1.00 13.42 ATOM 6 HG1 MET 1 24.426 -13.147 29.307 1.00 38.07 ATOM 7 HG2 MET 1 24.376 -14.829 29.821 1.00 50.15 ATOM 8 SD MET 1 25.683 -13.486 31.301 1.00 11.52 ATOM 9 CE MET 1 26.564 -15.043 31.222 1.00 11.03 ATOM 10 HE1 MET 1 25.911 -15.842 31.541 1.00 65.23 ATOM 11 HE2 MET 1 27.426 -15.002 31.871 1.00 23.42 ATOM 12 HE3 MET 1 26.886 -15.224 30.207 1.00 62.13 ATOM 13 C MET 1 21.097 -11.925 30.974 1.00 54.21 ATOM 14 O MET 1 20.389 -12.427 31.846 1.00 1.12 ATOM 15 N MET 1 23.176 -11.617 32.246 1.00 4.51 ATOM 16 HT1 MET 1 23.084 -12.323 33.008 1.00 38.07 ATOM 17 HT2 MET 1 22.684 -10.747 32.550 1.00 38.07 ATOM 18 HT3 MET 1 24.174 -11.381 32.124 1.00 38.07 ATOM 19 CA MET 1 22.611 -12.107 30.995 1.00 72.43 ATOM 20 N GLY 2 20.606 -11.202 29.972 1.00 54.13 ATOM 21 HN GLY 2 21.214 -10.831 29.290 1.00 38.07 ATOM 22 CA GLY 2 19.178 -10.966 29.857 1.00 3.20 ATOM 23 HA1 GLY 2 18.708 -11.040 30.832 1.00 38.07 ATOM 24 HA2 GLY 2 18.757 -11.727 29.215 1.00 5.34 ATOM 25 C GLY 2 18.861 -9.600 29.282 1.00 40.31 ATOM 26 O GLY 2 19.521 -8.612 29.607 1.00 20.35 ATOM 27 N HIS 3 17.849 -9.542 28.422 1.00 15.35 ATOM 28 HN HIS 3 17.357 -10.364 28.188 1.00 38.07 ATOM 29 CA HIS 3 17.446 -8.286 27.799 1.00 13.14 ATOM 30 HA HIS 3 17.990 -7.471 28.268 1.00 11.23 ATOM 31 CB HIS 3 17.775 -8.304 26.306 1.00 34.43 ATOM 32 HB1 HIS 3 17.030 -8.879 25.770 1.00 38.07 ATOM 33 HB2 HIS 3 18.741 -8.769 26.165 1.00 51.05 ATOM 34 CG HIS 3 17.842 -6.941 25.691 1.00 42.40 ATOM 35 ND1 HIS 3 16.921 -6.482 24.773 1.00 34.53 ATOM 36 HD1 HIS 3 16.150 -6.984 24.436 1.00 41.15 ATOM 37 CD2 HIS 3 18.728 -5.933 25.868 1.00 40.53 ATOM 38 HD2 HIS 3 19.588 -5.943 26.523 1.00 51.24 ATOM 39 CE1 HIS 3 17.238 -5.252 24.411 1.00 74.32 ATOM 40 HE1 HIS 3 16.695 -4.642 23.704 1.00 52.10 ATOM 41 NE2 HIS 3 18.330 -4.895 25.061 1.00 43.10 ATOM 42 HE2 HIS 3 18.728 -3.999 25.048 1.00 38.07 ATOM 43 C HIS 3 15.955 -8.033 28.001 1.00 74.32 ATOM 44 O HIS 3 15.179 -8.966 28.213 1.00 64.41 ATOM 45 N HIS 4 15.560 -6.766 27.934 1.00 54.22 ATOM 46 HN HIS 4 16.230 -6.059 27.774 1.00 38.07 ATOM 47 CA HIS 4 14.161 -6.391 28.109 1.00 10.40 ATOM 48 HA HIS 4 13.548 -7.104 27.568 1.00 4.14 ATOM 49 CB HIS 4 13.780 -6.437 29.589 1.00 2.21 ATOM 50 HB1 HIS 4 14.492 -5.854 30.155 1.00 38.07 ATOM 51 HB2 HIS 4 13.810 -7.461 29.929 1.00 65.31 ATOM 52 CG HIS 4 12.411 -5.899 29.872 1.00 5.25 ATOM 53 ND1 HIS 4 12.192 -4.666 30.449 1.00 1.25 ATOM 54 HD1 HIS 4 12.886 -4.032 30.726 1.00 51.45 ATOM 55 CD2 HIS 4 11.187 -6.433 29.653 1.00 23.13 ATOM 56 HD2 HIS 4 10.978 -7.397 29.210 1.00 55.03 ATOM 57 CE1 HIS 4 10.892 -4.466 30.575 1.00 43.34 ATOM 58 HE1 HIS 4 10.426 -3.587 30.995 1.00 22.30 ATOM 59 NE2 HIS 4 10.260 -5.523 30.098 1.00 22.24 ATOM 60 HE2 HIS 4 9.294 -5.676 30.153 1.00 38.07 ATOM 61 C HIS 4 13.898 -4.997 27.547 1.00 11.32 ATOM 62 O HIS 4 14.770 -4.128 27.581 1.00 51.20 ATOM 63 N HIS 5 12.691 -4.790 27.030 1.00 32.41 ATOM 64 HN HIS 5 12.037 -5.529 27.018 1.00 38.07 ATOM 65 CA HIS 5 12.313 -3.502 26.461 1.00 42.25 ATOM 66 HA HIS 5 12.782 -2.717 27.044 1.00 40.31 ATOM 67 CB HIS 5 12.799 -3.397 25.015 1.00 65.22 ATOM 68 HB1 HIS 5 13.875 -3.297 25.017 1.00 38.07 ATOM 69 HB2 HIS 5 12.367 -2.523 24.544 1.00 2.21 ATOM 70 CG HIS 5 12.455 -4.592 24.179 1.00 3.42 ATOM 71 ND1 HIS 5 13.331 -5.633 23.959 1.00 63.44 ATOM 72 HD1 HIS 5 14.242 -5.699 24.314 1.00 3.43 ATOM 73 CD2 HIS 5 11.322 -4.907 23.510 1.00 33.01 ATOM 74 HD2 HIS 5 10.420 -4.314 23.462 1.00 72.41 ATOM 75 CE1 HIS 5 12.752 -6.537 23.189 1.00 61.24 ATOM 76 HE1 HIS 5 13.200 -7.460 22.852 1.00 2.15 ATOM 77 NE2 HIS 5 11.532 -6.121 22.903 1.00 53.43 ATOM 78 HE2 HIS 5 10.853 -6.645 22.429 1.00 38.07 ATOM 79 C HIS 5 10.801 -3.305 26.517 1.00 62.13 ATOM 80 O HIS 5 10.041 -4.271 26.590 1.00 64.52 ATOM 81 N HIS 6 10.371 -2.048 26.483 1.00 41.23 ATOM 82 HN HIS 6 11.029 -1.314 26.434 1.00 38.07 ATOM 83 CA HIS 6 8.950 -1.725 26.530 1.00 55.51 ATOM 84 HA HIS 6 8.440 -2.374 25.823 1.00 50.22 ATOM 85 CB HIS 6 8.393 -1.979 27.931 1.00 23.02 ATOM 86 HB1 HIS 6 8.705 -1.185 28.598 1.00 38.07 ATOM 87 HB2 HIS 6 8.782 -2.917 28.302 1.00 43.10 ATOM 88 CG HIS 6 6.898 -2.059 27.977 1.00 44.31 ATOM 89 ND1 HIS 6 6.081 -0.963 27.800 1.00 54.30 ATOM 90 HD1 HIS 6 6.382 -0.046 27.632 1.00 62.54 ATOM 91 CD2 HIS 6 6.074 -3.113 28.179 1.00 12.24 ATOM 92 HD2 HIS 6 6.374 -4.137 28.352 1.00 64.13 ATOM 93 CE1 HIS 6 4.818 -1.339 27.893 1.00 13.23 ATOM 94 HE1 HIS 6 3.958 -0.693 27.796 1.00 41.22 ATOM 95 NE2 HIS 6 4.786 -2.639 28.123 1.00 61.11 ATOM 96 HE2 HIS 6 3.976 -3.190 28.140 1.00 38.07 ATOM 97 C HIS 6 8.709 -0.272 26.130 1.00 2.25 ATOM 98 O HIS 6 9.396 0.634 26.602 1.00 5.55 ATOM 99 N HIS 7 7.730 -0.057 25.257 1.00 31.35 ATOM 100 HN HIS 7 7.192 -0.815 24.936 1.00 38.07 ATOM 101 CA HIS 7 7.399 1.286 24.794 1.00 22.43 ATOM 102 HA HIS 7 8.047 2.005 25.279 1.00 61.23 ATOM 103 CB HIS 7 7.609 1.393 23.284 1.00 74.14 ATOM 104 HB1 HIS 7 8.670 1.345 23.084 1.00 38.07 ATOM 105 HB2 HIS 7 7.232 2.333 22.912 1.00 2.42 ATOM 106 CG HIS 7 6.959 0.288 22.509 1.00 62.12 ATOM 107 ND1 HIS 7 7.497 -0.978 22.409 1.00 34.11 ATOM 108 HD1 HIS 7 8.334 -1.279 22.820 1.00 73.31 ATOM 109 CD2 HIS 7 5.809 0.264 21.796 1.00 70.13 ATOM 110 HD2 HIS 7 5.124 1.089 21.657 1.00 5.14 ATOM 111 CE1 HIS 7 6.706 -1.732 21.667 1.00 70.42 ATOM 112 HE1 HIS 7 6.874 -2.770 21.418 1.00 64.32 ATOM 113 NE2 HIS 7 5.674 -1.003 21.282 1.00 4.44 ATOM 114 HE2 HIS 7 4.990 -1.287 20.640 1.00 38.07 ATOM 115 C HIS 7 5.958 1.642 25.147 1.00 42.34 ATOM 116 O HIS 7 5.253 0.861 25.786 1.00 1.24 ATOM 117 N HIS 8 5.527 2.827 24.726 1.00 51.24 ATOM 118 HN HIS 8 6.146 3.435 24.259 1.00 38.07 ATOM 119 CA HIS 8 4.170 3.287 24.997 1.00 13.30 ATOM 120 HA HIS 8 3.503 2.436 24.888 1.00 63.22 ATOM 121 CB HIS 8 4.065 3.819 26.427 1.00 43.34 ATOM 122 HB1 HIS 8 4.532 4.795 26.491 1.00 38.07 ATOM 123 HB2 HIS 8 4.583 3.141 27.091 1.00 2.44 ATOM 124 CG HIS 8 2.656 3.938 26.920 1.00 22.43 ATOM 125 ND1 HIS 8 1.793 2.865 26.996 1.00 12.12 ATOM 126 HD1 HIS 8 2.003 1.942 26.742 1.00 74.40 ATOM 127 CD2 HIS 8 1.961 5.010 27.366 1.00 4.23 ATOM 128 HD2 HIS 8 2.328 6.024 27.445 1.00 54.33 ATOM 129 CE1 HIS 8 0.627 3.273 27.466 1.00 45.22 ATOM 130 HE1 HIS 8 -0.240 2.651 27.633 1.00 40.12 ATOM 131 NE2 HIS 8 0.704 4.571 27.699 1.00 54.11 ATOM 132 HE2 HIS 8 0.010 5.109 28.135 1.00 38.07 ATOM 133 C HIS 8 3.755 4.371 24.007 1.00 43.44 ATOM 134 O HIS 8 4.437 5.386 23.861 1.00 13.23 ATOM 135 N SER 9 2.635 4.149 23.327 1.00 33.34 ATOM 136 HN SER 9 2.133 3.313 23.480 1.00 38.07 ATOM 137 CA SER 9 2.132 5.104 22.347 1.00 2.43 ATOM 138 HA SER 9 2.208 6.099 22.768 1.00 10.41 ATOM 139 CB SER 9 2.970 5.044 21.068 1.00 33.45 ATOM 140 HB1 SER 9 2.845 4.080 20.594 1.00 38.07 ATOM 141 HB2 SER 9 4.011 5.187 21.318 1.00 63.45 ATOM 142 OG SER 9 2.582 6.056 20.156 1.00 35.01 ATOM 143 HG SER 9 3.234 6.123 19.455 1.00 51.24 ATOM 144 C SER 9 0.667 4.830 22.023 1.00 71.13 ATOM 145 O SER 9 0.146 3.752 22.312 1.00 64.24 ATOM 146 N HIS 10 0.006 5.814 21.420 1.00 25.50 ATOM 147 HN HIS 10 0.469 6.663 21.224 1.00 38.07 ATOM 148 CA HIS 10 -1.399 5.679 21.055 1.00 52.12 ATOM 149 HA HIS 10 -1.655 4.626 21.004 1.00 12.22 ATOM 150 CB HIS 10 -2.286 6.360 22.098 1.00 73.51 ATOM 151 HB1 HIS 10 -3.264 6.561 21.678 1.00 38.07 ATOM 152 HB2 HIS 10 -1.835 7.296 22.393 1.00 53.44 ATOM 153 CG HIS 10 -2.495 5.539 23.333 1.00 14.03 ATOM 154 ND1 HIS 10 -3.344 4.453 23.381 1.00 13.50 ATOM 155 HD1 HIS 10 -3.883 4.114 22.636 1.00 12.15 ATOM 156 CD2 HIS 10 -1.958 5.650 24.571 1.00 75.41 ATOM 157 HD2 HIS 10 -1.245 6.395 24.896 1.00 4.01 ATOM 158 CE1 HIS 10 -3.322 3.933 24.595 1.00 61.11 ATOM 159 HE1 HIS 10 -3.888 3.075 24.925 1.00 40.04 ATOM 160 NE2 HIS 10 -2.488 4.640 25.336 1.00 13.03 ATOM 161 HE2 HIS 10 -2.215 4.415 26.250 1.00 38.07 ATOM 162 C HIS 10 -1.662 6.279 19.677 1.00 73.12 ATOM 163 O HIS 10 -0.777 6.884 19.074 1.00 43.04 ATOM 164 N MET 11 -2.885 6.106 19.185 1.00 22.30 ATOM 165 HN MET 11 -3.560 5.619 19.714 1.00 38.07 ATOM 166 CA MET 11 -3.264 6.631 17.878 1.00 23.42 ATOM 167 HA MET 11 -2.369 6.936 17.343 1.00 11.23 ATOM 168 CB MET 11 -3.982 5.555 17.061 1.00 22.54 ATOM 169 HB1 MET 11 -4.661 6.020 16.354 1.00 38.07 ATOM 170 HB2 MET 11 -4.565 4.940 17.735 1.00 75.25 ATOM 171 CG MET 11 -3.038 4.640 16.298 1.00 24.11 ATOM 172 HG1 MET 11 -3.531 3.689 16.161 1.00 38.07 ATOM 173 HG2 MET 11 -2.137 4.488 16.879 1.00 55.11 ATOM 174 SD MET 11 -2.578 5.305 14.686 1.00 0.04 ATOM 175 CE MET 11 -3.057 3.953 13.613 1.00 4.23 ATOM 176 HE1 MET 11 -4.116 3.768 13.718 1.00 1.31 ATOM 177 HE2 MET 11 -2.507 3.064 13.886 1.00 22.33 ATOM 178 HE3 MET 11 -2.836 4.212 12.588 1.00 4.51 ATOM 179 C MET 11 -4.159 7.857 18.024 1.00 70.02 ATOM 180 O MET 11 -4.741 8.090 19.083 1.00 62.02 ATOM 181 N ALA 12 -4.264 8.638 16.953 1.00 32.34 ATOM 182 HN ALA 12 -3.772 8.410 16.131 1.00 38.07 ATOM 183 CA ALA 12 -5.090 9.839 16.962 1.00 21.12 ATOM 184 HA ALA 12 -5.613 9.909 17.909 1.00 32.10 ATOM 185 CB ALA 12 -4.219 11.079 16.829 1.00 4.15 ATOM 186 HB1 ALA 12 -3.490 11.091 17.626 1.00 51.10 ATOM 187 HB2 ALA 12 -4.834 11.965 16.895 1.00 45.51 ATOM 188 HB3 ALA 12 -3.707 11.064 15.877 1.00 63.20 ATOM 189 C ALA 12 -6.129 9.799 15.847 1.00 35.43 ATOM 190 O ALA 12 -5.957 9.101 14.848 1.00 63.23 ATOM 191 N LYS 13 -7.210 10.551 16.025 1.00 33.31 ATOM 192 HN LYS 13 -7.303 11.086 16.847 1.00 38.07 ATOM 193 CA LYS 13 -8.279 10.602 15.034 1.00 3.13 ATOM 194 HA LYS 13 -7.957 10.051 14.164 1.00 64.24 ATOM 195 CB LYS 13 -9.555 9.972 15.597 1.00 63.32 ATOM 196 HB1 LYS 13 -10.425 10.362 15.084 1.00 38.07 ATOM 197 HB2 LYS 13 -9.635 10.233 16.644 1.00 42.02 ATOM 198 CG LYS 13 -9.580 8.456 15.496 1.00 40.41 ATOM 199 HG1 LYS 13 -10.398 8.078 16.095 1.00 38.07 ATOM 200 HG2 LYS 13 -8.648 8.063 15.881 1.00 1.15 ATOM 201 CD LYS 13 -9.746 7.996 14.057 1.00 21.04 ATOM 202 HD1 LYS 13 -9.393 6.977 13.991 1.00 38.07 ATOM 203 HD2 LYS 13 -9.166 8.603 13.388 1.00 75.23 ATOM 204 CE LYS 13 -11.206 8.016 13.631 1.00 43.45 ATOM 205 HE1 LYS 13 -11.589 9.021 13.712 1.00 38.07 ATOM 206 HE2 LYS 13 -11.768 7.367 14.288 1.00 3.54 ATOM 207 NZ LYS 13 -11.381 7.540 12.231 1.00 61.24 ATOM 208 HZ1 LYS 13 -11.037 6.562 12.135 1.00 21.34 ATOM 209 HZ2 LYS 13 -10.852 8.148 11.572 1.00 51.20 ATOM 210 HZ3 LYS 13 -12.388 7.566 11.971 1.00 50.12 ATOM 211 C LYS 13 -8.555 12.040 14.607 1.00 74.15 ATOM 212 O LYS 13 -8.225 12.996 15.308 1.00 44.21 ATOM 213 N PRO 14 -9.178 12.199 13.429 1.00 23.40 ATOM 214 CA PRO 14 -9.514 13.517 12.883 1.00 73.41 ATOM 215 HA PRO 14 -8.641 14.155 12.836 1.00 21.33 ATOM 216 CB PRO 14 -9.987 13.201 11.462 1.00 53.44 ATOM 217 HB1 PRO 14 -9.154 13.292 10.781 1.00 38.07 ATOM 218 HB2 PRO 14 -10.775 13.879 11.157 1.00 72.23 ATOM 219 CG PRO 14 -10.471 11.794 11.527 1.00 73.02 ATOM 220 HG1 PRO 14 -10.366 11.324 10.560 1.00 38.07 ATOM 221 HG2 PRO 14 -11.503 11.775 11.844 1.00 70.31 ATOM 222 CD PRO 14 -9.601 11.103 12.540 1.00 12.44 ATOM 223 HD1 PRO 14 -8.753 10.635 12.064 1.00 38.07 ATOM 224 HD2 PRO 14 -10.184 10.394 13.058 1.00 23.50 ATOM 225 C PRO 14 -10.622 14.206 13.672 1.00 31.44 ATOM 226 O PRO 14 -11.716 13.662 13.832 1.00 3.32 ATOM 227 N THR 15 -10.333 15.406 14.165 1.00 40.22 ATOM 228 HN THR 15 -9.440 15.794 14.017 1.00 38.07 ATOM 229 CA THR 15 -11.304 16.169 14.938 1.00 13.23 ATOM 230 HA THR 15 -12.270 15.676 14.862 1.00 54.35 ATOM 231 CB THR 15 -10.913 16.232 16.427 1.00 62.22 ATOM 232 HB THR 15 -10.258 17.080 16.595 1.00 44.14 ATOM 233 OG1 THR 15 -10.211 15.041 16.799 1.00 22.42 ATOM 234 HG1 THR 15 -9.290 15.114 16.537 1.00 20.22 ATOM 235 CG2 THR 15 -12.145 16.396 17.304 1.00 62.30 ATOM 236 HG21 THR 15 -11.844 16.437 18.340 1.00 34.22 ATOM 237 HG22 THR 15 -12.809 15.556 17.157 1.00 40.22 ATOM 238 HG23 THR 15 -12.657 17.311 17.043 1.00 31.35 ATOM 239 C THR 15 -11.442 17.589 14.401 1.00 71.03 ATOM 240 O THR 15 -10.458 18.321 14.295 1.00 75.21 ATOM 241 N ALA 16 -12.669 17.972 14.063 1.00 0.41 ATOM 242 HN ALA 16 -13.425 17.350 14.168 1.00 38.07 ATOM 243 CA ALA 16 -12.935 19.306 13.539 1.00 54.21 ATOM 244 HA ALA 16 -11.999 19.848 13.453 1.00 41.30 ATOM 245 CB ALA 16 -13.528 19.215 12.140 1.00 4.04 ATOM 246 HB1 ALA 16 -14.481 18.705 12.180 1.00 22.33 ATOM 247 HB2 ALA 16 -12.854 18.663 11.502 1.00 3.34 ATOM 248 HB3 ALA 16 -13.667 20.209 11.738 1.00 41.04 ATOM 249 C ALA 16 -13.869 20.082 14.461 1.00 13.14 ATOM 250 O ALA 16 -14.984 19.642 14.745 1.00 43.21 ATOM 251 N ARG 17 -13.407 21.238 14.927 1.00 35.14 ATOM 252 HN ARG 17 -12.512 21.552 14.659 1.00 38.07 ATOM 253 CA ARG 17 -14.201 22.074 15.820 1.00 73.13 ATOM 254 HA ARG 17 -15.052 21.504 16.174 1.00 61.35 ATOM 255 CB ARG 17 -13.368 22.499 17.030 1.00 12.32 ATOM 256 HB1 ARG 17 -12.597 23.185 16.704 1.00 38.07 ATOM 257 HB2 ARG 17 -12.887 21.623 17.446 1.00 70.34 ATOM 258 CG ARG 17 -14.180 23.184 18.118 1.00 43.54 ATOM 259 HG1 ARG 17 -14.908 23.852 17.679 1.00 38.07 ATOM 260 HG2 ARG 17 -13.504 23.757 18.736 1.00 3.32 ATOM 261 CD ARG 17 -14.894 22.173 19.000 1.00 12.22 ATOM 262 HD1 ARG 17 -15.038 22.616 19.975 1.00 38.07 ATOM 263 HD2 ARG 17 -14.270 21.294 19.102 1.00 44.35 ATOM 264 NE ARG 17 -16.198 21.798 18.459 1.00 44.35 ATOM 265 HE ARG 17 -16.620 22.408 17.809 1.00 54.12 ATOM 266 CZ ARG 17 -16.844 20.689 18.799 1.00 25.42 ATOM 267 NH1 ARG 17 -16.310 19.850 19.676 1.00 23.42 ATOM 268 HH11 ARG 17 -15.426 20.027 20.100 1.00 71.52 ATOM 269 HH12 ARG 17 -16.805 19.014 19.922 1.00 43.31 ATOM 270 NH2 ARG 17 -18.026 20.417 18.263 1.00 73.32 ATOM 271 HH21 ARG 17 -18.435 21.047 17.600 1.00 60.15 ATOM 272 HH22 ARG 17 -18.515 19.580 18.518 1.00 54.54 ATOM 273 C ARG 17 -14.722 23.308 15.088 1.00 35.45 ATOM 274 O ARG 17 -14.159 24.395 15.204 1.00 24.13 ATOM 275 N GLY 18 -15.803 23.130 14.334 1.00 31.03 ATOM 276 HN GLY 18 -16.220 22.241 14.272 1.00 38.07 ATOM 277 CA GLY 18 -16.382 24.237 13.595 1.00 63.51 ATOM 278 HA1 GLY 18 -16.754 23.856 12.655 1.00 38.07 ATOM 279 HA2 GLY 18 -15.623 24.982 13.381 1.00 73.32 ATOM 280 C GLY 18 -17.535 24.887 14.333 1.00 72.23 ATOM 281 O GLY 18 -18.361 24.201 14.934 1.00 24.42 ATOM 282 N GLU 19 -17.591 26.214 14.288 1.00 53.32 ATOM 283 HN GLU 19 -16.910 26.716 13.782 1.00 38.07 ATOM 284 CA GLU 19 -18.651 26.956 14.960 1.00 54.50 ATOM 285 HA GLU 19 -19.220 26.277 15.583 1.00 12.00 ATOM 286 CB GLU 19 -18.054 28.049 15.849 1.00 14.22 ATOM 287 HB1 GLU 19 -18.856 28.577 16.347 1.00 38.07 ATOM 288 HB2 GLU 19 -17.506 28.746 15.231 1.00 42.54 ATOM 289 CG GLU 19 -17.108 27.519 16.913 1.00 33.23 ATOM 290 HG1 GLU 19 -16.877 28.320 17.600 1.00 38.07 ATOM 291 HG2 GLU 19 -16.200 27.185 16.434 1.00 52.44 ATOM 292 CD GLU 19 -17.700 26.363 17.697 1.00 54.33 ATOM 293 OE1 GLU 19 -17.104 25.267 17.680 1.00 64.30 ATOM 294 OE2 GLU 19 -18.761 26.557 18.327 1.00 32.40 ATOM 295 C GLU 19 -19.608 27.577 13.946 1.00 33.11 ATOM 296 O GLU 19 -19.189 28.050 12.890 1.00 13.22 ATOM 297 N ALA 20 -20.896 27.570 14.275 1.00 21.23 ATOM 298 HN ALA 20 -21.171 27.179 15.139 1.00 38.07 ATOM 299 CA ALA 20 -21.912 28.133 13.395 1.00 35.43 ATOM 300 HA ALA 20 -21.835 27.644 12.432 1.00 2.32 ATOM 301 CB ALA 20 -23.302 27.856 13.950 1.00 52.13 ATOM 302 HB1 ALA 20 -24.049 28.226 13.262 1.00 23.33 ATOM 303 HB2 ALA 20 -23.417 28.347 14.906 1.00 2.53 ATOM 304 HB3 ALA 20 -23.430 26.791 14.077 1.00 25.24 ATOM 305 C ALA 20 -21.705 29.631 13.205 1.00 52.30 ATOM 306 O ALA 20 -20.991 30.272 13.975 1.00 35.14 ATOM 307 N GLY 21 -22.334 30.185 12.172 1.00 31.23 ATOM 308 HN GLY 21 -22.887 29.621 11.579 1.00 38.07 ATOM 309 CA GLY 21 -22.205 31.604 11.899 1.00 3.22 ATOM 310 HA1 GLY 21 -21.251 31.788 11.439 1.00 38.07 ATOM 311 HA2 GLY 21 -22.247 32.152 12.834 1.00 20.52 ATOM 312 C GLY 21 -23.309 32.124 11.000 1.00 45.50 ATOM 313 O GLY 21 -24.452 32.273 11.431 1.00 3.35 ATOM 314 N SER 22 -22.966 32.404 9.746 1.00 32.43 ATOM 315 HN SER 22 -22.034 32.263 9.455 1.00 38.07 ATOM 316 CA SER 22 -23.936 32.916 8.785 1.00 22.21 ATOM 317 HA SER 22 -24.674 33.508 9.314 1.00 25.11 ATOM 318 CB SER 22 -23.243 33.815 7.759 1.00 23.15 ATOM 319 HB1 SER 22 -23.436 34.847 8.013 1.00 38.07 ATOM 320 HB2 SER 22 -23.610 33.625 6.759 1.00 3.01 ATOM 321 OG SER 22 -21.841 33.609 7.766 1.00 63.14 ATOM 322 HG SER 22 -21.438 34.141 8.457 1.00 5.25 ATOM 323 C SER 22 -24.652 31.772 8.074 1.00 60.22 ATOM 324 O SER 22 -24.386 30.599 8.337 1.00 45.11 ATOM 325 N ARG 23 -25.562 32.122 7.171 1.00 15.33 ATOM 326 HN ARG 23 -25.741 33.080 7.012 1.00 38.07 ATOM 327 CA ARG 23 -26.319 31.126 6.422 1.00 3.13 ATOM 328 HA ARG 23 -26.866 30.518 7.133 1.00 52.04 ATOM 329 CB ARG 23 -27.303 31.810 5.472 1.00 13.43 ATOM 330 HB1 ARG 23 -27.392 31.231 4.560 1.00 38.07 ATOM 331 HB2 ARG 23 -26.924 32.792 5.217 1.00 64.42 ATOM 332 CG ARG 23 -28.700 31.965 6.051 1.00 75.44 ATOM 333 HG1 ARG 23 -28.622 32.376 7.050 1.00 38.07 ATOM 334 HG2 ARG 23 -29.167 30.997 6.102 1.00 25.41 ATOM 335 CD ARG 23 -29.551 32.903 5.209 1.00 11.45 ATOM 336 HD1 ARG 23 -29.377 32.708 4.156 1.00 38.07 ATOM 337 HD2 ARG 23 -29.262 33.919 5.433 1.00 70.22 ATOM 338 NE ARG 23 -30.976 32.751 5.491 1.00 70.24 ATOM 339 HE ARG 23 -31.423 33.488 5.962 1.00 70.21 ATOM 340 CZ ARG 23 -31.683 31.681 5.145 1.00 62.53 ATOM 341 NH1 ARG 23 -31.100 30.674 4.509 1.00 44.15 ATOM 342 HH11 ARG 23 -30.137 30.690 4.265 1.00 73.01 ATOM 343 HH12 ARG 23 -31.644 29.868 4.265 1.00 22.33 ATOM 344 NH2 ARG 23 -32.976 31.615 5.436 1.00 42.43 ATOM 345 HH21 ARG 23 -33.423 32.372 5.917 1.00 1.14 ATOM 346 HH22 ARG 23 -33.511 30.809 5.175 1.00 62.21 ATOM 347 C ARG 23 -25.384 30.214 5.633 1.00 41.31 ATOM 348 O ARG 23 -25.494 28.990 5.697 1.00 34.21 ATOM 349 N ASP 24 -24.465 30.820 4.889 1.00 62.42 ATOM 350 HN ASP 24 -24.428 31.807 4.876 1.00 38.07 ATOM 351 CA ASP 24 -23.510 30.063 4.087 1.00 32.22 ATOM 352 HA ASP 24 -24.068 29.434 3.403 1.00 44.32 ATOM 353 CB ASP 24 -22.619 31.013 3.285 1.00 30.43 ATOM 354 HB1 ASP 24 -21.748 30.479 2.923 1.00 38.07 ATOM 355 HB2 ASP 24 -22.296 31.822 3.924 1.00 12.22 ATOM 356 CG ASP 24 -23.334 31.604 2.086 1.00 32.24 ATOM 357 OD1 ASP 24 -23.302 32.842 1.928 1.00 61.10 ATOM 358 OD2 ASP 24 -23.927 30.828 1.307 1.00 11.50 ATOM 359 C ASP 24 -22.651 29.164 4.971 1.00 71.44 ATOM 360 O ASP 24 -22.303 28.049 4.584 1.00 21.51 ATOM 361 N GLU 25 -22.313 29.657 6.158 1.00 44.55 ATOM 362 HN GLU 25 -22.606 30.564 6.411 1.00 38.07 ATOM 363 CA GLU 25 -21.492 28.898 7.094 1.00 15.53 ATOM 364 HA GLU 25 -20.544 28.689 6.614 1.00 53.05 ATOM 365 CB GLU 25 -21.251 29.710 8.369 1.00 73.11 ATOM 366 HB1 GLU 25 -21.145 29.031 9.209 1.00 38.07 ATOM 367 HB2 GLU 25 -22.096 30.342 8.547 1.00 0.13 ATOM 368 CG GLU 25 -20.011 30.585 8.308 1.00 43.03 ATOM 369 HG1 GLU 25 -20.272 31.520 7.833 1.00 38.07 ATOM 370 HG2 GLU 25 -19.247 30.088 7.724 1.00 63.33 ATOM 371 CD GLU 25 -19.437 30.881 9.680 1.00 55.41 ATOM 372 OE1 GLU 25 -19.248 32.074 9.998 1.00 51.30 ATOM 373 OE2 GLU 25 -19.178 29.922 10.435 1.00 31.52 ATOM 374 C GLU 25 -22.154 27.568 7.443 1.00 52.23 ATOM 375 O GLU 25 -21.505 26.522 7.448 1.00 42.34 ATOM 376 N ARG 26 -23.450 27.617 7.734 1.00 1.12 ATOM 377 HN ARG 26 -23.916 28.487 7.725 1.00 38.07 ATOM 378 CA ARG 26 -24.200 26.417 8.086 1.00 43.13 ATOM 379 HA ARG 26 -23.807 26.033 9.008 1.00 24.23 ATOM 380 CB ARG 26 -25.683 26.749 8.258 1.00 0.23 ATOM 381 HB1 ARG 26 -26.262 25.837 8.224 1.00 38.07 ATOM 382 HB2 ARG 26 -25.996 27.391 7.453 1.00 52.20 ATOM 383 CG ARG 26 -26.002 27.451 9.568 1.00 25.04 ATOM 384 HG1 ARG 26 -27.056 27.690 9.585 1.00 38.07 ATOM 385 HG2 ARG 26 -25.424 28.362 9.628 1.00 10.42 ATOM 386 CD ARG 26 -25.667 26.575 10.765 1.00 32.34 ATOM 387 HD1 ARG 26 -24.632 26.732 11.030 1.00 38.07 ATOM 388 HD2 ARG 26 -25.815 25.535 10.495 1.00 12.22 ATOM 389 NE ARG 26 -26.504 26.884 11.921 1.00 14.53 ATOM 390 HE ARG 26 -27.054 27.702 11.887 1.00 2.54 ATOM 391 CZ ARG 26 -26.561 26.128 13.012 1.00 72.35 ATOM 392 NH1 ARG 26 -25.833 25.023 13.094 1.00 20.22 ATOM 393 HH11 ARG 26 -25.232 24.737 12.351 1.00 50.53 ATOM 394 HH12 ARG 26 -25.884 24.458 13.920 1.00 44.32 ATOM 395 NH2 ARG 26 -27.347 26.476 14.022 1.00 33.02 ATOM 396 HH21 ARG 26 -27.900 27.310 13.966 1.00 45.35 ATOM 397 HH22 ARG 26 -27.391 25.907 14.846 1.00 34.20 ATOM 398 C ARG 26 -24.030 25.338 7.020 1.00 4.21 ATOM 399 O ARG 26 -23.973 24.148 7.331 1.00 52.30 ATOM 400 N ARG 27 -23.949 25.763 5.763 1.00 31.43 ATOM 401 HN ARG 27 -24.012 26.727 5.569 1.00 38.07 ATOM 402 CA ARG 27 -23.787 24.833 4.652 1.00 74.01 ATOM 403 HA ARG 27 -24.502 24.027 4.776 1.00 73.12 ATOM 404 CB ARG 27 -24.052 25.543 3.323 1.00 74.31 ATOM 405 HB1 ARG 27 -23.436 25.106 2.559 1.00 38.07 ATOM 406 HB2 ARG 27 -23.781 26.585 3.411 1.00 72.12 ATOM 407 CG ARG 27 -25.499 25.457 2.865 1.00 51.04 ATOM 408 HG1 ARG 27 -25.869 24.451 3.015 1.00 38.07 ATOM 409 HG2 ARG 27 -25.544 25.702 1.815 1.00 44.33 ATOM 410 CD ARG 27 -26.383 26.435 3.623 1.00 4.01 ATOM 411 HD1 ARG 27 -27.244 26.671 3.015 1.00 38.07 ATOM 412 HD2 ARG 27 -25.830 27.349 3.806 1.00 63.10 ATOM 413 NE ARG 27 -26.824 25.893 4.905 1.00 20.14 ATOM 414 HE ARG 27 -26.375 26.215 5.705 1.00 44.14 ATOM 415 CZ ARG 27 -27.804 25.005 5.030 1.00 52.14 ATOM 416 NH1 ARG 27 -28.442 24.562 3.955 1.00 65.51 ATOM 417 HH11 ARG 27 -28.206 24.875 3.039 1.00 5.34 ATOM 418 HH12 ARG 27 -29.182 23.894 4.061 1.00 5.11 ATOM 419 NH2 ARG 27 -28.148 24.559 6.231 1.00 75.21 ATOM 420 HH21 ARG 27 -27.674 24.888 7.044 1.00 32.23 ATOM 421 HH22 ARG 27 -28.887 23.889 6.326 1.00 33.04 ATOM 422 C ARG 27 -22.386 24.229 4.648 1.00 51.13 ATOM 423 O ARG 27 -22.186 23.103 4.192 1.00 1.54 ATOM 424 N ALA 28 -21.420 24.986 5.157 1.00 23.25 ATOM 425 HN ALA 28 -21.626 25.888 5.475 1.00 38.07 ATOM 426 CA ALA 28 -20.038 24.525 5.214 1.00 50.02 ATOM 427 HA ALA 28 -19.776 24.106 4.249 1.00 42.44 ATOM 428 CB ALA 28 -19.102 25.694 5.481 1.00 12.45 ATOM 429 HB1 ALA 28 -19.280 26.095 6.468 1.00 22.24 ATOM 430 HB2 ALA 28 -19.284 26.460 4.749 1.00 41.30 ATOM 431 HB3 ALA 28 -18.076 25.362 5.406 1.00 54.13 ATOM 432 C ALA 28 -19.861 23.449 6.280 1.00 73.13 ATOM 433 O ALA 28 -19.469 22.321 5.979 1.00 63.24 ATOM 434 N LEU 29 -20.152 23.804 7.526 1.00 14.12 ATOM 435 HN LEU 29 -20.430 24.732 7.699 1.00 38.07 ATOM 436 CA LEU 29 -20.025 22.868 8.638 1.00 40.20 ATOM 437 HA LEU 29 -18.991 22.558 8.700 1.00 44.12 ATOM 438 CB LEU 29 -20.415 23.549 9.951 1.00 51.31 ATOM 439 HB1 LEU 29 -19.584 24.182 10.233 1.00 38.07 ATOM 440 HB2 LEU 29 -20.510 22.784 10.717 1.00 70.40 ATOM 441 CG LEU 29 -21.688 24.396 9.915 1.00 2.15 ATOM 442 HG LEU 29 -22.111 24.402 8.922 1.00 34.42 ATOM 443 CD1 LEU 29 -22.744 23.811 10.840 1.00 52.01 ATOM 444 HD11 LEU 29 -22.377 23.807 11.858 1.00 3.41 ATOM 445 HD12 LEU 29 -22.970 22.798 10.537 1.00 13.11 ATOM 446 HD13 LEU 29 -23.645 24.407 10.786 1.00 13.44 ATOM 447 CD2 LEU 29 -21.381 25.837 10.298 1.00 63.32 ATOM 448 HD21 LEU 29 -22.270 26.439 10.218 1.00 44.34 ATOM 449 HD22 LEU 29 -20.620 26.235 9.644 1.00 63.34 ATOM 450 HD23 LEU 29 -21.021 25.870 11.318 1.00 45.44 ATOM 451 C LEU 29 -20.894 21.635 8.414 1.00 60.21 ATOM 452 O LEU 29 -20.593 20.552 8.916 1.00 55.22 ATOM 453 N ALA 30 -21.972 21.806 7.655 1.00 5.52 ATOM 454 HN ALA 30 -22.194 22.700 7.310 1.00 38.07 ATOM 455 CA ALA 30 -22.882 20.707 7.361 1.00 64.41 ATOM 456 HA ALA 30 -23.150 20.226 8.294 1.00 32.31 ATOM 457 CB ALA 30 -24.159 21.235 6.726 1.00 75.53 ATOM 458 HB1 ALA 30 -24.692 21.837 7.445 1.00 21.32 ATOM 459 HB2 ALA 30 -24.788 20.409 6.420 1.00 62.03 ATOM 460 HB3 ALA 30 -23.911 21.838 5.865 1.00 4.01 ATOM 461 C ALA 30 -22.222 19.677 6.450 1.00 60.02 ATOM 462 O ALA 30 -22.398 18.472 6.629 1.00 15.42 ATOM 463 N MET 31 -21.462 20.159 5.472 1.00 53.51 ATOM 464 HN MET 31 -21.352 21.134 5.372 1.00 38.07 ATOM 465 CA MET 31 -20.776 19.280 4.533 1.00 60.30 ATOM 466 HA MET 31 -21.313 18.344 4.472 1.00 42.15 ATOM 467 CB MET 31 -20.728 19.919 3.144 1.00 62.01 ATOM 468 HB1 MET 31 -20.127 19.304 2.485 1.00 38.07 ATOM 469 HB2 MET 31 -20.267 20.892 3.228 1.00 1.32 ATOM 470 CG MET 31 -22.098 20.100 2.510 1.00 24.42 ATOM 471 HG1 MET 31 -21.974 20.613 1.574 1.00 38.07 ATOM 472 HG2 MET 31 -22.721 20.688 3.166 1.00 50.42 ATOM 473 SD MET 31 -22.919 18.530 2.173 1.00 52.41 ATOM 474 CE MET 31 -22.086 18.028 0.669 1.00 3.13 ATOM 475 HE1 MET 31 -22.577 17.166 0.257 1.00 54.31 ATOM 476 HE2 MET 31 -21.060 17.787 0.890 1.00 73.20 ATOM 477 HE3 MET 31 -22.123 18.840 -0.035 1.00 15.32 ATOM 478 C MET 31 -19.361 18.970 5.012 1.00 13.45 ATOM 479 O MET 31 -18.655 18.159 4.413 1.00 10.15 ATOM 480 N LYS 32 -18.953 19.622 6.096 1.00 30.00 ATOM 481 HN LYS 32 -19.532 20.271 6.534 1.00 38.07 ATOM 482 CA LYS 32 -17.623 19.416 6.657 1.00 11.43 ATOM 483 HA LYS 32 -17.543 20.018 7.549 1.00 5.21 ATOM 484 CB LYS 32 -17.426 17.945 7.030 1.00 13.45 ATOM 485 HB1 LYS 32 -16.554 17.867 7.663 1.00 38.07 ATOM 486 HB2 LYS 32 -17.259 17.360 6.134 1.00 72.12 ATOM 487 CG LYS 32 -18.605 17.344 7.777 1.00 41.34 ATOM 488 HG1 LYS 32 -19.505 17.495 7.206 1.00 38.07 ATOM 489 HG2 LYS 32 -18.699 17.839 8.732 1.00 21.14 ATOM 490 CD LYS 32 -18.412 15.856 8.018 1.00 51.53 ATOM 491 HD1 LYS 32 -17.693 15.721 8.813 1.00 38.07 ATOM 492 HD2 LYS 32 -18.045 15.387 7.114 1.00 41.32 ATOM 493 CE LYS 32 -19.717 15.182 8.414 1.00 42.34 ATOM 494 HE1 LYS 32 -20.177 15.736 9.222 1.00 38.07 ATOM 495 HE2 LYS 32 -19.497 14.180 8.751 1.00 11.34 ATOM 496 NZ LYS 32 -20.669 15.104 7.272 1.00 54.13 ATOM 497 HZ1 LYS 32 -20.220 14.645 6.451 1.00 12.12 ATOM 498 HZ2 LYS 32 -20.984 16.053 6.995 1.00 64.23 ATOM 499 HZ3 LYS 32 -21.503 14.547 7.547 1.00 41.41 ATOM 500 C LYS 32 -16.543 19.850 5.671 1.00 13.41 ATOM 501 O LYS 32 -15.732 19.037 5.228 1.00 5.51 ATOM 502 N ILE 33 -16.539 21.135 5.333 1.00 12.41 ATOM 503 HN ILE 33 -17.209 21.742 5.729 1.00 38.07 ATOM 504 CA ILE 33 -15.557 21.677 4.402 1.00 73.43 ATOM 505 HA ILE 33 -15.401 20.933 3.638 1.00 72.12 ATOM 506 CB ILE 33 -16.071 22.962 3.726 1.00 22.11 ATOM 507 HB ILE 33 -16.221 23.715 4.488 1.00 22.12 ATOM 508 CG1 ILE 33 -17.404 22.697 3.024 1.00 51.12 ATOM 509 HG11 ILE 33 -17.754 23.613 2.568 1.00 38.07 ATOM 510 HG12 ILE 33 -18.133 22.366 3.749 1.00 25.14 ATOM 511 CG2 ILE 33 -15.041 23.489 2.738 1.00 22.31 ATOM 512 HG21 ILE 33 -14.859 22.767 1.964 1.00 43.34 ATOM 513 HG22 ILE 33 -14.129 23.701 3.241 1.00 75.04 ATOM 514 HG23 ILE 33 -15.411 24.400 2.289 1.00 51.53 ATOM 515 CD1 ILE 33 -17.318 21.645 1.941 1.00 60.42 ATOM 516 HD11 ILE 33 -16.596 21.933 1.196 1.00 43.22 ATOM 517 HD12 ILE 33 -18.285 21.548 1.471 1.00 60.54 ATOM 518 HD13 ILE 33 -17.041 20.695 2.367 1.00 24.14 ATOM 519 C ILE 33 -14.239 21.978 5.106 1.00 21.03 ATOM 520 O ILE 33 -14.203 22.588 6.175 1.00 1.11 ATOM 521 N PRO 34 -13.128 21.542 4.494 1.00 2.32 ATOM 522 CA PRO 34 -11.786 21.756 5.044 1.00 63.03 ATOM 523 HA PRO 34 -11.713 21.402 6.062 1.00 3.45 ATOM 524 CB PRO 34 -10.892 20.904 4.139 1.00 51.02 ATOM 525 HB1 PRO 34 -10.761 19.929 4.583 1.00 38.07 ATOM 526 HB2 PRO 34 -9.923 21.370 4.003 1.00 74.34 ATOM 527 CG PRO 34 -11.638 20.808 2.853 1.00 65.15 ATOM 528 HG1 PRO 34 -11.383 19.887 2.350 1.00 38.07 ATOM 529 HG2 PRO 34 -11.404 21.642 2.236 1.00 62.21 ATOM 530 CD PRO 34 -13.096 20.808 3.218 1.00 11.11 ATOM 531 HD1 PRO 34 -13.449 19.795 3.349 1.00 38.07 ATOM 532 HD2 PRO 34 -13.656 21.299 2.455 1.00 72.13 ATOM 533 C PRO 34 -11.362 23.220 4.986 1.00 63.54 ATOM 534 O PRO 34 -10.758 23.739 5.924 1.00 24.02 ATOM 535 N PHE 35 -11.682 23.880 3.878 1.00 53.10 ATOM 536 HN PHE 35 -12.190 23.425 3.189 1.00 38.07 ATOM 537 CA PHE 35 -11.334 25.285 3.698 1.00 61.45 ATOM 538 HA PHE 35 -10.505 25.513 4.356 1.00 44.23 ATOM 539 CB PHE 35 -10.885 25.540 2.257 1.00 25.53 ATOM 540 HB1 PHE 35 -9.918 25.075 2.112 1.00 38.07 ATOM 541 HB2 PHE 35 -10.782 26.603 2.085 1.00 33.14 ATOM 542 CG PHE 35 -11.830 24.990 1.228 1.00 32.30 ATOM 543 CD1 PHE 35 -11.635 23.727 0.693 1.00 62.22 ATOM 544 HD1 PHE 35 -10.789 23.139 1.014 1.00 30.31 ATOM 545 CD2 PHE 35 -12.914 25.736 0.795 1.00 15.24 ATOM 546 HD2 PHE 35 -13.080 26.721 1.202 1.00 3.32 ATOM 547 CE1 PHE 35 -12.503 23.218 -0.254 1.00 74.33 ATOM 548 HE1 PHE 35 -12.338 22.233 -0.661 1.00 2.13 ATOM 549 CE2 PHE 35 -13.787 25.232 -0.151 1.00 4.31 ATOM 550 HE2 PHE 35 -14.624 25.806 -0.478 1.00 45.13 ATOM 551 CZ PHE 35 -13.580 23.972 -0.677 1.00 51.14 ATOM 552 HZ PHE 35 -14.259 23.577 -1.417 1.00 13.14 ATOM 553 C PHE 35 -12.516 26.187 4.041 1.00 61.44 ATOM 554 O PHE 35 -13.676 25.779 3.988 1.00 74.14 ATOM 555 N PRO 36 -12.215 27.443 4.402 1.00 74.10 ATOM 556 CA PRO 36 -13.238 28.429 4.761 1.00 14.42 ATOM 557 HA PRO 36 -13.893 28.053 5.535 1.00 43.31 ATOM 558 CB PRO 36 -12.422 29.604 5.307 1.00 75.03 ATOM 559 HB1 PRO 36 -12.340 29.512 6.380 1.00 38.07 ATOM 560 HB2 PRO 36 -12.893 30.549 5.062 1.00 33.53 ATOM 561 CG PRO 36 -11.088 29.473 4.657 1.00 74.32 ATOM 562 HG1 PRO 36 -10.326 29.903 5.290 1.00 38.07 ATOM 563 HG2 PRO 36 -11.103 29.960 3.706 1.00 71.23 ATOM 564 CD PRO 36 -10.854 27.997 4.487 1.00 2.11 ATOM 565 HD1 PRO 36 -10.329 27.599 5.343 1.00 38.07 ATOM 566 HD2 PRO 36 -10.294 27.820 3.589 1.00 24.33 ATOM 567 C PRO 36 -14.067 28.869 3.559 1.00 11.10 ATOM 568 O PRO 36 -13.627 28.760 2.414 1.00 22.31 ATOM 569 N THR 37 -15.270 29.368 3.826 1.00 72.02 ATOM 570 HN THR 37 -15.566 29.440 4.765 1.00 38.07 ATOM 571 CA THR 37 -16.161 29.824 2.766 1.00 21.31 ATOM 572 HA THR 37 -16.174 29.078 1.994 1.00 62.45 ATOM 573 CB THR 37 -17.600 30.011 3.283 1.00 4.12 ATOM 574 HB THR 37 -18.220 30.381 2.475 1.00 30.51 ATOM 575 OG1 THR 37 -17.615 30.959 4.356 1.00 0.32 ATOM 576 HG1 THR 37 -17.631 31.850 3.999 1.00 54.12 ATOM 577 CG2 THR 37 -18.180 28.688 3.760 1.00 2.34 ATOM 578 HG21 THR 37 -19.187 28.846 4.117 1.00 72.41 ATOM 579 HG22 THR 37 -17.573 28.294 4.563 1.00 4.42 ATOM 580 HG23 THR 37 -18.196 27.983 2.941 1.00 45.42 ATOM 581 C THR 37 -15.674 31.137 2.166 1.00 43.45 ATOM 582 O THR 37 -15.743 31.340 0.953 1.00 2.12 ATOM 583 N ASP 38 -15.181 32.026 3.021 1.00 43.54 ATOM 584 HN ASP 38 -15.167 31.818 3.985 1.00 38.07 ATOM 585 CA ASP 38 -14.680 33.321 2.574 1.00 42.14 ATOM 586 HA ASP 38 -15.510 33.872 2.150 1.00 12.35 ATOM 587 CB ASP 38 -14.101 34.103 3.754 1.00 51.12 ATOM 588 HB1 ASP 38 -13.431 34.874 3.391 1.00 38.07 ATOM 589 HB2 ASP 38 -13.549 33.430 4.394 1.00 31.11 ATOM 590 CG ASP 38 -15.176 34.776 4.585 1.00 45.31 ATOM 591 OD1 ASP 38 -16.321 34.279 4.588 1.00 50.51 ATOM 592 OD2 ASP 38 -14.871 35.801 5.232 1.00 72.35 ATOM 593 C ASP 38 -13.618 33.149 1.492 1.00 71.12 ATOM 594 O ASP 38 -13.515 33.962 0.573 1.00 25.11 ATOM 595 N LYS 39 -12.830 32.086 1.608 1.00 62.54 ATOM 596 HN LYS 39 -12.943 31.475 2.373 1.00 38.07 ATOM 597 CA LYS 39 -11.775 31.805 0.640 1.00 14.24 ATOM 598 HA LYS 39 -11.191 32.700 0.502 1.00 43.34 ATOM 599 CB LYS 39 -10.852 30.704 1.166 1.00 32.23 ATOM 600 HB1 LYS 39 -11.442 29.828 1.395 1.00 38.07 ATOM 601 HB2 LYS 39 -10.385 31.063 2.072 1.00 3.14 ATOM 602 CG LYS 39 -9.759 30.308 0.189 1.00 51.23 ATOM 603 HG1 LYS 39 -9.269 31.196 -0.181 1.00 38.07 ATOM 604 HG2 LYS 39 -10.219 29.779 -0.626 1.00 51.12 ATOM 605 CD LYS 39 -8.741 29.384 0.835 1.00 4.22 ATOM 606 HD1 LYS 39 -8.393 28.684 0.090 1.00 38.07 ATOM 607 HD2 LYS 39 -9.196 28.837 1.651 1.00 34.22 ATOM 608 CE LYS 39 -7.544 30.158 1.367 1.00 14.42 ATOM 609 HE1 LYS 39 -7.894 31.012 1.933 1.00 38.07 ATOM 610 HE2 LYS 39 -6.953 30.500 0.531 1.00 42.32 ATOM 611 NZ LYS 39 -6.689 29.319 2.251 1.00 63.23 ATOM 612 HZ1 LYS 39 -5.882 29.877 2.596 1.00 50.32 ATOM 613 HZ2 LYS 39 -6.325 28.496 1.728 1.00 71.14 ATOM 614 HZ3 LYS 39 -7.236 28.982 3.071 1.00 13.31 ATOM 615 C LYS 39 -12.366 31.390 -0.703 1.00 70.42 ATOM 616 O LYS 39 -11.736 31.559 -1.748 1.00 11.44 ATOM 617 N ILE 40 -13.578 30.846 -0.669 1.00 11.42 ATOM 618 HN ILE 40 -14.029 30.729 0.185 1.00 38.07 ATOM 619 CA ILE 40 -14.254 30.410 -1.884 1.00 64.44 ATOM 620 HA ILE 40 -13.586 29.748 -2.425 1.00 5.53 ATOM 621 CB ILE 40 -15.545 29.634 -1.563 1.00 64.52 ATOM 622 HB ILE 40 -16.224 30.293 -1.047 1.00 14.04 ATOM 623 CG1 ILE 40 -15.234 28.431 -0.670 1.00 24.12 ATOM 624 HG11 ILE 40 -14.701 28.755 0.209 1.00 38.07 ATOM 625 HG12 ILE 40 -14.618 27.736 -1.217 1.00 12.33 ATOM 626 CG2 ILE 40 -16.226 29.184 -2.847 1.00 41.41 ATOM 627 HG21 ILE 40 -16.452 28.130 -2.825 1.00 25.34 ATOM 628 HG22 ILE 40 -15.606 29.381 -3.701 1.00 44.40 ATOM 629 HG23 ILE 40 -17.150 29.731 -2.954 1.00 43.13 ATOM 630 CD1 ILE 40 -16.467 27.693 -0.199 1.00 33.01 ATOM 631 HD11 ILE 40 -16.925 27.180 -1.025 1.00 11.01 ATOM 632 HD12 ILE 40 -17.175 28.394 0.219 1.00 50.41 ATOM 633 HD13 ILE 40 -16.187 26.975 0.557 1.00 24.22 ATOM 634 C ILE 40 -14.596 31.596 -2.779 1.00 72.34 ATOM 635 O ILE 40 -14.570 31.490 -4.006 1.00 32.03 ATOM 636 N VAL 41 -14.916 32.726 -2.158 1.00 0.33 ATOM 637 HN VAL 41 -14.942 32.757 -1.174 1.00 38.07 ATOM 638 CA VAL 41 -15.261 33.934 -2.897 1.00 40.45 ATOM 639 HA VAL 41 -15.564 33.657 -3.903 1.00 3.13 ATOM 640 CB VAL 41 -16.438 34.679 -2.239 1.00 5.10 ATOM 641 HB VAL 41 -16.107 35.087 -1.292 1.00 32.44 ATOM 642 CG1 VAL 41 -16.898 35.833 -3.117 1.00 31.40 ATOM 643 HG11 VAL 41 -16.123 36.580 -3.179 1.00 63.44 ATOM 644 HG12 VAL 41 -17.784 36.284 -2.690 1.00 10.55 ATOM 645 HG13 VAL 41 -17.128 35.469 -4.109 1.00 1.31 ATOM 646 CG2 VAL 41 -17.585 33.720 -1.959 1.00 42.12 ATOM 647 HG21 VAL 41 -17.905 33.257 -2.881 1.00 54.02 ATOM 648 HG22 VAL 41 -18.414 34.263 -1.525 1.00 42.33 ATOM 649 HG23 VAL 41 -17.263 32.957 -1.266 1.00 11.22 ATOM 650 C VAL 41 -14.068 34.878 -2.996 1.00 3.11 ATOM 651 O VAL 41 -13.971 35.678 -3.926 1.00 20.33 ATOM 652 N ASN 42 -13.160 34.779 -2.030 1.00 33.42 ATOM 653 HN ASN 42 -13.287 34.131 -1.302 1.00 38.07 ATOM 654 CA ASN 42 -11.972 35.624 -2.007 1.00 70.14 ATOM 655 HA ASN 42 -12.279 36.648 -2.193 1.00 32.21 ATOM 656 CB ASN 42 -11.288 35.542 -0.641 1.00 60.42 ATOM 657 HB1 ASN 42 -10.226 35.732 -0.752 1.00 38.07 ATOM 658 HB2 ASN 42 -11.418 34.564 -0.227 1.00 13.45 ATOM 659 CG ASN 42 -11.832 36.562 0.340 1.00 32.42 ATOM 660 OD1 ASN 42 -11.073 37.231 1.042 1.00 74.32 ATOM 661 ND2 ASN 42 -13.153 36.684 0.394 1.00 53.52 ATOM 662 HD21 ASN 42 -13.724 36.130 -0.170 1.00 44.35 ATOM 663 HD22 ASN 42 -13.514 37.347 1.018 1.00 10.02 ATOM 664 C ASN 42 -10.993 35.216 -3.104 1.00 72.41 ATOM 665 O ASN 42 -10.452 36.063 -3.815 1.00 43.13 ATOM 666 N LEU 43 -10.771 33.913 -3.236 1.00 32.40 ATOM 667 HN LEU 43 -11.229 33.280 -2.633 1.00 38.07 ATOM 668 CA LEU 43 -9.858 33.390 -4.247 1.00 0.52 ATOM 669 HA LEU 43 -8.921 33.907 -4.122 1.00 24.15 ATOM 670 CB LEU 43 -9.654 31.887 -4.050 1.00 41.24 ATOM 671 HB1 LEU 43 -9.370 31.439 -4.995 1.00 38.07 ATOM 672 HB2 LEU 43 -10.603 31.459 -3.768 1.00 0.33 ATOM 673 CG LEU 43 -8.611 31.482 -3.009 1.00 24.14 ATOM 674 HG LEU 43 -8.849 31.959 -2.073 1.00 71.33 ATOM 675 CD1 LEU 43 -8.628 29.977 -2.794 1.00 23.52 ATOM 676 HD11 LEU 43 -7.994 29.727 -1.956 1.00 33.31 ATOM 677 HD12 LEU 43 -8.263 29.477 -3.682 1.00 52.34 ATOM 678 HD13 LEU 43 -9.636 29.646 -2.593 1.00 74.00 ATOM 679 CD2 LEU 43 -7.225 31.946 -3.433 1.00 0.31 ATOM 680 HD21 LEU 43 -6.942 31.458 -4.354 1.00 2.02 ATOM 681 HD22 LEU 43 -6.511 31.688 -2.663 1.00 61.00 ATOM 682 HD23 LEU 43 -7.213 33.014 -3.573 1.00 30.21 ATOM 683 C LEU 43 -10.386 33.664 -5.651 1.00 51.43 ATOM 684 O LEU 43 -11.577 33.896 -5.859 1.00 34.11 ATOM 685 N PRO 44 -9.481 33.636 -6.640 1.00 65.23 ATOM 686 CA PRO 44 -9.832 33.876 -8.043 1.00 34.00 ATOM 687 HA PRO 44 -10.364 34.809 -8.165 1.00 24.34 ATOM 688 CB PRO 44 -8.472 33.966 -8.739 1.00 52.24 ATOM 689 HB1 PRO 44 -8.166 35.000 -8.789 1.00 38.07 ATOM 690 HB2 PRO 44 -8.523 33.557 -9.741 1.00 22.51 ATOM 691 CG PRO 44 -7.550 33.179 -7.874 1.00 34.23 ATOM 692 HG1 PRO 44 -6.537 33.539 -7.976 1.00 38.07 ATOM 693 HG2 PRO 44 -7.622 32.163 -8.158 1.00 33.11 ATOM 694 CD PRO 44 -8.043 33.366 -6.466 1.00 14.35 ATOM 695 HD1 PRO 44 -7.546 34.203 -5.999 1.00 38.07 ATOM 696 HD2 PRO 44 -7.875 32.478 -5.914 1.00 51.21 ATOM 697 C PRO 44 -10.660 32.741 -8.636 1.00 30.34 ATOM 698 O PRO 44 -10.863 31.708 -7.997 1.00 65.32 ATOM 699 N VAL 45 -11.136 32.939 -9.861 1.00 32.42 ATOM 700 HN VAL 45 -10.943 33.790 -10.319 1.00 38.07 ATOM 701 CA VAL 45 -11.941 31.930 -10.540 1.00 42.45 ATOM 702 HA VAL 45 -12.725 31.611 -9.861 1.00 61.21 ATOM 703 CB VAL 45 -12.601 32.501 -11.809 1.00 55.33 ATOM 704 HB VAL 45 -13.118 33.411 -11.543 1.00 71.31 ATOM 705 CG1 VAL 45 -11.549 32.840 -12.854 1.00 23.43 ATOM 706 HG11 VAL 45 -10.776 33.456 -12.417 1.00 5.52 ATOM 707 HG12 VAL 45 -12.018 33.386 -13.659 1.00 50.24 ATOM 708 HG13 VAL 45 -11.107 31.937 -13.253 1.00 50.04 ATOM 709 CG2 VAL 45 -13.621 31.519 -12.367 1.00 1.35 ATOM 710 HG21 VAL 45 -14.315 31.238 -11.591 1.00 1.41 ATOM 711 HG22 VAL 45 -13.122 30.635 -12.740 1.00 52.44 ATOM 712 HG23 VAL 45 -14.164 31.989 -13.175 1.00 5.13 ATOM 713 C VAL 45 -11.097 30.719 -10.921 1.00 51.02 ATOM 714 O VAL 45 -11.614 29.611 -11.069 1.00 41.54 ATOM 715 N ASP 46 -9.796 30.937 -11.078 1.00 30.14 ATOM 716 HN ASP 46 -9.433 31.843 -10.953 1.00 38.07 ATOM 717 CA ASP 46 -8.879 29.862 -11.440 1.00 1.43 ATOM 718 HA ASP 46 -9.369 29.231 -12.174 1.00 45.31 ATOM 719 CB ASP 46 -7.596 30.439 -12.041 1.00 72.20 ATOM 720 HB1 ASP 46 -6.730 29.939 -11.622 1.00 38.07 ATOM 721 HB2 ASP 46 -7.526 31.494 -11.817 1.00 74.43 ATOM 722 CG ASP 46 -7.539 30.276 -13.547 1.00 41.12 ATOM 723 OD1 ASP 46 -8.574 30.504 -14.209 1.00 5.22 ATOM 724 OD2 ASP 46 -6.459 29.921 -14.065 1.00 13.44 ATOM 725 C ASP 46 -8.544 29.001 -10.226 1.00 11.54 ATOM 726 O ASP 46 -8.843 27.808 -10.197 1.00 72.43 ATOM 727 N ASP 47 -7.921 29.615 -9.225 1.00 53.15 ATOM 728 HN ASP 47 -7.700 30.567 -9.314 1.00 38.07 ATOM 729 CA ASP 47 -7.545 28.905 -8.008 1.00 55.14 ATOM 730 HA ASP 47 -6.786 28.179 -8.267 1.00 15.32 ATOM 731 CB ASP 47 -6.974 29.881 -6.979 1.00 11.22 ATOM 732 HB1 ASP 47 -6.775 29.349 -6.056 1.00 38.07 ATOM 733 HB2 ASP 47 -7.695 30.648 -6.788 1.00 65.35 ATOM 734 CG ASP 47 -5.679 30.518 -7.442 1.00 3.43 ATOM 735 OD1 ASP 47 -4.708 30.530 -6.655 1.00 75.22 ATOM 736 OD2 ASP 47 -5.635 31.005 -8.591 1.00 22.22 ATOM 737 C ASP 47 -8.743 28.167 -7.418 1.00 61.01 ATOM 738 O ASP 47 -8.597 27.094 -6.832 1.00 61.14 ATOM 739 N PHE 48 -9.927 28.750 -7.575 1.00 61.33 ATOM 740 HN PHE 48 -9.987 29.625 -8.023 1.00 38.07 ATOM 741 CA PHE 48 -11.150 28.148 -7.056 1.00 42.51 ATOM 742 HA PHE 48 -11.005 27.939 -6.004 1.00 41.35 ATOM 743 CB PHE 48 -12.323 29.119 -7.205 1.00 75.34 ATOM 744 HB1 PHE 48 -12.347 29.484 -8.224 1.00 38.07 ATOM 745 HB2 PHE 48 -12.170 29.954 -6.536 1.00 41.13 ATOM 746 CG PHE 48 -13.654 28.505 -6.877 1.00 74.53 ATOM 747 CD1 PHE 48 -14.648 28.419 -7.839 1.00 34.42 ATOM 748 HD1 PHE 48 -14.463 28.798 -8.835 1.00 55.32 ATOM 749 CD2 PHE 48 -13.911 28.013 -5.608 1.00 32.32 ATOM 750 HD2 PHE 48 -13.145 28.073 -4.846 1.00 23.51 ATOM 751 CE1 PHE 48 -15.874 27.855 -7.539 1.00 71.32 ATOM 752 HE1 PHE 48 -16.641 27.794 -8.297 1.00 54.14 ATOM 753 CE2 PHE 48 -15.135 27.447 -5.302 1.00 40.34 ATOM 754 HE2 PHE 48 -15.310 27.079 -4.316 1.00 15.21 ATOM 755 CZ PHE 48 -16.117 27.367 -6.270 1.00 13.31 ATOM 756 HZ PHE 48 -17.074 26.926 -6.034 1.00 72.43 ATOM 757 C PHE 48 -11.462 26.840 -7.777 1.00 44.55 ATOM 758 O PHE 48 -11.649 25.801 -7.147 1.00 10.12 ATOM 759 N ASN 49 -11.516 26.902 -9.104 1.00 63.30 ATOM 760 HN ASN 49 -11.359 27.768 -9.553 1.00 38.07 ATOM 761 CA ASN 49 -11.806 25.723 -9.912 1.00 61.13 ATOM 762 HA ASN 49 -12.817 25.407 -9.692 1.00 23.12 ATOM 763 CB ASN 49 -11.691 26.059 -11.401 1.00 31.44 ATOM 764 HB1 ASN 49 -11.645 25.143 -11.979 1.00 38.07 ATOM 765 HB2 ASN 49 -10.785 26.625 -11.566 1.00 23.22 ATOM 766 CG ASN 49 -12.870 26.869 -11.903 1.00 74.44 ATOM 767 OD1 ASN 49 -13.997 26.700 -11.437 1.00 12.41 ATOM 768 ND2 ASN 49 -12.615 27.753 -12.860 1.00 53.52 ATOM 769 HD21 ASN 49 -11.694 27.844 -13.196 1.00 4.23 ATOM 770 HD22 ASN 49 -13.364 28.287 -13.198 1.00 54.11 ATOM 771 C ASN 49 -10.860 24.578 -9.563 1.00 72.23 ATOM 772 O ASN 49 -11.241 23.409 -9.613 1.00 32.24 ATOM 773 N GLU 50 -9.626 24.923 -9.210 1.00 50.33 ATOM 774 HN GLU 50 -9.363 25.872 -9.204 1.00 38.07 ATOM 775 CA GLU 50 -8.626 23.924 -8.853 1.00 72.23 ATOM 776 HA GLU 50 -8.793 23.035 -9.453 1.00 24.43 ATOM 777 CB GLU 50 -7.219 24.453 -9.137 1.00 51.54 ATOM 778 HB1 GLU 50 -6.488 23.844 -8.615 1.00 38.07 ATOM 779 HB2 GLU 50 -7.149 25.467 -8.769 1.00 70.42 ATOM 780 CG GLU 50 -6.859 24.464 -10.614 1.00 13.14 ATOM 781 HG1 GLU 50 -5.961 25.050 -10.744 1.00 38.07 ATOM 782 HG2 GLU 50 -7.665 24.920 -11.173 1.00 72.00 ATOM 783 CD GLU 50 -6.608 23.073 -11.163 1.00 10.31 ATOM 784 OE1 GLU 50 -7.387 22.630 -12.032 1.00 75.32 ATOM 785 OE2 GLU 50 -5.633 22.429 -10.724 1.00 31.52 ATOM 786 C GLU 50 -8.747 23.534 -7.383 1.00 35.10 ATOM 787 O GLU 50 -8.360 22.434 -6.987 1.00 33.25 ATOM 788 N LEU 51 -9.287 24.443 -6.579 1.00 1.14 ATOM 789 HN LEU 51 -9.536 25.317 -6.934 1.00 38.07 ATOM 790 CA LEU 51 -9.459 24.196 -5.151 1.00 74.03 ATOM 791 HA LEU 51 -8.502 23.921 -4.739 1.00 63.40 ATOM 792 CB LEU 51 -9.941 25.466 -4.448 1.00 41.32 ATOM 793 HB1 LEU 51 -10.902 25.731 -4.867 1.00 38.07 ATOM 794 HB2 LEU 51 -9.247 26.261 -4.677 1.00 63.33 ATOM 795 CG LEU 51 -10.088 25.378 -2.929 1.00 35.31 ATOM 796 HG LEU 51 -10.618 24.477 -2.665 1.00 73.43 ATOM 797 CD1 LEU 51 -8.723 25.325 -2.262 1.00 43.20 ATOM 798 HD11 LEU 51 -8.178 24.462 -2.619 1.00 1.24 ATOM 799 HD12 LEU 51 -8.846 25.248 -1.190 1.00 3.22 ATOM 800 HD13 LEU 51 -8.167 26.223 -2.496 1.00 32.12 ATOM 801 CD2 LEU 51 -10.896 26.555 -2.402 1.00 33.20 ATOM 802 HD21 LEU 51 -11.873 26.560 -2.865 1.00 15.33 ATOM 803 HD22 LEU 51 -10.386 27.481 -2.631 1.00 21.24 ATOM 804 HD23 LEU 51 -11.012 26.465 -1.330 1.00 24.14 ATOM 805 C LEU 51 -10.450 23.061 -4.911 1.00 12.40 ATOM 806 O LEU 51 -10.393 22.379 -3.887 1.00 11.42 ATOM 807 N LEU 52 -11.356 22.863 -5.862 1.00 15.22 ATOM 808 HN LEU 52 -11.377 23.451 -6.651 1.00 38.07 ATOM 809 CA LEU 52 -12.359 21.809 -5.755 1.00 53.11 ATOM 810 HA LEU 52 -12.828 21.908 -4.800 1.00 22.20 ATOM 811 CB LEU 52 -13.416 21.971 -6.849 1.00 72.11 ATOM 812 HB1 LEU 52 -14.038 21.094 -6.855 1.00 38.07 ATOM 813 HB2 LEU 52 -12.896 22.021 -7.797 1.00 73.23 ATOM 814 CG LEU 52 -14.322 23.197 -6.731 1.00 44.54 ATOM 815 HG LEU 52 -13.709 24.079 -6.613 1.00 10.00 ATOM 816 CD1 LEU 52 -15.153 23.370 -7.993 1.00 43.42 ATOM 817 HD11 LEU 52 -14.498 23.480 -8.846 1.00 35.30 ATOM 818 HD12 LEU 52 -15.769 24.254 -7.903 1.00 40.32 ATOM 819 HD13 LEU 52 -15.786 22.504 -8.136 1.00 2.44 ATOM 820 CD2 LEU 52 -15.221 23.081 -5.510 1.00 34.12 ATOM 821 HD21 LEU 52 -15.745 22.134 -5.527 1.00 43.22 ATOM 822 HD22 LEU 52 -15.941 23.882 -5.523 1.00 53.03 ATOM 823 HD23 LEU 52 -14.622 23.146 -4.615 1.00 24.32 ATOM 824 C LEU 52 -11.713 20.431 -5.856 1.00 35.11 ATOM 825 O LEU 52 -12.060 19.516 -5.110 1.00 34.03 ATOM 826 N ALA 53 -10.771 20.291 -6.782 1.00 41.23 ATOM 827 HN ALA 53 -10.531 21.058 -7.354 1.00 38.07 ATOM 828 CA ALA 53 -10.073 19.026 -6.978 1.00 14.33 ATOM 829 HA ALA 53 -10.763 18.213 -6.781 1.00 70.15 ATOM 830 CB ALA 53 -9.610 18.897 -8.421 1.00 25.10 ATOM 831 HB1 ALA 53 -8.898 19.678 -8.646 1.00 73.41 ATOM 832 HB2 ALA 53 -10.461 18.989 -9.079 1.00 41.43 ATOM 833 HB3 ALA 53 -9.146 17.932 -8.570 1.00 61.50 ATOM 834 C ALA 53 -8.889 18.900 -6.026 1.00 22.11 ATOM 835 O ALA 53 -8.498 17.795 -5.650 1.00 22.31 ATOM 836 N ARG 54 -8.321 20.038 -5.641 1.00 11.14 ATOM 837 HN ARG 54 -8.661 20.894 -5.987 1.00 38.07 ATOM 838 CA ARG 54 -7.179 20.054 -4.734 1.00 75.11 ATOM 839 HA ARG 54 -6.382 19.479 -5.189 1.00 73.24 ATOM 840 CB ARG 54 -6.704 21.490 -4.503 1.00 71.45 ATOM 841 HB1 ARG 54 -6.323 21.586 -3.491 1.00 38.07 ATOM 842 HB2 ARG 54 -7.537 22.160 -4.620 1.00 70.34 ATOM 843 CG ARG 54 -5.603 21.927 -5.455 1.00 63.23 ATOM 844 HG1 ARG 54 -5.992 21.936 -6.462 1.00 38.07 ATOM 845 HG2 ARG 54 -4.783 21.226 -5.391 1.00 12.13 ATOM 846 CD ARG 54 -5.087 23.315 -5.111 1.00 15.42 ATOM 847 HD1 ARG 54 -4.590 23.255 -4.153 1.00 38.07 ATOM 848 HD2 ARG 54 -5.924 23.999 -5.043 1.00 74.15 ATOM 849 NE ARG 54 -4.152 23.817 -6.114 1.00 72.32 ATOM 850 HE ARG 54 -4.143 23.378 -6.997 1.00 43.10 ATOM 851 CZ ARG 54 -3.322 24.832 -5.903 1.00 30.02 ATOM 852 NH1 ARG 54 -3.311 25.450 -4.730 1.00 41.41 ATOM 853 HH11 ARG 54 -3.918 25.176 -3.988 1.00 32.25 ATOM 854 HH12 ARG 54 -2.678 26.213 -4.580 1.00 61.11 ATOM 855 NH2 ARG 54 -2.500 25.230 -6.866 1.00 13.24 ATOM 856 HH21 ARG 54 -2.503 24.766 -7.754 1.00 3.21 ATOM 857 HH22 ARG 54 -1.873 25.996 -6.709 1.00 12.23 ATOM 858 C ARG 54 -7.535 19.404 -3.400 1.00 55.21 ATOM 859 O ARG 54 -6.723 18.693 -2.808 1.00 11.21 ATOM 860 N TYR 55 -8.754 19.654 -2.933 1.00 63.41 ATOM 861 HN TYR 55 -9.369 20.230 -3.444 1.00 38.07 ATOM 862 CA TYR 55 -9.216 19.096 -1.668 1.00 33.41 ATOM 863 HA TYR 55 -8.349 18.766 -1.106 1.00 74.54 ATOM 864 CB TYR 55 -9.951 20.162 -0.854 1.00 41.42 ATOM 865 HB1 TYR 55 -10.583 19.693 -0.110 1.00 38.07 ATOM 866 HB2 TYR 55 -10.582 20.735 -1.522 1.00 22.43 ATOM 867 CG TYR 55 -9.027 21.130 -0.150 1.00 43.13 ATOM 868 CD1 TYR 55 -8.818 21.049 1.221 1.00 24.50 ATOM 869 HD1 TYR 55 -9.310 20.275 1.783 1.00 44.21 ATOM 870 CD2 TYR 55 -8.363 22.126 -0.856 1.00 15.32 ATOM 871 HD2 TYR 55 -8.513 22.207 -1.924 1.00 3.32 ATOM 872 CE1 TYR 55 -7.975 21.931 1.869 1.00 63.12 ATOM 873 HE1 TYR 55 -7.826 21.851 2.936 1.00 24.35 ATOM 874 CE2 TYR 55 -7.518 23.012 -0.217 1.00 23.03 ATOM 875 HE2 TYR 55 -7.008 23.777 -0.783 1.00 5.43 ATOM 876 CZ TYR 55 -7.327 22.910 1.146 1.00 43.45 ATOM 877 OH TYR 55 -6.486 23.792 1.786 1.00 31.41 ATOM 878 HH TYR 55 -6.903 24.657 1.844 1.00 70.34 ATOM 879 C TYR 55 -10.133 17.899 -1.903 1.00 64.30 ATOM 880 O TYR 55 -10.727 17.739 -2.969 1.00 62.14 ATOM 881 N PRO 56 -10.251 17.036 -0.883 1.00 11.35 ATOM 882 CA PRO 56 -11.094 15.839 -0.952 1.00 21.12 ATOM 883 HA PRO 56 -10.855 15.234 -1.815 1.00 52.44 ATOM 884 CB PRO 56 -10.732 15.076 0.325 1.00 11.11 ATOM 885 HB1 PRO 56 -9.947 14.369 0.102 1.00 38.07 ATOM 886 HB2 PRO 56 -11.586 14.543 0.723 1.00 15.23 ATOM 887 CG PRO 56 -10.247 16.123 1.267 1.00 13.23 ATOM 888 HG1 PRO 56 -9.542 15.693 1.963 1.00 38.07 ATOM 889 HG2 PRO 56 -11.083 16.556 1.797 1.00 33.41 ATOM 890 CD PRO 56 -9.572 17.164 0.418 1.00 40.12 ATOM 891 HD1 PRO 56 -8.518 16.947 0.326 1.00 38.07 ATOM 892 HD2 PRO 56 -9.718 18.134 0.853 1.00 12.32 ATOM 893 C PRO 56 -12.581 16.177 -0.967 1.00 62.44 ATOM 894 O PRO 56 -13.264 16.065 0.051 1.00 0.14 ATOM 895 N LEU 57 -13.077 16.589 -2.129 1.00 3.34 ATOM 896 HN LEU 57 -12.488 16.652 -2.917 1.00 38.07 ATOM 897 CA LEU 57 -14.484 16.943 -2.277 1.00 72.00 ATOM 898 HA LEU 57 -14.953 16.939 -1.304 1.00 63.13 ATOM 899 CB LEU 57 -14.618 18.351 -2.860 1.00 61.21 ATOM 900 HB1 LEU 57 -15.665 18.623 -2.856 1.00 38.07 ATOM 901 HB2 LEU 57 -14.267 18.325 -3.880 1.00 55.32 ATOM 902 CG LEU 57 -13.831 19.451 -2.146 1.00 33.40 ATOM 903 HG LEU 57 -12.774 19.245 -2.238 1.00 45.02 ATOM 904 CD1 LEU 57 -14.103 20.803 -2.787 1.00 23.15 ATOM 905 HD11 LEU 57 -13.393 21.528 -2.422 1.00 44.45 ATOM 906 HD12 LEU 57 -15.104 21.124 -2.546 1.00 75.15 ATOM 907 HD13 LEU 57 -14.012 20.717 -3.856 1.00 45.04 ATOM 908 CD2 LEU 57 -14.180 19.480 -0.665 1.00 52.11 ATOM 909 HD21 LEU 57 -13.648 20.289 -0.182 1.00 43.41 ATOM 910 HD22 LEU 57 -13.893 18.547 -0.202 1.00 43.43 ATOM 911 HD23 LEU 57 -15.244 19.631 -0.543 1.00 1.40 ATOM 912 C LEU 57 -15.207 15.940 -3.170 1.00 64.43 ATOM 913 O LEU 57 -14.704 15.559 -4.228 1.00 74.14 ATOM 914 N THR 58 -16.390 15.515 -2.739 1.00 13.35 ATOM 915 HN THR 58 -16.735 15.832 -1.875 1.00 38.07 ATOM 916 CA THR 58 -17.183 14.557 -3.499 1.00 2.31 ATOM 917 HA THR 58 -16.531 14.008 -4.173 1.00 30.12 ATOM 918 CB THR 58 -17.875 13.540 -2.572 1.00 65.45 ATOM 919 HB THR 58 -18.628 12.995 -3.130 1.00 55.21 ATOM 920 OG1 THR 58 -18.506 14.220 -1.482 1.00 62.10 ATOM 921 HG1 THR 58 -19.418 14.420 -1.709 1.00 31.30 ATOM 922 CG2 THR 58 -16.873 12.529 -2.035 1.00 4.14 ATOM 923 HG21 THR 58 -16.420 11.994 -2.858 1.00 24.32 ATOM 924 HG22 THR 58 -17.382 11.828 -1.389 1.00 70.15 ATOM 925 HG23 THR 58 -16.106 13.042 -1.473 1.00 74.53 ATOM 926 C THR 58 -18.241 15.263 -4.340 1.00 4.15 ATOM 927 O THR 58 -18.436 16.472 -4.219 1.00 74.12 ATOM 928 N GLU 59 -18.920 14.500 -5.190 1.00 12.11 ATOM 929 HN GLU 59 -18.711 13.537 -5.247 1.00 38.07 ATOM 930 CA GLU 59 -19.959 15.054 -6.051 1.00 4.54 ATOM 931 HA GLU 59 -19.487 15.739 -6.744 1.00 53.24 ATOM 932 CB GLU 59 -20.651 13.938 -6.835 1.00 53.43 ATOM 933 HB1 GLU 59 -21.608 14.301 -7.197 1.00 38.07 ATOM 934 HB2 GLU 59 -20.824 13.100 -6.174 1.00 13.32 ATOM 935 CG GLU 59 -19.849 13.444 -8.027 1.00 40.12 ATOM 936 HG1 GLU 59 -19.075 12.779 -7.672 1.00 38.07 ATOM 937 HG2 GLU 59 -19.394 14.289 -8.527 1.00 10.01 ATOM 938 CD GLU 59 -20.702 12.700 -9.036 1.00 62.23 ATOM 939 OE1 GLU 59 -20.688 11.451 -9.017 1.00 51.02 ATOM 940 OE2 GLU 59 -21.382 13.365 -9.845 1.00 11.14 ATOM 941 C GLU 59 -20.987 15.830 -5.232 1.00 72.41 ATOM 942 O GLU 59 -21.609 16.770 -5.726 1.00 45.25 ATOM 943 N SER 60 -21.162 15.427 -3.977 1.00 65.24 ATOM 944 HN SER 60 -20.675 14.643 -3.637 1.00 38.07 ATOM 945 CA SER 60 -22.117 16.080 -3.091 1.00 35.12 ATOM 946 HA SER 60 -22.999 16.338 -3.665 1.00 63.10 ATOM 947 CB SER 60 -22.531 15.131 -1.965 1.00 35.34 ATOM 948 HB1 SER 60 -21.699 14.974 -1.291 1.00 38.07 ATOM 949 HB2 SER 60 -22.826 14.183 -2.391 1.00 23.45 ATOM 950 OG SER 60 -23.623 15.657 -1.230 1.00 31.41 ATOM 951 HG SER 60 -24.442 15.495 -1.706 1.00 64.54 ATOM 952 C SER 60 -21.528 17.358 -2.503 1.00 4.12 ATOM 953 O SER 60 -22.233 18.348 -2.312 1.00 2.40 ATOM 954 N GLN 61 -20.230 17.327 -2.218 1.00 63.01 ATOM 955 HN GLN 61 -19.714 16.505 -2.379 1.00 38.07 ATOM 956 CA GLN 61 -19.545 18.482 -1.651 1.00 44.51 ATOM 957 HA GLN 61 -20.147 18.894 -0.861 1.00 24.43 ATOM 958 CB GLN 61 -18.194 18.065 -1.066 1.00 35.22 ATOM 959 HB1 GLN 61 -17.680 18.950 -0.710 1.00 38.07 ATOM 960 HB2 GLN 61 -17.606 17.612 -1.843 1.00 11.11 ATOM 961 CG GLN 61 -18.310 17.089 0.094 1.00 1.44 ATOM 962 HG1 GLN 61 -18.738 16.172 -0.263 1.00 38.07 ATOM 963 HG2 GLN 61 -18.961 17.516 0.842 1.00 25.32 ATOM 964 CD GLN 61 -16.971 16.789 0.740 1.00 75.14 ATOM 965 OE1 GLN 61 -16.279 15.848 0.351 1.00 71.22 ATOM 966 NE2 GLN 61 -16.599 17.589 1.732 1.00 53.23 ATOM 967 HE21 GLN 61 -17.193 18.326 2.001 1.00 44.32 ATOM 968 HE22 GLN 61 -15.737 17.411 2.162 1.00 33.52 ATOM 969 C GLN 61 -19.342 19.566 -2.705 1.00 1.32 ATOM 970 O GLN 61 -19.725 20.720 -2.506 1.00 33.11 ATOM 971 N LEU 62 -18.737 19.189 -3.826 1.00 31.23 ATOM 972 HN LEU 62 -18.458 18.251 -3.927 1.00 38.07 ATOM 973 CA LEU 62 -18.483 20.129 -4.912 1.00 22.02 ATOM 974 HA LEU 62 -17.760 20.854 -4.563 1.00 20.32 ATOM 975 CB LEU 62 -17.913 19.394 -6.126 1.00 71.32 ATOM 976 HB1 LEU 62 -18.107 20.005 -7.003 1.00 38.07 ATOM 977 HB2 LEU 62 -18.463 18.468 -6.248 1.00 10.33 ATOM 978 CG LEU 62 -16.415 19.088 -6.084 1.00 55.11 ATOM 979 HG LEU 62 -15.922 19.772 -5.405 1.00 13.54 ATOM 980 CD1 LEU 62 -16.173 17.676 -5.575 1.00 20.13 ATOM 981 HD11 LEU 62 -15.117 17.458 -5.603 1.00 63.52 ATOM 982 HD12 LEU 62 -16.702 16.966 -6.196 1.00 24.15 ATOM 983 HD13 LEU 62 -16.528 17.609 -4.573 1.00 14.12 ATOM 984 CD2 LEU 62 -15.794 19.275 -7.461 1.00 32.44 ATOM 985 HD21 LEU 62 -15.943 20.294 -7.790 1.00 2.22 ATOM 986 HD22 LEU 62 -16.258 18.599 -8.166 1.00 34.43 ATOM 987 HD23 LEU 62 -14.733 19.069 -7.412 1.00 71.12 ATOM 988 C LEU 62 -19.759 20.867 -5.303 1.00 1.42 ATOM 989 O LEU 62 -19.724 22.049 -5.643 1.00 52.52 ATOM 990 N ALA 63 -20.884 20.163 -5.249 1.00 74.43 ATOM 991 HN ALA 63 -20.852 19.212 -4.992 1.00 38.07 ATOM 992 CA ALA 63 -22.172 20.752 -5.593 1.00 51.35 ATOM 993 HA ALA 63 -22.131 21.074 -6.625 1.00 54.14 ATOM 994 CB ALA 63 -23.278 19.715 -5.469 1.00 61.53 ATOM 995 HB1 ALA 63 -24.219 20.146 -5.782 1.00 21.04 ATOM 996 HB2 ALA 63 -23.356 19.386 -4.442 1.00 62.42 ATOM 997 HB3 ALA 63 -23.046 18.868 -6.098 1.00 11.15 ATOM 998 C ALA 63 -22.476 21.960 -4.713 1.00 61.22 ATOM 999 O ALA 63 -23.076 22.936 -5.166 1.00 23.23 ATOM 1000 N LEU 64 -22.059 21.888 -3.454 1.00 34.52 ATOM 1001 HN LEU 64 -21.591 21.081 -3.140 1.00 38.07 ATOM 1002 CA LEU 64 -22.288 22.975 -2.509 1.00 4.31 ATOM 1003 HA LEU 64 -23.276 23.384 -2.686 1.00 31.14 ATOM 1004 CB LEU 64 -22.230 22.450 -1.073 1.00 52.42 ATOM 1005 HB1 LEU 64 -21.267 21.972 -0.949 1.00 38.07 ATOM 1006 HB2 LEU 64 -22.990 21.683 -0.972 1.00 13.10 ATOM 1007 CG LEU 64 -22.415 23.493 0.030 1.00 31.43 ATOM 1008 HG LEU 64 -22.200 24.483 -0.344 1.00 52.03 ATOM 1009 CD1 LEU 64 -23.855 23.501 0.521 1.00 64.02 ATOM 1010 HD11 LEU 64 -23.959 22.919 1.428 1.00 63.21 ATOM 1011 HD12 LEU 64 -24.514 23.092 -0.236 1.00 33.15 ATOM 1012 HD13 LEU 64 -24.146 24.515 0.712 1.00 52.21 ATOM 1013 CD2 LEU 64 -21.459 23.224 1.183 1.00 4.20 ATOM 1014 HD21 LEU 64 -21.857 22.480 1.829 1.00 73.31 ATOM 1015 HD22 LEU 64 -21.332 24.133 1.749 1.00 20.15 ATOM 1016 HD23 LEU 64 -20.493 22.905 0.812 1.00 12.40 ATOM 1017 C LEU 64 -21.259 24.086 -2.698 1.00 71.30 ATOM 1018 O LEU 64 -21.609 25.263 -2.776 1.00 42.55 ATOM 1019 N VAL 65 -19.989 23.702 -2.773 1.00 4.14 ATOM 1020 HN VAL 65 -19.780 22.742 -2.717 1.00 38.07 ATOM 1021 CA VAL 65 -18.909 24.665 -2.956 1.00 61.42 ATOM 1022 HA VAL 65 -18.848 25.267 -2.063 1.00 11.25 ATOM 1023 CB VAL 65 -17.556 23.958 -3.161 1.00 62.14 ATOM 1024 HB VAL 65 -17.585 23.420 -4.100 1.00 51.52 ATOM 1025 CG1 VAL 65 -16.427 24.975 -3.230 1.00 1.13 ATOM 1026 HG11 VAL 65 -16.514 25.680 -2.419 1.00 5.32 ATOM 1027 HG12 VAL 65 -16.492 25.492 -4.164 1.00 3.12 ATOM 1028 HG13 VAL 65 -15.471 24.476 -3.166 1.00 74.20 ATOM 1029 CG2 VAL 65 -17.309 22.949 -2.051 1.00 24.55 ATOM 1030 HG21 VAL 65 -16.250 22.769 -1.943 1.00 70.21 ATOM 1031 HG22 VAL 65 -17.791 22.023 -2.299 1.00 32.11 ATOM 1032 HG23 VAL 65 -17.701 23.319 -1.111 1.00 3.22 ATOM 1033 C VAL 65 -19.181 25.574 -4.149 1.00 3.41 ATOM 1034 O VAL 65 -18.746 26.726 -4.176 1.00 31.01 ATOM 1035 N ARG 66 -19.903 25.050 -5.134 1.00 1.13 ATOM 1036 HN ARG 66 -20.193 24.111 -5.088 1.00 38.07 ATOM 1037 CA ARG 66 -20.232 25.815 -6.330 1.00 75.13 ATOM 1038 HA ARG 66 -19.365 26.402 -6.614 1.00 61.24 ATOM 1039 CB ARG 66 -20.591 24.873 -7.481 1.00 32.31 ATOM 1040 HB1 ARG 66 -21.084 25.443 -8.261 1.00 38.07 ATOM 1041 HB2 ARG 66 -21.273 24.119 -7.116 1.00 42.34 ATOM 1042 CG ARG 66 -19.389 24.172 -8.092 1.00 23.24 ATOM 1043 HG1 ARG 66 -18.966 23.499 -7.366 1.00 38.07 ATOM 1044 HG2 ARG 66 -18.655 24.914 -8.360 1.00 62.24 ATOM 1045 CD ARG 66 -19.775 23.383 -9.333 1.00 22.11 ATOM 1046 HD1 ARG 66 -20.526 22.654 -9.060 1.00 38.07 ATOM 1047 HD2 ARG 66 -18.903 22.864 -9.705 1.00 55.14 ATOM 1048 NE ARG 66 -20.315 24.243 -10.382 1.00 52.21 ATOM 1049 HE ARG 66 -21.282 24.196 -10.549 1.00 2.12 ATOM 1050 CZ ARG 66 -19.573 25.072 -11.108 1.00 0.24 ATOM 1051 NH1 ARG 66 -18.266 25.152 -10.899 1.00 51.11 ATOM 1052 HH11 ARG 66 -17.807 24.599 -10.213 1.00 24.24 ATOM 1053 HH12 ARG 66 -17.720 25.788 -11.448 1.00 13.33 ATOM 1054 NH2 ARG 66 -20.138 25.823 -12.044 1.00 41.15 ATOM 1055 HH21 ARG 66 -21.125 25.768 -12.206 1.00 2.43 ATOM 1056 HH22 ARG 66 -19.580 26.449 -12.593 1.00 23.42 ATOM 1057 C ARG 66 -21.391 26.772 -6.062 1.00 64.42 ATOM 1058 O ARG 66 -21.446 27.867 -6.621 1.00 4.43 ATOM 1059 N ASP 67 -22.313 26.349 -5.205 1.00 54.41 ATOM 1060 HN ASP 67 -22.235 25.455 -4.808 1.00 38.07 ATOM 1061 CA ASP 67 -23.470 27.168 -4.862 1.00 53.43 ATOM 1062 HA ASP 67 -23.892 27.552 -5.785 1.00 14.12 ATOM 1063 CB ASP 67 -24.524 26.325 -4.142 1.00 44.11 ATOM 1064 HB1 ASP 67 -24.286 26.251 -3.088 1.00 38.07 ATOM 1065 HB2 ASP 67 -24.533 25.331 -4.568 1.00 64.34 ATOM 1066 CG ASP 67 -25.920 26.900 -4.281 1.00 5.02 ATOM 1067 OD1 ASP 67 -26.895 26.151 -4.061 1.00 3.11 ATOM 1068 OD2 ASP 67 -26.037 28.099 -4.608 1.00 41.14 ATOM 1069 C ASP 67 -23.060 28.349 -3.987 1.00 74.31 ATOM 1070 O ASP 67 -23.520 29.473 -4.190 1.00 11.05 ATOM 1071 N ILE 68 -22.195 28.085 -3.014 1.00 63.23 ATOM 1072 HN ILE 68 -21.852 27.169 -2.917 1.00 38.07 ATOM 1073 CA ILE 68 -21.723 29.125 -2.109 1.00 15.23 ATOM 1074 HA ILE 68 -22.561 29.443 -1.501 1.00 41.42 ATOM 1075 CB ILE 68 -20.615 28.601 -1.177 1.00 33.34 ATOM 1076 HB ILE 68 -19.782 28.280 -1.789 1.00 53.45 ATOM 1077 CG1 ILE 68 -21.126 27.413 -0.359 1.00 35.40 ATOM 1078 HG11 ILE 68 -21.667 26.729 -0.982 1.00 38.07 ATOM 1079 HG12 ILE 68 -21.792 27.769 0.415 1.00 62.24 ATOM 1080 CG2 ILE 68 -20.126 29.711 -0.259 1.00 22.13 ATOM 1081 HG21 ILE 68 -19.611 30.466 -0.833 1.00 2.20 ATOM 1082 HG22 ILE 68 -19.440 29.305 0.473 1.00 30.41 ATOM 1083 HG23 ILE 68 -20.966 30.160 0.254 1.00 62.41 ATOM 1084 CD1 ILE 68 -20.026 26.627 0.318 1.00 25.31 ATOM 1085 HD11 ILE 68 -19.194 26.496 -0.357 1.00 32.31 ATOM 1086 HD12 ILE 68 -20.403 25.664 0.605 1.00 32.14 ATOM 1087 HD13 ILE 68 -19.694 27.159 1.197 1.00 10.34 ATOM 1088 C ILE 68 -21.195 30.329 -2.882 1.00 24.43 ATOM 1089 O ILE 68 -21.615 31.462 -2.649 1.00 2.21 ATOM 1090 N ARG 69 -20.272 30.074 -3.803 1.00 63.14 ATOM 1091 HN ARG 69 -19.978 29.142 -3.945 1.00 38.07 ATOM 1092 CA ARG 69 -19.686 31.136 -4.612 1.00 3.22 ATOM 1093 HA ARG 69 -19.261 31.870 -3.939 1.00 12.40 ATOM 1094 CB ARG 69 -18.577 30.575 -5.504 1.00 21.22 ATOM 1095 HB1 ARG 69 -19.028 30.005 -6.309 1.00 38.07 ATOM 1096 HB2 ARG 69 -17.963 29.910 -4.915 1.00 1.44 ATOM 1097 CG ARG 69 -17.672 31.643 -6.096 1.00 72.00 ATOM 1098 HG1 ARG 69 -16.835 31.792 -5.429 1.00 38.07 ATOM 1099 HG2 ARG 69 -18.215 32.574 -6.200 1.00 40.25 ATOM 1100 CD ARG 69 -17.139 31.229 -7.459 1.00 21.45 ATOM 1101 HD1 ARG 69 -17.082 30.157 -7.516 1.00 38.07 ATOM 1102 HD2 ARG 69 -16.148 31.643 -7.576 1.00 60.35 ATOM 1103 NE ARG 69 -17.983 31.713 -8.547 1.00 51.32 ATOM 1104 HE ARG 69 -18.825 32.168 -8.311 1.00 43.32 ATOM 1105 CZ ARG 69 -17.678 31.572 -9.832 1.00 52.04 ATOM 1106 NH1 ARG 69 -16.555 30.963 -10.188 1.00 13.13 ATOM 1107 HH11 ARG 69 -15.918 30.604 -9.507 1.00 35.41 ATOM 1108 HH12 ARG 69 -16.344 30.849 -11.160 1.00 64.02 ATOM 1109 NH2 ARG 69 -18.498 32.040 -10.765 1.00 63.12 ATOM 1110 HH21 ARG 69 -19.349 32.501 -10.503 1.00 52.32 ATOM 1111 HH22 ARG 69 -18.270 31.935 -11.735 1.00 13.31 ATOM 1112 C ARG 69 -20.749 31.816 -5.470 1.00 63.42 ATOM 1113 O ARG 69 -20.757 33.038 -5.613 1.00 41.41 ATOM 1114 N ARG 70 -21.643 31.014 -6.039 1.00 51.35 ATOM 1115 HN ARG 70 -21.578 30.039 -5.904 1.00 38.07 ATOM 1116 CA ARG 70 -22.709 31.538 -6.885 1.00 71.20 ATOM 1117 HA ARG 70 -22.256 31.956 -7.772 1.00 31.21 ATOM 1118 CB ARG 70 -23.661 30.413 -7.297 1.00 40.31 ATOM 1119 HB1 ARG 70 -23.958 29.867 -6.421 1.00 38.07 ATOM 1120 HB2 ARG 70 -23.126 29.744 -7.958 1.00 31.24 ATOM 1121 CG ARG 70 -24.918 30.905 -7.996 1.00 60.11 ATOM 1122 HG1 ARG 70 -24.708 31.831 -8.518 1.00 38.07 ATOM 1123 HG2 ARG 70 -25.684 31.076 -7.256 1.00 72.12 ATOM 1124 CD ARG 70 -25.430 29.887 -9.003 1.00 21.20 ATOM 1125 HD1 ARG 70 -25.549 28.926 -8.520 1.00 38.07 ATOM 1126 HD2 ARG 70 -24.696 29.795 -9.791 1.00 3.34 ATOM 1127 NE ARG 70 -26.698 30.297 -9.600 1.00 41.31 ATOM 1128 HE ARG 70 -26.666 30.692 -10.499 1.00 61.33 ATOM 1129 CZ ARG 70 -27.873 30.163 -8.995 1.00 3.42 ATOM 1130 NH1 ARG 70 -27.940 29.633 -7.781 1.00 54.25 ATOM 1131 HH11 ARG 70 -27.124 29.329 -7.296 1.00 74.33 ATOM 1132 HH12 ARG 70 -28.832 29.534 -7.335 1.00 72.44 ATOM 1133 NH2 ARG 70 -28.983 30.561 -9.603 1.00 61.11 ATOM 1134 HH21 ARG 70 -28.939 30.964 -10.520 1.00 2.43 ATOM 1135 HH22 ARG 70 -29.871 30.461 -9.148 1.00 34.41 ATOM 1136 C ARG 70 -23.485 32.637 -6.164 1.00 63.43 ATOM 1137 O ARG 70 -23.877 33.633 -6.771 1.00 52.31 ATOM 1138 N ARG 71 -23.702 32.447 -4.867 1.00 30.20 ATOM 1139 HN ARG 71 -23.365 31.630 -4.429 1.00 38.07 ATOM 1140 CA ARG 71 -24.432 33.421 -4.064 1.00 61.41 ATOM 1141 HA ARG 71 -25.196 33.875 -4.685 1.00 1.32 ATOM 1142 CB ARG 71 -25.097 32.733 -2.870 1.00 44.20 ATOM 1143 HB1 ARG 71 -25.193 33.435 -2.047 1.00 38.07 ATOM 1144 HB2 ARG 71 -24.472 31.912 -2.545 1.00 43.43 ATOM 1145 CG ARG 71 -26.476 32.174 -3.179 1.00 42.33 ATOM 1146 HG1 ARG 71 -26.748 31.475 -2.402 1.00 38.07 ATOM 1147 HG2 ARG 71 -26.453 31.661 -4.131 1.00 10.24 ATOM 1148 CD ARG 71 -27.523 33.275 -3.235 1.00 53.23 ATOM 1149 HD1 ARG 71 -27.210 34.013 -3.961 1.00 38.07 ATOM 1150 HD2 ARG 71 -27.595 33.749 -2.267 1.00 62.43 ATOM 1151 NE ARG 71 -28.831 32.766 -3.639 1.00 52.35 ATOM 1152 HE ARG 71 -29.097 32.900 -4.575 1.00 42.21 ATOM 1153 CZ ARG 71 -29.664 32.141 -2.814 1.00 44.33 ATOM 1154 NH1 ARG 71 -29.326 31.950 -1.547 1.00 31.45 ATOM 1155 HH11 ARG 71 -28.451 32.261 -1.185 1.00 72.42 ATOM 1156 HH12 ARG 71 -29.963 31.481 -0.932 1.00 33.21 ATOM 1157 NH2 ARG 71 -30.837 31.707 -3.257 1.00 1.13 ATOM 1158 HH21 ARG 71 -31.098 31.849 -4.214 1.00 1.03 ATOM 1159 HH22 ARG 71 -31.467 31.235 -2.637 1.00 75.21 ATOM 1160 C ARG 71 -23.503 34.528 -3.575 1.00 22.31 ATOM 1161 O ARG 71 -23.891 35.693 -3.506 1.00 71.02 ATOM 1162 N GLY 72 -22.273 34.154 -3.235 1.00 43.01 ATOM 1163 HN GLY 72 -22.006 33.210 -3.288 1.00 38.07 ATOM 1164 CA GLY 72 -21.308 35.126 -2.756 1.00 2.40 ATOM 1165 HA1 GLY 72 -20.407 34.605 -2.467 1.00 38.07 ATOM 1166 HA2 GLY 72 -21.710 35.632 -1.888 1.00 61.23 ATOM 1167 C GLY 72 -20.955 36.159 -3.808 1.00 4.45 ATOM 1168 O GLY 72 -20.701 37.321 -3.488 1.00 22.15 ATOM 1169 N LYS 73 -20.936 35.737 -5.067 1.00 71.31 ATOM 1170 HN LYS 73 -21.148 34.797 -5.272 1.00 38.07 ATOM 1171 CA LYS 73 -20.611 36.633 -6.171 1.00 21.45 ATOM 1172 HA LYS 73 -19.933 37.397 -5.804 1.00 12.34 ATOM 1173 CB LYS 73 -19.923 35.858 -7.297 1.00 42.42 ATOM 1174 HB1 LYS 73 -20.672 35.457 -7.972 1.00 38.07 ATOM 1175 HB2 LYS 73 -19.371 35.032 -6.866 1.00 43.23 ATOM 1176 CG LYS 73 -18.942 36.696 -8.099 1.00 65.42 ATOM 1177 HG1 LYS 73 -18.072 36.900 -7.489 1.00 38.07 ATOM 1178 HG2 LYS 73 -19.418 37.631 -8.366 1.00 14.24 ATOM 1179 CD LYS 73 -18.523 35.991 -9.379 1.00 14.00 ATOM 1180 HD1 LYS 73 -18.276 36.740 -10.118 1.00 38.07 ATOM 1181 HD2 LYS 73 -19.337 35.381 -9.751 1.00 15.41 ATOM 1182 CE LYS 73 -17.306 35.106 -9.156 1.00 54.41 ATOM 1183 HE1 LYS 73 -17.250 34.393 -9.965 1.00 38.07 ATOM 1184 HE2 LYS 73 -17.410 34.572 -8.220 1.00 4.34 ATOM 1185 NZ LYS 73 -16.044 35.896 -9.128 1.00 12.21 ATOM 1186 HZ1 LYS 73 -16.068 36.592 -8.354 1.00 1.03 ATOM 1187 HZ2 LYS 73 -15.912 36.401 -10.029 1.00 62.22 ATOM 1188 HZ3 LYS 73 -15.233 35.262 -8.981 1.00 4.43 ATOM 1189 C LYS 73 -21.865 37.318 -6.703 1.00 34.12 ATOM 1190 O LYS 73 -21.797 38.413 -7.260 1.00 22.35 ATOM 1191 N ASN 74 -23.010 36.666 -6.526 1.00 53.43 ATOM 1192 HN ASN 74 -23.009 35.780 -6.096 1.00 38.07 ATOM 1193 CA ASN 74 -24.281 37.214 -6.988 1.00 45.23 ATOM 1194 HA ASN 74 -24.261 37.236 -8.068 1.00 71.34 ATOM 1195 CB ASN 74 -25.439 36.326 -6.531 1.00 73.33 ATOM 1196 HB1 ASN 74 -25.290 36.043 -5.499 1.00 38.07 ATOM 1197 HB2 ASN 74 -25.461 35.438 -7.143 1.00 52.24 ATOM 1198 CG ASN 74 -26.783 37.017 -6.659 1.00 70.10 ATOM 1199 OD1 ASN 74 -27.397 37.012 -7.726 1.00 40.31 ATOM 1200 ND2 ASN 74 -27.246 37.616 -5.568 1.00 71.11 ATOM 1201 HD21 ASN 74 -26.711 37.588 -4.742 1.00 44.02 ATOM 1202 HD22 ASN 74 -28.113 38.068 -5.630 1.00 61.14 ATOM 1203 C ASN 74 -24.480 38.636 -6.471 1.00 72.52 ATOM 1204 O ASN 74 -25.078 39.475 -7.145 1.00 1.23 ATOM 1205 N LYS 75 -23.975 38.899 -5.271 1.00 32.13 ATOM 1206 HN LYS 75 -23.530 38.185 -4.759 1.00 38.07 ATOM 1207 CA LYS 75 -24.095 40.218 -4.662 1.00 53.52 ATOM 1208 HA LYS 75 -25.110 40.563 -4.801 1.00 51.10 ATOM 1209 CB LYS 75 -23.801 40.140 -3.163 1.00 20.15 ATOM 1210 HB1 LYS 75 -22.788 39.787 -3.027 1.00 38.07 ATOM 1211 HB2 LYS 75 -24.472 39.428 -2.716 1.00 54.01 ATOM 1212 CG LYS 75 -23.934 41.473 -2.446 1.00 65.40 ATOM 1213 HG1 LYS 75 -23.394 42.236 -2.985 1.00 38.07 ATOM 1214 HG2 LYS 75 -23.499 41.377 -1.461 1.00 63.24 ATOM 1215 CD LYS 75 -25.387 41.897 -2.322 1.00 53.14 ATOM 1216 HD1 LYS 75 -25.953 41.577 -3.185 1.00 38.07 ATOM 1217 HD2 LYS 75 -25.421 42.975 -2.261 1.00 45.10 ATOM 1218 CE LYS 75 -26.029 41.329 -1.066 1.00 1.02 ATOM 1219 HE1 LYS 75 -26.856 41.967 -0.790 1.00 38.07 ATOM 1220 HE2 LYS 75 -25.311 41.315 -0.256 1.00 52.45 ATOM 1221 NZ LYS 75 -26.546 39.949 -1.282 1.00 43.31 ATOM 1222 HZ1 LYS 75 -25.786 39.256 -1.142 1.00 55.45 ATOM 1223 HZ2 LYS 75 -26.933 39.837 -2.244 1.00 21.32 ATOM 1224 HZ3 LYS 75 -27.304 39.748 -0.598 1.00 51.54 ATOM 1225 C LYS 75 -23.147 41.212 -5.326 1.00 20.12 ATOM 1226 O LYS 75 -23.505 42.367 -5.559 1.00 30.51 ATOM 1227 N VAL 76 -21.936 40.755 -5.629 1.00 50.21 ATOM 1228 HN VAL 76 -21.718 39.814 -5.444 1.00 38.07 ATOM 1229 CA VAL 76 -20.937 41.603 -6.268 1.00 51.25 ATOM 1230 HA VAL 76 -20.836 42.508 -5.679 1.00 63.11 ATOM 1231 CB VAL 76 -19.564 40.908 -6.324 1.00 43.24 ATOM 1232 HB VAL 76 -19.636 40.048 -6.977 1.00 1.32 ATOM 1233 CG1 VAL 76 -18.512 41.849 -6.893 1.00 21.34 ATOM 1234 HG11 VAL 76 -17.541 41.373 -6.854 1.00 73.12 ATOM 1235 HG12 VAL 76 -18.484 42.760 -6.312 1.00 70.34 ATOM 1236 HG13 VAL 76 -18.745 42.085 -7.920 1.00 33.11 ATOM 1237 CG2 VAL 76 -19.160 40.416 -4.943 1.00 62.50 ATOM 1238 HG21 VAL 76 -19.857 39.669 -4.598 1.00 5.35 ATOM 1239 HG22 VAL 76 -19.150 41.245 -4.249 1.00 42.11 ATOM 1240 HG23 VAL 76 -18.171 39.979 -4.989 1.00 12.23 ATOM 1241 C VAL 76 -21.361 41.981 -7.683 1.00 53.03 ATOM 1242 O VAL 76 -21.050 43.069 -8.166 1.00 4.32 ATOM 1243 N ALA 77 -22.075 41.074 -8.343 1.00 44.42 ATOM 1244 HN ALA 77 -22.295 40.215 -7.914 1.00 38.07 ATOM 1245 CA ALA 77 -22.544 41.313 -9.702 1.00 52.42 ATOM 1246 HA ALA 77 -21.789 41.880 -10.236 1.00 23.54 ATOM 1247 CB ALA 77 -22.733 39.993 -10.435 1.00 51.51 ATOM 1248 HB1 ALA 77 -21.804 39.443 -10.425 1.00 14.13 ATOM 1249 HB2 ALA 77 -23.025 40.183 -11.458 1.00 54.24 ATOM 1250 HB3 ALA 77 -23.499 39.410 -9.944 1.00 1.44 ATOM 1251 C ALA 77 -23.844 42.111 -9.702 1.00 1.13 ATOM 1252 O ALA 77 -24.062 42.960 -10.565 1.00 74.04 ATOM 1253 N ALA 78 -24.704 41.832 -8.728 1.00 23.14 ATOM 1254 HN ALA 78 -24.487 41.127 -8.073 1.00 38.07 ATOM 1255 CA ALA 78 -25.981 42.525 -8.614 1.00 72.45 ATOM 1256 HA ALA 78 -26.567 42.297 -9.494 1.00 70.12 ATOM 1257 CB ALA 78 -26.747 42.025 -7.398 1.00 62.44 ATOM 1258 HB1 ALA 78 -27.676 42.571 -7.299 1.00 63.44 ATOM 1259 HB2 ALA 78 -26.149 42.168 -6.510 1.00 72.32 ATOM 1260 HB3 ALA 78 -26.965 40.975 -7.519 1.00 11.14 ATOM 1261 C ALA 78 -25.782 44.034 -8.532 1.00 42.25 ATOM 1262 O ALA 78 -26.630 44.806 -8.978 1.00 74.12 ATOM 1263 N GLN 79 -24.656 44.447 -7.960 1.00 1.44 ATOM 1264 HN GLN 79 -24.020 43.790 -7.604 1.00 38.07 ATOM 1265 CA GLN 79 -24.347 45.865 -7.818 1.00 50.44 ATOM 1266 HA GLN 79 -25.274 46.425 -7.781 1.00 4.43 ATOM 1267 CB GLN 79 -23.584 46.116 -6.516 1.00 74.33 ATOM 1268 HB1 GLN 79 -24.171 45.737 -5.692 1.00 38.07 ATOM 1269 HB2 GLN 79 -23.454 47.183 -6.390 1.00 44.44 ATOM 1270 CG GLN 79 -22.219 45.450 -6.473 1.00 63.44 ATOM 1271 HG1 GLN 79 -21.670 45.688 -7.370 1.00 38.07 ATOM 1272 HG2 GLN 79 -22.354 44.383 -6.413 1.00 35.42 ATOM 1273 CD GLN 79 -21.392 45.889 -5.281 1.00 11.00 ATOM 1274 OE1 GLN 79 -21.909 46.037 -4.173 1.00 52.13 ATOM 1275 NE2 GLN 79 -20.100 46.100 -5.502 1.00 2.24 ATOM 1276 HE21 GLN 79 -19.739 45.966 -6.407 1.00 45.53 ATOM 1277 HE22 GLN 79 -19.549 46.385 -4.743 1.00 74.40 ATOM 1278 C GLN 79 -23.529 46.365 -9.005 1.00 11.13 ATOM 1279 O GLN 79 -23.571 47.546 -9.346 1.00 52.15 ATOM 1280 N ASN 80 -22.785 45.457 -9.628 1.00 40.54 ATOM 1281 HN ASN 80 -22.766 44.532 -9.306 1.00 38.07 ATOM 1282 CA ASN 80 -21.956 45.807 -10.776 1.00 71.34 ATOM 1283 HA ASN 80 -21.784 46.878 -10.779 1.00 40.53 ATOM 1284 CB ASN 80 -20.605 45.094 -10.692 1.00 70.40 ATOM 1285 HB1 ASN 80 -20.088 45.168 -11.641 1.00 38.07 ATOM 1286 HB2 ASN 80 -20.768 44.052 -10.459 1.00 23.05 ATOM 1287 CG ASN 80 -19.703 45.688 -9.628 1.00 1.21 ATOM 1288 OD1 ASN 80 -19.926 46.806 -9.163 1.00 43.34 ATOM 1289 ND2 ASN 80 -18.677 44.941 -9.237 1.00 33.32 ATOM 1290 HD21 ASN 80 -18.547 44.054 -9.644 1.00 25.22 ATOM 1291 HD22 ASN 80 -18.082 45.308 -8.550 1.00 15.55 ATOM 1292 C ASN 80 -22.655 45.443 -12.083 1.00 30.12 ATOM 1293 O ASN 80 -22.005 45.145 -13.085 1.00 23.31 ATOM 1294 N TYR 81 -23.983 45.470 -12.064 1.00 41.23 ATOM 1295 HN TYR 81 -24.462 45.750 -11.261 1.00 38.07 ATOM 1296 CA TYR 81 -24.771 45.142 -13.246 1.00 63.34 ATOM 1297 HA TYR 81 -24.228 44.393 -13.817 1.00 2.15 ATOM 1298 CB TYR 81 -26.127 44.565 -12.837 1.00 51.11 ATOM 1299 HB1 TYR 81 -26.841 45.368 -12.687 1.00 38.07 ATOM 1300 HB2 TYR 81 -26.013 44.034 -11.898 1.00 73.12 ATOM 1301 CG TYR 81 -26.705 43.600 -13.848 1.00 3.13 ATOM 1302 CD1 TYR 81 -26.494 42.232 -13.730 1.00 32.43 ATOM 1303 HD1 TYR 81 -25.909 41.857 -12.902 1.00 52.24 ATOM 1304 CD2 TYR 81 -27.460 44.056 -14.921 1.00 1.42 ATOM 1305 HD2 TYR 81 -27.636 45.111 -15.025 1.00 34.21 ATOM 1306 CE1 TYR 81 -27.019 41.346 -14.651 1.00 13.11 ATOM 1307 HE1 TYR 81 -26.844 40.286 -14.541 1.00 71.34 ATOM 1308 CE2 TYR 81 -27.990 43.178 -15.846 1.00 11.21 ATOM 1309 HE2 TYR 81 -28.575 43.553 -16.673 1.00 51.41 ATOM 1310 CZ TYR 81 -27.767 41.824 -15.707 1.00 1.21 ATOM 1311 OH TYR 81 -28.292 40.946 -16.627 1.00 51.21 ATOM 1312 HH TYR 81 -29.030 40.467 -16.238 1.00 41.21 ATOM 1313 C TYR 81 -24.973 46.372 -14.125 1.00 50.15 ATOM 1314 O TYR 81 -24.946 47.505 -13.643 1.00 72.53 ATOM 1315 N ARG 82 -25.176 46.141 -15.418 1.00 70.43 ATOM 1316 HN ARG 82 -25.175 45.212 -15.749 1.00 38.07 ATOM 1317 CA ARG 82 -25.383 47.229 -16.366 1.00 65.12 ATOM 1318 HA ARG 82 -24.724 48.047 -16.092 1.00 41.44 ATOM 1319 CB ARG 82 -25.020 46.776 -17.782 1.00 4.42 ATOM 1320 HB1 ARG 82 -25.529 45.844 -17.987 1.00 38.07 ATOM 1321 HB2 ARG 82 -23.952 46.611 -17.828 1.00 70.20 ATOM 1322 CG ARG 82 -25.400 47.780 -18.858 1.00 43.01 ATOM 1323 HG1 ARG 82 -24.883 48.709 -18.670 1.00 38.07 ATOM 1324 HG2 ARG 82 -26.466 47.948 -18.840 1.00 3.01 ATOM 1325 CD ARG 82 -25.024 47.279 -20.244 1.00 51.51 ATOM 1326 HD1 ARG 82 -24.012 46.896 -20.227 1.00 38.07 ATOM 1327 HD2 ARG 82 -25.076 48.112 -20.932 1.00 53.02 ATOM 1328 NE ARG 82 -25.925 46.228 -20.709 1.00 40.32 ATOM 1329 HE ARG 82 -26.627 45.914 -20.092 1.00 50.21 ATOM 1330 CZ ARG 82 -25.848 45.675 -21.914 1.00 71.52 ATOM 1331 NH1 ARG 82 -24.916 46.070 -22.771 1.00 35.43 ATOM 1332 HH11 ARG 82 -24.259 46.784 -22.532 1.00 75.33 ATOM 1333 HH12 ARG 82 -24.865 45.647 -23.678 1.00 40.21 ATOM 1334 NH2 ARG 82 -26.704 44.723 -22.264 1.00 52.02 ATOM 1335 HH21 ARG 82 -27.410 44.419 -21.621 1.00 43.40 ATOM 1336 HH22 ARG 82 -26.648 44.304 -23.173 1.00 43.11 ATOM 1337 C ARG 82 -26.829 47.714 -16.331 1.00 20.43 ATOM 1338 O ARG 82 -27.764 46.924 -16.471 1.00 5.41 ATOM 1339 N LYS 83 -27.006 49.017 -16.142 1.00 33.22 ATOM 1340 HN LYS 83 -26.224 49.605 -16.024 1.00 38.07 ATOM 1341 CA LYS 83 -28.338 49.608 -16.088 1.00 42.54 ATOM 1342 HA LYS 83 -29.057 48.884 -16.461 1.00 2.43 ATOM 1343 CB LYS 83 -28.702 49.966 -14.646 1.00 31.35 ATOM 1344 HB1 LYS 83 -28.300 50.937 -14.393 1.00 38.07 ATOM 1345 HB2 LYS 83 -28.254 49.230 -13.989 1.00 3.15 ATOM 1346 CG LYS 83 -30.197 49.971 -14.379 1.00 74.41 ATOM 1347 HG1 LYS 83 -30.586 48.985 -14.590 1.00 38.07 ATOM 1348 HG2 LYS 83 -30.671 50.685 -15.036 1.00 43.53 ATOM 1349 CD LYS 83 -30.505 50.315 -12.931 1.00 62.05 ATOM 1350 HD1 LYS 83 -29.832 49.776 -12.276 1.00 38.07 ATOM 1351 HD2 LYS 83 -31.522 50.023 -12.716 1.00 63.13 ATOM 1352 CE LYS 83 -30.364 51.807 -12.671 1.00 72.05 ATOM 1353 HE1 LYS 83 -29.435 52.166 -13.090 1.00 38.07 ATOM 1354 HE2 LYS 83 -30.354 51.967 -11.603 1.00 60.34 ATOM 1355 NZ LYS 83 -31.494 52.581 -13.257 1.00 21.22 ATOM 1356 HZ1 LYS 83 -32.404 52.233 -12.887 1.00 73.41 ATOM 1357 HZ2 LYS 83 -31.497 52.494 -14.292 1.00 62.04 ATOM 1358 HZ3 LYS 83 -31.398 53.587 -13.010 1.00 33.20 ATOM 1359 C LYS 83 -28.416 50.853 -16.967 1.00 2.24 ATOM 1360 O LYS 83 -28.049 51.949 -16.541 1.00 31.42 ATOM 1361 N ARG 84 -28.897 50.677 -18.193 1.00 3.51 ATOM 1362 HN ARG 84 -29.173 49.773 -18.479 1.00 38.07 ATOM 1363 CA ARG 84 -29.023 51.787 -19.130 1.00 61.14 ATOM 1364 HA ARG 84 -29.629 52.552 -18.658 1.00 71.44 ATOM 1365 CB ARG 84 -27.647 52.377 -19.444 1.00 24.15 ATOM 1366 HB1 ARG 84 -27.005 51.585 -19.801 1.00 38.07 ATOM 1367 HB2 ARG 84 -27.220 52.791 -18.545 1.00 22.15 ATOM 1368 CG ARG 84 -27.678 53.470 -20.499 1.00 15.10 ATOM 1369 HG1 ARG 84 -28.097 53.083 -21.415 1.00 38.07 ATOM 1370 HG2 ARG 84 -26.665 53.789 -20.687 1.00 72.34 ATOM 1371 CD ARG 84 -28.501 54.664 -20.040 1.00 32.20 ATOM 1372 HD1 ARG 84 -28.377 54.809 -18.972 1.00 38.07 ATOM 1373 HD2 ARG 84 -29.541 54.461 -20.250 1.00 61.11 ATOM 1374 NE ARG 84 -28.119 55.891 -20.733 1.00 4.23 ATOM 1375 HE ARG 84 -28.752 56.253 -21.391 1.00 41.55 ATOM 1376 CZ ARG 84 -26.974 56.530 -20.518 1.00 63.33 ATOM 1377 NH1 ARG 84 -26.104 56.059 -19.635 1.00 44.24 ATOM 1378 HH11 ARG 84 -26.280 55.232 -19.111 1.00 50.30 ATOM 1379 HH12 ARG 84 -25.241 56.547 -19.488 1.00 4.23 ATOM 1380 NH2 ARG 84 -26.697 57.641 -21.188 1.00 41.21 ATOM 1381 HH21 ARG 84 -27.350 58.001 -21.858 1.00 33.14 ATOM 1382 HH22 ARG 84 -25.834 58.125 -21.027 1.00 13.10 ATOM 1383 C ARG 84 -29.700 51.334 -20.421 1.00 24.11 ATOM 1384 O ARG 84 -29.186 50.473 -21.135 1.00 45.14 ATOM 1385 N LYS 85 -30.856 51.919 -20.713 1.00 51.13 ATOM 1386 HN LYS 85 -31.218 52.606 -20.103 1.00 38.07 ATOM 1387 CA LYS 85 -31.604 51.578 -21.917 1.00 71.43 ATOM 1388 HA LYS 85 -31.757 50.505 -21.923 1.00 73.11 ATOM 1389 CB LYS 85 -32.971 52.265 -21.905 1.00 74.32 ATOM 1390 HB1 LYS 85 -32.829 53.337 -21.878 1.00 38.07 ATOM 1391 HB2 LYS 85 -33.489 51.965 -21.004 1.00 15.13 ATOM 1392 CG LYS 85 -33.848 51.896 -23.090 1.00 2.32 ATOM 1393 HG1 LYS 85 -34.876 51.876 -22.751 1.00 38.07 ATOM 1394 HG2 LYS 85 -33.575 50.915 -23.459 1.00 33.14 ATOM 1395 CD LYS 85 -33.710 52.903 -24.220 1.00 21.32 ATOM 1396 HD1 LYS 85 -32.870 52.632 -24.836 1.00 38.07 ATOM 1397 HD2 LYS 85 -33.557 53.896 -23.817 1.00 12.11 ATOM 1398 CE LYS 85 -34.954 52.934 -25.094 1.00 34.43 ATOM 1399 HE1 LYS 85 -35.816 53.140 -24.474 1.00 38.07 ATOM 1400 HE2 LYS 85 -35.073 51.970 -25.565 1.00 75.31 ATOM 1401 NZ LYS 85 -34.864 53.978 -26.151 1.00 41.12 ATOM 1402 HZ1 LYS 85 -34.047 53.796 -26.771 1.00 13.03 ATOM 1403 HZ2 LYS 85 -34.757 54.920 -25.722 1.00 72.24 ATOM 1404 HZ3 LYS 85 -35.729 53.972 -26.729 1.00 70.44 ATOM 1405 C LYS 85 -30.832 51.980 -23.170 1.00 12.01 ATOM 1406 O LYS 85 -30.178 53.023 -23.200 1.00 4.02 ATOM 1407 N LEU 86 -30.914 51.148 -24.202 1.00 41.13 ATOM 1408 HN LEU 86 -31.458 50.329 -24.127 1.00 38.07 ATOM 1409 CA LEU 86 -30.224 51.418 -25.459 1.00 50.20 ATOM 1410 HA LEU 86 -29.852 52.437 -25.449 1.00 0.43 ATOM 1411 CB LEU 86 -29.034 50.472 -25.624 1.00 23.32 ATOM 1412 HB1 LEU 86 -28.254 50.806 -24.951 1.00 38.07 ATOM 1413 HB2 LEU 86 -28.658 50.584 -26.638 1.00 30.22 ATOM 1414 CG LEU 86 -29.311 48.992 -25.358 1.00 73.30 ATOM 1415 HG LEU 86 -30.334 48.761 -25.627 1.00 52.11 ATOM 1416 CD1 LEU 86 -28.404 48.117 -26.210 1.00 12.14 ATOM 1417 HD11 LEU 86 -28.629 47.075 -26.027 1.00 41.51 ATOM 1418 HD12 LEU 86 -27.370 48.310 -25.960 1.00 52.11 ATOM 1419 HD13 LEU 86 -28.567 48.337 -27.256 1.00 44.03 ATOM 1420 CD2 LEU 86 -29.130 48.672 -23.881 1.00 74.03 ATOM 1421 HD21 LEU 86 -28.117 48.906 -23.581 1.00 43.21 ATOM 1422 HD22 LEU 86 -29.314 47.619 -23.715 1.00 22.22 ATOM 1423 HD23 LEU 86 -29.817 49.242 -23.284 1.00 33.21 ATOM 1424 C LEU 86 -31.173 51.271 -26.644 1.00 12.01 ATOM 1425 O LEU 86 -32.097 50.459 -26.613 1.00 72.14 ATOM 1426 N GLU 87 -30.937 52.061 -27.687 1.00 23.22 ATOM 1427 HN GLU 87 -30.171 52.683 -27.661 1.00 38.07 ATOM 1428 CA GLU 87 -31.771 52.016 -28.882 1.00 45.53 ATOM 1429 HA GLU 87 -32.773 51.721 -28.585 1.00 44.25 ATOM 1430 CB GLU 87 -31.838 53.399 -29.535 1.00 74.42 ATOM 1431 HB1 GLU 87 -30.901 53.606 -30.036 1.00 38.07 ATOM 1432 HB2 GLU 87 -31.986 54.143 -28.762 1.00 74.04 ATOM 1433 CG GLU 87 -32.960 53.537 -30.551 1.00 43.42 ATOM 1434 HG1 GLU 87 -32.887 52.737 -31.272 1.00 38.07 ATOM 1435 HG2 GLU 87 -32.847 54.484 -31.059 1.00 21.34 ATOM 1436 CD GLU 87 -34.334 53.499 -29.912 1.00 12.40 ATOM 1437 OE1 GLU 87 -35.169 52.679 -30.347 1.00 51.53 ATOM 1438 OE2 GLU 87 -34.574 54.290 -28.976 1.00 13.34 ATOM 1439 C GLU 87 -31.235 50.995 -29.882 1.00 3.42 ATOM 1440 O GLU 87 -30.026 50.779 -29.979 1.00 33.42 ATOM 1441 N THR 88 -32.143 50.369 -30.624 1.00 0.50 ATOM 1442 HN THR 88 -33.098 50.582 -30.511 1.00 38.07 ATOM 1443 CA THR 88 -31.764 49.370 -31.615 1.00 4.33 ATOM 1444 HA THR 88 -30.697 49.181 -31.523 1.00 40.30 ATOM 1445 CB THR 88 -32.510 48.042 -31.388 1.00 13.33 ATOM 1446 HB THR 88 -33.286 47.923 -32.136 1.00 22.31 ATOM 1447 OG1 THR 88 -33.129 48.043 -30.096 1.00 71.34 ATOM 1448 HG1 THR 88 -33.952 48.536 -30.133 1.00 63.32 ATOM 1449 CG2 THR 88 -31.559 46.861 -31.499 1.00 62.43 ATOM 1450 HG21 THR 88 -30.780 46.951 -30.755 1.00 2.11 ATOM 1451 HG22 THR 88 -31.116 46.843 -32.485 1.00 44.51 ATOM 1452 HG23 THR 88 -32.106 45.944 -31.336 1.00 11.55 ATOM 1453 C THR 88 -32.046 49.864 -33.029 1.00 60.52 ATOM 1454 O THR 88 -33.139 50.350 -33.320 1.00 51.10 ATOM 1455 N ILE 89 -31.055 49.734 -33.905 1.00 1.43 ATOM 1456 HN ILE 89 -30.199 49.338 -33.625 1.00 38.07 ATOM 1457 CA ILE 89 -31.199 50.166 -35.290 1.00 24.25 ATOM 1458 HA ILE 89 -32.191 50.585 -35.435 1.00 43.43 ATOM 1459 CB ILE 89 -30.172 51.256 -35.649 1.00 1.00 ATOM 1460 HB ILE 89 -29.180 50.838 -35.534 1.00 61.04 ATOM 1461 CG1 ILE 89 -30.322 52.457 -34.713 1.00 51.11 ATOM 1462 HG11 ILE 89 -30.378 52.117 -33.687 1.00 38.07 ATOM 1463 HG12 ILE 89 -31.229 52.995 -34.952 1.00 31.51 ATOM 1464 CG2 ILE 89 -30.339 51.684 -37.099 1.00 74.34 ATOM 1465 HG21 ILE 89 -31.370 51.955 -37.284 1.00 51.22 ATOM 1466 HG22 ILE 89 -30.055 50.887 -37.764 1.00 0.34 ATOM 1467 HG23 ILE 89 -29.711 52.537 -37.306 1.00 53.13 ATOM 1468 CD1 ILE 89 -29.170 53.434 -34.794 1.00 53.24 ATOM 1469 HD11 ILE 89 -29.278 54.179 -34.020 1.00 53.41 ATOM 1470 HD12 ILE 89 -29.173 53.919 -35.758 1.00 54.15 ATOM 1471 HD13 ILE 89 -28.235 52.909 -34.657 1.00 14.14 ATOM 1472 C ILE 89 -31.035 48.993 -36.250 1.00 74.04 ATOM 1473 O ILE 89 -29.966 48.791 -36.825 1.00 45.52 ATOM 1474 N VAL 90 -32.105 48.222 -36.422 1.00 3.04 ATOM 1475 HN VAL 90 -32.929 48.437 -35.929 1.00 38.07 ATOM 1476 CA VAL 90 -32.082 47.070 -37.315 1.00 44.45 ATOM 1477 HA VAL 90 -31.127 46.565 -37.188 1.00 70.32 ATOM 1478 CB VAL 90 -33.200 46.070 -36.970 1.00 74.44 ATOM 1479 HB VAL 90 -33.118 45.815 -35.924 1.00 62.00 ATOM 1480 CG1 VAL 90 -34.567 46.696 -37.201 1.00 72.02 ATOM 1481 HG11 VAL 90 -35.328 46.025 -36.830 1.00 51.01 ATOM 1482 HG12 VAL 90 -34.732 46.863 -38.256 1.00 71.21 ATOM 1483 HG13 VAL 90 -34.643 47.635 -36.675 1.00 62.41 ATOM 1484 CG2 VAL 90 -33.045 44.795 -37.786 1.00 25.12 ATOM 1485 HG21 VAL 90 -32.053 44.388 -37.642 1.00 63.31 ATOM 1486 HG22 VAL 90 -33.200 45.001 -38.836 1.00 12.12 ATOM 1487 HG23 VAL 90 -33.775 44.070 -37.456 1.00 24.02 ATOM 1488 C VAL 90 -32.231 47.501 -38.770 1.00 63.23 ATOM 1489 O VAL 90 -32.976 48.430 -39.079 1.00 2.41 ATOM 1490 N GLN 91 -31.517 46.818 -39.660 1.00 33.01 ATOM 1491 HN GLN 91 -30.932 46.086 -39.348 1.00 38.07 ATOM 1492 HA GLN 91 -31.234 48.150 -41.215 1.00 64.14 ATOM 1493 CB GLN 91 -30.642 46.201 -41.866 1.00 60.40 ATOM 1494 HB1 GLN 91 -29.639 46.323 -41.479 1.00 38.07 ATOM 1495 HB2 GLN 91 -30.652 46.490 -42.909 1.00 61.14 ATOM 1496 CG GLN 91 -31.029 44.734 -41.772 1.00 34.41 ATOM 1497 HG1 GLN 91 -31.781 44.529 -42.519 1.00 38.07 ATOM 1498 HG2 GLN 91 -31.434 44.523 -40.792 1.00 5.21 ATOM 1499 CD GLN 91 -29.855 43.804 -42.007 1.00 34.33 ATOM 1500 OE1 GLN 91 -29.536 42.964 -41.165 1.00 31.40 ATOM 1501 NE2 GLN 91 -29.205 43.949 -43.155 1.00 51.13 ATOM 1502 HE21 GLN 91 -29.503 44.635 -43.794 1.00 11.42 ATOM 1503 HE22 GLN 91 -28.442 43.357 -43.323 1.00 20.03 ATOM 1504 CA GLN 91 -31.571 47.130 -41.083 1.00 45.41 ATOM 1505 C GLN 91 -32.995 47.010 -41.614 1.00 13.41 ATOM 1506 OT1 GLN 91 -33.682 46.017 -41.283 1.00 38.07 ATOM 1507 OT2 GLN 91 -33.419 47.915 -42.363 1.00 38.07 ATOM 1508 OH2 TIP3 1 -27.743 10.131 -5.291 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.765 10.316 -4.352 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -27.053 10.700 -5.632 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -28.180 9.698 -2.369 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.667 8.963 -2.740 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -27.631 9.305 -1.691 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -31.618 23.688 -7.810 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -32.059 22.968 -7.360 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -31.631 24.409 -7.180 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -34.507 28.793 -7.598 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -33.887 28.116 -7.871 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -34.715 28.575 -6.690 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -28.272 14.783 -4.845 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -28.223 15.393 -4.109 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -27.846 15.244 -5.568 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -27.880 16.261 -2.609 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -28.569 16.919 -2.704 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -27.865 16.064 -1.672 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -31.106 25.528 -5.462 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -32.048 25.586 -5.301 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -30.830 26.434 -5.599 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -30.806 13.814 -4.045 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -31.542 14.425 -4.083 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -30.122 14.229 -4.571 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -32.854 27.309 -8.837 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -32.429 26.602 -9.322 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -32.537 28.110 -9.254 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -31.695 25.210 -10.328 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -31.952 24.520 -10.940 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -31.624 24.767 -9.483 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -30.009 23.776 -1.851 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -29.869 23.185 -2.590 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -29.841 24.649 -2.207 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -28.167 20.116 -3.785 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -28.819 20.811 -3.696 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -27.702 20.326 -4.595 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -33.809 25.850 -4.877 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -34.050 26.512 -4.229 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -34.007 25.016 -4.452 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -35.533 26.847 -10.007 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -35.059 27.142 -9.229 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -36.096 27.585 -10.240 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -28.371 26.226 -15.252 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -28.298 27.165 -15.082 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -27.466 25.921 -15.309 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -36.061 29.803 -11.592 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -36.136 29.682 -12.538 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -36.028 30.753 -11.473 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -32.959 28.957 -14.589 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -32.584 28.213 -15.060 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -32.955 28.687 -13.671 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -33.290 28.883 -11.840 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -34.225 28.983 -11.661 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -33.010 28.174 -11.262 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -30.302 17.950 0.206 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -30.709 18.431 -0.514 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -30.261 17.045 -0.101 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -30.224 21.940 -3.936 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -29.582 22.397 -4.479 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -31.054 22.053 -4.398 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -33.604 25.453 -1.535 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -34.505 25.636 -1.803 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -33.570 25.712 -0.614 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -27.909 23.498 -0.331 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -28.761 23.736 -0.698 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -27.319 23.481 -1.084 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -29.577 26.484 -12.703 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -29.950 25.658 -12.393 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -29.300 26.301 -13.600 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.417 21.292 -5.681 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -33.345 21.060 -5.708 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -31.966 20.515 -6.011 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -34.388 23.531 -3.956 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -34.814 23.304 -3.130 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -33.807 22.793 -4.139 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -31.729 28.083 -1.487 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -32.331 27.528 -1.982 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -31.448 28.750 -2.113 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -27.681 28.940 -14.681 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -26.938 29.526 -14.821 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -28.376 29.508 -14.348 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -30.148 15.330 -1.238 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -31.064 15.593 -1.326 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -29.812 15.327 -2.135 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -33.571 26.307 1.057 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -33.922 25.451 1.300 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -32.845 26.450 1.664 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -31.452 27.252 -16.063 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -31.169 26.458 -15.610 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -30.712 27.485 -16.624 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -32.448 22.704 -1.522 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -31.703 23.292 -1.642 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -33.205 23.286 -1.459 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -35.039 21.498 1.734 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -34.086 21.582 1.706 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -35.199 20.787 2.353 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -31.993 20.795 0.377 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -32.274 21.504 -0.201 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -31.050 20.722 0.226 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -28.034 20.654 -10.393 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -28.760 20.175 -9.995 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -27.453 20.860 -9.661 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -29.391 21.145 -0.191 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -28.808 20.411 0.000 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -28.827 21.917 -0.145 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -27.894 19.048 0.493 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -28.757 18.669 0.328 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -27.290 18.309 0.419 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -29.925 17.339 -5.932 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -28.992 17.551 -5.966 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -30.160 17.441 -5.009 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -29.896 18.076 -3.156 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -30.739 18.344 -2.790 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -29.453 18.898 -3.367 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -27.613 12.056 2.198 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -27.263 11.402 1.592 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -27.466 12.893 1.758 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -28.093 14.165 0.547 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -29.010 14.436 0.511 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -27.970 13.630 -0.237 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -36.355 28.380 0.042 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -36.170 28.046 0.920 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -35.508 28.689 -0.280 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -34.010 29.665 -0.714 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -33.333 29.033 -0.954 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -33.688 30.067 0.094 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -29.092 12.255 -1.634 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -29.905 12.580 -2.022 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -28.859 11.495 -2.167 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -36.086 29.725 -4.664 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -36.543 30.254 -5.318 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -35.923 30.328 -3.939 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -33.759 28.603 -3.719 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -34.663 28.768 -3.985 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -33.330 29.456 -3.785 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -28.793 12.950 -8.865 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -28.181 12.436 -9.392 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -28.410 13.828 -8.842 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -29.807 27.608 0.439 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -30.589 27.422 -0.081 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -29.879 28.537 0.656 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -34.257 21.494 9.325 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -34.168 22.438 9.193 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -34.896 21.219 8.667 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.618 23.688 11.046 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -32.059 22.968 11.496 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.631 24.409 11.676 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -34.507 28.793 11.258 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -33.887 28.116 10.985 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -34.715 28.575 12.166 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -34.460 24.095 8.368 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -34.756 23.773 7.517 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -34.784 24.995 8.410 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -32.854 27.309 10.019 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -32.429 26.602 9.534 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -32.537 28.110 9.602 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -31.695 25.210 8.528 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -31.952 24.520 7.916 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -31.624 24.767 9.373 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -30.009 23.776 17.005 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -29.869 23.185 16.266 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -29.841 24.649 16.649 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -28.167 20.116 15.071 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -28.819 20.811 15.160 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -27.702 20.326 14.261 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -32.130 20.948 7.729 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -32.862 21.176 8.302 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -31.683 20.234 8.184 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -33.809 25.850 13.979 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -34.050 26.512 14.627 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -34.007 25.016 14.404 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -33.259 20.110 5.414 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -32.680 20.260 6.161 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.845 20.581 4.691 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -35.533 26.847 8.849 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -35.059 27.142 9.627 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -36.096 27.585 8.616 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -27.454 26.457 18.582 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -27.503 25.502 18.545 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -28.280 26.725 18.984 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -36.061 29.803 7.264 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -36.136 29.682 6.318 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -36.028 30.753 7.383 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -31.782 21.143 3.044 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -31.740 20.920 2.114 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -30.933 21.541 3.234 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -30.172 30.325 19.689 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -29.972 30.749 18.854 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -29.516 30.668 20.296 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -30.224 21.940 14.920 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -29.582 22.397 14.377 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -31.054 22.053 14.458 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -35.248 24.266 5.159 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -35.543 25.092 5.541 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -35.951 23.646 5.355 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -33.604 25.453 17.321 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -34.505 25.636 17.053 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -33.570 25.712 18.242 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -27.873 17.698 5.688 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -28.427 17.302 5.016 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -27.772 18.608 5.411 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -27.909 23.498 18.525 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -28.761 23.736 18.158 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -27.319 23.481 17.772 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -32.417 21.292 13.175 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -33.345 21.060 13.148 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -31.966 20.515 12.845 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -34.388 23.531 14.900 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.814 23.304 15.726 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -33.807 22.793 14.717 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -31.729 28.083 17.369 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -32.331 27.528 16.874 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -31.448 28.750 16.743 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -36.419 26.840 5.626 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -37.236 27.337 5.679 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -35.890 27.315 4.986 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -39.081 27.883 5.608 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -38.920 28.683 5.107 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -39.278 28.190 6.493 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -36.056 27.435 2.559 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -36.700 26.804 2.881 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -35.294 26.904 2.327 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -35.145 24.209 2.386 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -35.413 24.389 3.287 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -35.351 23.283 2.255 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -32.448 22.704 17.334 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -31.703 23.292 17.214 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.205 23.286 17.397 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -38.379 30.068 4.220 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -37.446 30.226 4.364 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -38.643 30.743 3.595 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -29.729 24.344 21.125 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -30.595 24.239 21.519 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -29.353 25.103 21.572 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -28.034 20.654 8.463 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -28.760 20.175 8.861 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -27.453 20.860 9.195 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -27.766 20.555 4.854 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -28.287 20.912 4.135 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -27.799 21.230 5.532 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -29.417 17.795 3.405 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -29.320 18.462 2.725 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -29.557 16.979 2.923 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -30.247 19.175 9.026 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -30.397 18.230 9.006 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -30.601 19.456 9.870 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -29.391 21.145 18.665 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -28.808 20.411 18.856 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -28.827 21.917 18.711 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -30.169 15.203 2.522 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -29.559 14.831 3.159 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -31.006 14.781 2.718 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -30.537 16.758 7.488 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -30.257 15.851 7.613 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -29.778 17.192 7.099 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -28.057 14.088 4.065 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -27.644 13.367 3.589 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -27.375 14.758 4.123 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -31.005 29.077 9.137 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -30.352 28.730 8.529 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -30.494 29.566 9.783 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -33.759 28.603 15.137 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -34.663 28.768 14.871 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -33.330 29.456 15.071 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -31.154 30.173 15.432 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -31.336 31.089 15.221 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -30.978 29.763 14.585 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -29.807 27.608 19.295 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -30.589 27.422 18.775 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -29.879 28.537 19.512 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -34.257 40.350 -47.243 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -34.168 41.294 -47.375 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -34.896 40.075 -47.901 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -35.324 39.605 -43.824 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -35.362 38.959 -43.119 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -35.647 39.139 -44.595 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -36.935 42.038 -43.418 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -36.631 41.352 -44.012 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -36.213 42.156 -42.800 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -34.460 42.951 -48.200 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -34.756 42.629 -49.051 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -34.784 43.851 -48.158 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -39.260 41.127 -41.456 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -40.000 41.725 -41.353 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.546 41.681 -41.772 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -40.852 43.091 -40.669 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -40.858 43.970 -41.047 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -41.706 43.008 -40.244 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -32.854 46.165 -46.549 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -32.429 45.458 -47.034 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -32.537 46.966 -46.966 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -31.695 44.066 -48.040 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -31.952 43.376 -48.652 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -31.624 43.623 -47.195 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -28.167 38.972 -41.497 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -28.819 39.667 -41.408 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -27.702 39.182 -42.307 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.130 39.804 -48.839 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.862 40.032 -48.266 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -31.683 39.090 -48.384 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -32.233 37.978 -39.771 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.153 38.741 -39.199 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -32.834 38.257 -40.462 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -39.118 43.862 -44.275 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -39.213 43.284 -45.032 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -38.389 43.491 -43.779 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -39.238 43.602 -38.606 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -39.550 44.384 -38.150 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -39.888 43.449 -39.292 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -35.533 45.703 -47.719 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -35.059 45.998 -46.941 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -36.096 46.441 -47.952 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -40.999 45.674 -37.842 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -40.991 45.538 -38.790 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -41.915 45.556 -37.590 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -27.454 45.313 -37.986 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -27.503 44.358 -38.023 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -28.280 45.581 -37.584 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -36.061 48.659 -49.304 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -36.136 48.538 -50.250 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -36.028 49.609 -49.185 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -33.290 47.739 -49.552 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -34.225 47.839 -49.373 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -33.010 47.030 -48.974 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -30.302 36.806 -37.506 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -30.709 37.287 -38.226 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -30.261 35.901 -37.813 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.808 37.438 -37.201 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -36.371 36.734 -36.881 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -34.982 37.318 -36.734 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.642 38.347 -41.204 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -34.318 37.716 -41.847 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -35.082 37.812 -40.543 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -35.854 41.847 -39.197 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -36.200 41.466 -38.391 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -36.054 42.781 -39.126 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -38.224 38.936 -37.137 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -38.520 38.770 -38.032 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -37.293 38.716 -37.147 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -29.577 45.340 -50.415 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -29.950 44.514 -50.105 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -29.300 45.157 -51.312 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -32.417 40.148 -43.393 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -33.345 39.916 -43.420 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -31.966 39.371 -43.723 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -37.932 46.288 -41.369 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -37.569 47.143 -41.602 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -37.400 45.996 -40.628 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -31.319 41.989 -50.368 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -31.596 41.261 -49.812 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -30.392 42.108 -50.162 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -31.546 37.937 -44.854 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -32.343 37.522 -45.183 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -31.101 37.246 -44.363 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -40.148 46.783 -35.384 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -39.380 46.324 -35.043 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -40.169 46.557 -36.314 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -38.183 41.644 -36.617 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -38.511 41.915 -37.475 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -38.031 40.703 -36.705 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -35.039 40.354 -35.978 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -34.086 40.438 -36.006 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -35.199 39.643 -35.359 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -37.725 39.047 -40.441 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -36.974 38.891 -41.014 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -38.064 39.899 -40.717 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -31.993 39.651 -37.335 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -32.274 40.360 -37.913 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -31.050 39.578 -37.486 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -29.729 43.200 -35.443 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -30.595 43.095 -35.049 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -29.353 43.959 -34.996 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -28.428 41.457 -49.929 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -27.578 41.878 -49.801 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -28.423 40.717 -49.321 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -28.034 39.510 -48.105 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -28.760 39.031 -47.707 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -27.453 39.716 -47.373 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -30.247 38.031 -47.542 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -30.397 37.086 -47.562 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -30.601 38.312 -46.698 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -29.391 40.001 -37.903 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -28.808 39.267 -37.712 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -28.827 40.773 -37.857 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -27.894 37.904 -37.219 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -28.757 37.525 -37.384 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -27.290 37.165 -37.293 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -29.925 36.195 -43.644 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -28.992 36.407 -43.678 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -30.160 36.297 -42.721 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -29.896 36.932 -40.868 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -30.739 37.200 -40.502 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -29.453 37.754 -41.079 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -31.005 47.933 -47.431 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -30.352 47.586 -48.039 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -30.494 48.422 -46.785 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -40.666 45.837 -40.629 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -41.091 46.646 -40.912 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -39.761 45.922 -40.931 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -40.797 48.693 -41.552 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -41.662 48.765 -41.148 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -40.852 49.240 -42.336 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -39.171 46.896 -44.168 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -38.958 46.008 -44.455 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -39.106 46.862 -43.213 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -29.025 47.713 -49.423 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -29.219 46.965 -49.988 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -29.064 48.471 -50.007 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -34.257 40.350 -28.387 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -34.168 41.294 -28.519 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -34.896 40.075 -29.045 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -31.618 42.544 -26.666 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -32.059 41.824 -26.216 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -31.631 43.265 -26.036 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -27.880 35.117 -21.465 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -28.569 35.775 -21.560 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -27.865 34.920 -20.528 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -34.460 42.951 -29.344 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -34.756 42.629 -30.195 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -34.784 43.851 -29.302 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -31.106 44.384 -24.318 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -32.048 44.442 -24.157 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -30.830 45.290 -24.455 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -30.009 42.632 -20.707 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -29.869 42.041 -21.446 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -29.841 43.505 -21.063 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -28.167 38.972 -22.641 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -28.819 39.667 -22.552 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -27.702 39.182 -23.451 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -32.130 39.804 -29.983 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -32.862 40.032 -29.410 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.683 39.090 -29.528 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -32.233 37.978 -20.915 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -32.153 38.741 -20.343 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -32.834 38.257 -21.606 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -33.809 44.706 -23.733 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -34.050 45.368 -23.085 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -34.007 43.872 -23.308 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -28.371 45.082 -34.108 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -28.298 46.021 -33.938 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -27.466 44.777 -34.165 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -30.302 36.806 -18.650 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -30.709 37.287 -19.370 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -30.261 35.901 -18.957 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.782 39.999 -34.668 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -31.740 39.776 -35.598 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -30.933 40.397 -34.478 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -37.374 41.663 -31.578 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -38.118 41.156 -31.901 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -37.508 41.712 -30.632 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -30.224 40.796 -22.792 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -29.582 41.253 -23.335 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -31.054 40.909 -23.254 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -35.248 43.122 -32.553 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -35.543 43.948 -32.171 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -35.951 42.502 -32.357 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -33.604 44.309 -20.391 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -34.505 44.492 -20.659 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -33.570 44.568 -19.470 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -32.417 40.148 -24.537 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -33.345 39.916 -24.564 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -31.966 39.371 -24.867 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -39.874 44.476 -28.404 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -39.347 45.249 -28.605 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -40.754 44.701 -28.706 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -37.932 46.288 -22.513 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -37.569 47.143 -22.746 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -37.400 45.996 -21.772 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -39.763 47.161 -29.283 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -40.713 47.266 -29.231 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -39.412 47.981 -28.938 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -32.185 43.316 -33.738 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -31.832 42.936 -32.934 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -33.134 43.223 -33.652 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -31.729 46.939 -20.343 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -32.331 46.384 -20.838 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -31.448 47.606 -20.969 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -31.319 41.989 -31.512 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -31.596 41.261 -30.956 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -30.392 42.108 -31.306 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -38.094 44.428 -35.291 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -37.855 43.680 -35.839 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -38.363 44.040 -34.459 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -39.157 43.998 -32.835 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -39.010 43.478 -32.045 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -39.160 44.905 -32.529 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -36.419 45.696 -32.086 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -37.236 46.193 -32.033 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -35.890 46.171 -32.726 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -39.081 46.739 -32.104 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -38.920 47.539 -32.605 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -39.278 47.046 -31.219 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -30.148 34.186 -20.094 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -31.064 34.449 -20.182 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -29.812 34.183 -20.991 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -33.571 45.163 -17.799 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -33.922 44.307 -17.556 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -32.845 45.306 -17.192 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -40.497 42.018 -35.062 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -40.433 41.224 -34.531 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -39.844 41.899 -35.751 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -32.448 41.560 -20.378 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -31.703 42.148 -20.498 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.205 42.142 -20.315 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -35.039 40.354 -17.122 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -34.086 40.438 -17.150 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -35.199 39.643 -16.503 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -28.887 40.588 -35.048 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -29.160 40.163 -35.861 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -28.847 41.519 -35.265 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -33.309 36.862 -16.557 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -33.117 35.931 -16.668 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -32.452 37.287 -16.567 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -31.993 39.651 -18.479 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -32.274 40.360 -19.057 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -31.050 39.578 -18.630 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -38.379 48.924 -33.492 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -37.446 49.082 -33.348 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -38.643 49.599 -34.117 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -28.428 41.457 -31.073 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -27.578 41.878 -30.945 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -28.423 40.717 -30.465 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.896 36.932 -22.012 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -30.739 37.200 -21.646 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -29.453 37.754 -22.223 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -27.613 30.912 -16.658 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -27.263 30.258 -17.264 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -27.466 31.749 -17.098 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -36.355 47.236 -18.814 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -36.170 46.902 -17.936 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -35.508 47.545 -19.136 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -34.010 48.521 -19.570 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -33.333 47.889 -19.810 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -33.688 48.923 -18.762 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -40.797 48.693 -22.696 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -41.662 48.765 -22.292 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -40.852 49.240 -23.480 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -36.086 48.581 -23.520 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -36.543 49.110 -24.174 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -35.923 49.184 -22.795 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -33.759 47.459 -22.575 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -34.663 47.624 -22.841 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -33.330 48.312 -22.641 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -39.171 46.896 -25.312 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -38.958 46.008 -25.599 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -39.106 46.862 -24.357 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -34.257 40.350 -9.531 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -34.168 41.294 -9.663 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -34.896 40.075 -10.189 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -31.618 42.544 -7.810 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -32.059 41.824 -7.360 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -31.631 43.265 -7.180 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -34.507 47.649 -7.598 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -33.887 46.972 -7.871 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -34.715 47.431 -6.690 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -33.794 36.432 -5.378 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -33.651 35.485 -5.358 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -33.900 36.639 -6.307 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -32.917 34.664 -9.705 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -32.271 34.335 -9.080 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -32.407 35.182 -10.328 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -31.153 33.955 -7.724 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -31.368 33.189 -7.192 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -30.497 34.427 -7.211 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -31.106 44.384 -5.462 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -32.048 44.442 -5.301 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -30.830 45.290 -5.599 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -37.803 30.757 -6.579 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -37.920 29.808 -6.633 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -38.658 31.089 -6.306 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -32.854 46.165 -8.837 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -32.429 45.458 -9.322 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -32.537 46.966 -9.254 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -31.695 44.066 -10.328 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -31.952 43.376 -10.940 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -31.624 43.623 -9.483 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -30.009 42.632 -1.851 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -29.869 42.041 -2.590 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -29.841 43.505 -2.207 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -35.482 38.052 -15.040 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -34.781 38.074 -14.389 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -35.180 37.424 -15.696 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -32.130 39.804 -11.127 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -32.862 40.032 -10.554 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -31.683 39.090 -10.672 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -32.233 37.978 -2.059 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -32.153 38.741 -1.487 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -32.834 38.257 -2.750 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -33.809 44.706 -4.877 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -34.050 45.368 -4.229 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -34.007 43.872 -4.452 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -33.259 38.966 -13.442 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -32.680 39.116 -12.695 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -32.845 39.437 -14.165 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -35.533 45.703 -10.007 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -35.059 45.998 -9.229 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -36.096 46.441 -10.240 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -29.561 30.716 -13.629 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -30.460 30.855 -13.334 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -29.309 31.547 -14.031 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -27.454 45.313 -0.274 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -27.503 44.358 -0.311 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -28.280 45.581 0.128 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -36.061 48.659 -11.592 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -36.136 48.538 -12.538 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -36.028 49.609 -11.473 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -30.302 36.806 0.206 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -30.709 37.287 -0.514 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -30.261 35.901 -0.101 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -35.871 31.382 -2.427 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -35.451 30.967 -1.674 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -36.804 31.204 -2.310 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -32.545 35.138 -1.573 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -33.059 35.012 -0.776 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -32.700 36.050 -1.818 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -33.906 36.709 -8.163 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -34.101 37.314 -8.878 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -33.724 35.875 -8.598 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -34.642 38.347 -3.492 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -34.318 37.716 -4.135 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -35.082 37.812 -2.831 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -30.224 40.796 -3.936 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -29.582 41.253 -4.479 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -31.054 40.909 -4.398 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -33.476 34.477 -14.523 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -34.414 34.589 -14.674 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -33.179 35.334 -14.217 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -32.758 36.344 -12.862 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -31.866 36.207 -12.543 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -32.701 37.135 -13.399 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -35.248 43.122 -13.697 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -35.543 43.948 -13.315 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -35.951 42.502 -13.501 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -27.873 36.554 -13.168 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -28.427 36.158 -13.840 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -27.772 37.464 -13.445 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -32.417 40.148 -5.681 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -33.345 39.916 -5.708 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -31.966 39.371 -6.011 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -32.185 43.316 -14.882 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -31.832 42.936 -14.078 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -33.134 43.223 -14.796 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -31.319 41.989 -12.656 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -31.596 41.261 -12.100 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -30.392 42.108 -12.450 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -34.872 33.913 -3.190 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -34.174 33.987 -2.540 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -35.253 33.049 -3.035 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -34.088 33.565 -12.093 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -33.868 34.037 -12.896 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -33.530 33.960 -11.422 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -36.419 45.696 -13.230 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -37.236 46.193 -13.177 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -35.890 46.171 -13.870 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -36.352 36.279 -2.073 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -36.233 36.853 -1.316 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -35.697 35.591 -1.958 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -36.004 32.374 -10.320 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -36.351 32.992 -9.675 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -35.346 32.875 -10.801 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -31.546 37.937 -7.142 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -32.343 37.522 -7.471 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -31.101 37.246 -6.651 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -30.459 47.193 -5.520 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -30.615 47.871 -6.177 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -29.527 47.265 -5.317 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -36.056 46.291 -16.297 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -36.700 45.660 -15.975 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -35.294 45.760 -16.529 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -35.145 43.065 -16.470 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -35.413 43.245 -15.569 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -35.351 42.139 -16.601 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -32.448 41.560 -1.522 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -31.703 42.148 -1.642 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -33.205 42.142 -1.459 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -33.309 36.862 2.299 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -33.117 35.931 2.188 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -32.452 37.287 2.289 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -31.993 39.651 0.377 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -32.274 40.360 -0.201 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -31.050 39.578 0.226 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -38.501 31.064 -2.537 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -38.599 32.011 -2.643 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -39.244 30.692 -3.013 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -37.237 35.386 1.026 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -37.473 35.166 1.928 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -38.020 35.179 0.517 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -34.521 34.513 0.102 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -35.469 34.545 0.234 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -34.209 33.888 0.756 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -38.279 30.358 0.134 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -37.567 29.718 0.120 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -38.380 30.625 -0.780 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -37.926 32.041 2.188 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -38.057 31.565 1.367 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -38.525 32.785 2.132 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -38.379 48.924 -14.636 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -37.446 49.082 -14.492 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -38.643 49.599 -15.261 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -27.743 47.843 -5.291 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -27.765 48.028 -4.352 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -27.053 48.412 -5.632 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -28.180 47.410 -2.369 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -28.667 46.675 -2.740 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -27.631 47.017 -1.691 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -29.729 43.200 2.269 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -30.595 43.095 2.663 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -29.353 43.959 2.716 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -29.788 45.173 -3.138 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -30.436 45.498 -2.513 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -30.306 44.733 -3.813 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -29.417 36.651 -15.451 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -29.320 37.318 -16.131 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -29.557 35.835 -15.933 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -30.169 34.059 -16.334 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -29.559 33.687 -15.697 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -31.006 33.637 -16.138 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -30.537 35.614 -11.368 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -30.257 34.707 -11.243 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -29.778 36.048 -11.757 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -28.057 32.944 -14.791 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -27.644 32.223 -15.267 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -27.375 33.614 -14.733 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -31.005 47.933 -9.719 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -30.352 47.586 -10.327 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -30.494 48.422 -9.073 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -35.662 32.560 -7.311 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -36.337 31.931 -7.056 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -35.098 32.076 -7.914 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -33.199 31.151 -8.027 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -33.123 31.246 -8.976 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -33.475 30.243 -7.898 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -31.846 31.177 -12.334 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.549 31.791 -12.544 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -32.291 30.339 -12.203 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -35.734 48.150 -14.391 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -34.868 48.516 -14.569 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -35.981 47.710 -15.204 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -29.807 46.464 0.439 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -30.589 46.278 -0.081 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -29.879 47.393 0.656 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -28.272 33.639 14.011 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -28.223 34.249 14.747 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -27.846 34.100 13.288 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -32.917 34.664 9.151 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -32.271 34.335 9.776 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -32.407 35.182 8.528 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -27.880 35.117 16.247 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -28.569 35.775 16.152 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -27.865 34.920 17.184 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -31.153 33.955 11.132 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -31.368 33.189 11.664 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -30.497 34.427 11.645 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -30.806 32.670 14.811 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -31.542 33.281 14.773 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -30.122 33.085 14.285 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -35.482 38.052 3.816 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -34.781 38.074 4.467 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -35.180 37.424 3.160 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -32.130 39.804 7.729 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -32.862 40.032 8.302 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -31.683 39.090 8.184 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -33.259 38.966 5.414 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -32.680 39.116 6.161 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -32.845 39.437 4.691 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -28.371 45.082 3.604 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -28.298 46.021 3.774 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -27.466 44.777 3.547 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -31.782 39.999 3.044 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -31.740 39.776 2.114 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.933 40.397 3.234 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -36.209 33.875 3.714 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -36.463 33.894 4.637 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -36.466 33.003 3.413 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -34.910 37.263 7.879 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -35.319 38.078 7.587 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -34.190 37.123 7.264 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -33.906 36.709 10.693 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -34.101 37.314 9.978 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -33.724 35.875 10.258 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -39.327 34.320 2.815 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -39.758 33.875 3.545 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -40.045 34.692 2.303 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -37.864 34.274 10.148 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -38.775 34.331 10.437 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -37.359 34.214 10.959 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -39.383 35.903 6.631 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -38.451 36.032 6.809 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -39.598 36.573 5.982 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -32.758 36.344 5.994 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -31.866 36.207 6.313 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -32.701 37.135 5.457 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -27.873 36.554 5.688 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -28.427 36.158 5.016 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -27.772 37.464 5.411 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -36.888 35.293 7.598 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -36.076 35.797 7.644 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -37.133 35.148 8.512 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -36.004 32.374 8.536 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -36.351 32.992 9.181 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -35.346 32.875 8.055 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -40.347 33.437 5.224 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -40.430 34.326 5.570 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -39.457 33.172 5.455 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -28.887 40.588 2.664 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -29.160 40.163 1.851 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -28.847 41.519 2.447 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -28.034 39.510 8.463 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -28.760 39.031 8.861 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -27.453 39.716 9.195 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -27.766 39.411 4.854 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -28.287 39.768 4.135 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -27.799 40.086 5.532 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -29.417 36.651 3.405 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -29.320 37.318 2.725 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -29.557 35.835 2.923 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -30.247 38.031 9.026 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -30.397 37.086 9.006 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -30.601 38.312 9.870 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.925 36.195 12.924 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -28.992 36.407 12.890 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -30.160 36.297 13.847 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -29.092 31.111 17.222 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -29.905 31.436 16.834 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.859 30.351 16.689 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -35.662 32.560 11.545 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -36.337 31.931 11.800 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -35.098 32.076 10.942 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -30.520 30.667 11.657 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -29.916 31.215 11.156 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -31.389 30.987 11.417 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -38.756 31.121 9.180 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -37.882 31.509 9.150 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -38.892 30.906 10.103 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -33.199 31.151 10.829 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -33.123 31.246 9.880 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -33.475 30.243 10.958 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -37.612 33.201 6.070 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -37.434 32.555 6.753 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -37.666 34.035 6.537 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -28.272 52.495 -42.557 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -28.223 53.105 -41.821 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -27.846 52.956 -43.280 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -33.794 55.288 -43.090 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -33.651 54.341 -43.070 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -33.900 55.495 -44.019 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -32.917 53.520 -47.417 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -32.271 53.191 -46.792 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -32.407 54.038 -48.040 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -27.880 53.973 -40.321 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -28.569 54.631 -40.416 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -27.865 53.776 -39.384 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -31.153 52.811 -45.436 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -31.368 52.045 -44.904 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -30.497 53.283 -44.923 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -30.806 51.526 -41.757 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -31.542 52.137 -41.795 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -30.122 51.941 -42.283 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -37.803 49.613 -44.291 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -37.920 48.664 -44.345 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -38.658 49.945 -44.018 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -28.167 57.828 -41.497 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -28.819 58.523 -41.408 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -27.702 58.038 -42.307 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -32.233 56.834 -39.771 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -32.153 57.597 -39.199 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -32.834 57.113 -40.462 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -40.534 50.516 -43.513 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -41.395 50.429 -43.921 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -40.556 51.372 -43.086 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -35.808 56.294 -37.201 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -36.371 55.590 -36.881 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -34.982 56.174 -36.734 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -37.864 53.130 -46.420 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -38.775 53.187 -46.131 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -37.359 53.070 -45.609 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -33.459 52.365 -43.156 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -34.136 52.496 -42.492 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -33.945 52.210 -43.966 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -37.918 54.306 -42.119 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -38.753 54.760 -42.009 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -37.394 54.582 -41.367 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -34.872 52.769 -40.902 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -34.174 52.843 -40.252 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -35.253 51.905 -40.747 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -36.352 55.135 -39.785 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -36.233 55.709 -39.028 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -35.697 54.447 -39.670 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -36.004 51.230 -48.032 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -36.351 51.848 -47.387 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -35.346 51.731 -48.513 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -39.307 52.464 -40.681 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -38.771 52.915 -41.333 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -40.159 52.356 -41.103 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -33.309 55.718 -35.413 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -33.117 54.787 -35.524 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -32.452 56.143 -35.423 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -31.993 58.507 -37.335 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -32.274 59.216 -37.913 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -31.050 58.434 -37.486 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -38.501 49.920 -40.249 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -38.599 50.867 -40.355 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -39.244 49.548 -40.725 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -37.237 54.242 -36.686 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -37.473 54.022 -35.784 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -38.020 54.035 -37.195 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -34.521 53.369 -37.610 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -35.469 53.401 -37.478 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -34.209 52.744 -36.956 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -38.279 49.214 -37.578 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -37.567 48.574 -37.592 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -38.380 49.481 -38.492 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -37.926 50.897 -35.524 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -38.057 50.421 -36.345 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -38.525 51.641 -35.580 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -29.391 58.857 -37.903 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -28.808 58.123 -37.712 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -28.827 59.629 -37.857 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -27.894 56.760 -37.219 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -28.757 56.381 -37.384 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -27.290 56.021 -37.293 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -29.925 55.051 -43.644 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -28.992 55.263 -43.678 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -30.160 55.153 -42.721 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -29.896 55.788 -40.868 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -30.739 56.056 -40.502 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -29.453 56.610 -41.079 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -35.662 51.416 -45.023 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -36.337 50.787 -44.768 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -35.098 50.932 -45.626 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -30.520 49.523 -44.911 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -29.916 50.071 -45.412 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -31.389 49.843 -45.151 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -28.793 50.662 -46.577 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -28.181 50.148 -47.104 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -28.410 51.540 -46.554 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -38.756 49.977 -47.388 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -37.882 50.365 -47.418 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -38.892 49.762 -46.465 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -41.405 49.915 -36.148 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -40.506 49.641 -36.333 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -41.791 49.172 -35.684 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -34.257 59.206 -28.387 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -34.168 60.150 -28.519 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -34.896 58.931 -29.045 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -35.324 58.461 -24.968 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -35.362 57.815 -24.263 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -35.647 57.995 -25.739 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -36.935 60.894 -24.562 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -36.631 60.208 -25.156 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -36.213 61.012 -23.944 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -40.639 53.389 -26.962 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -40.596 54.249 -27.380 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -41.097 52.837 -27.595 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -38.863 57.336 -26.984 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -38.247 56.810 -26.475 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -39.449 56.696 -27.388 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -41.829 52.307 -22.888 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -42.048 52.837 -23.654 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -42.497 52.534 -22.240 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -34.460 61.807 -29.344 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -34.756 61.485 -30.195 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -34.784 62.707 -29.302 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -42.235 54.199 -24.935 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -41.622 54.832 -24.562 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -41.723 53.727 -25.592 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -31.106 63.240 -24.318 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -32.048 63.298 -24.157 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -30.830 64.146 -24.455 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -37.803 49.613 -25.435 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -37.920 48.664 -25.489 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -38.658 49.945 -25.162 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -30.009 61.488 -20.707 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -29.869 60.897 -21.446 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -29.841 62.361 -21.063 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -35.536 58.450 -30.935 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -36.248 58.985 -31.286 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -34.845 58.506 -31.595 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -35.482 56.908 -33.896 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -34.781 56.930 -33.245 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -35.180 56.280 -34.552 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -32.130 58.660 -29.983 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -32.862 58.888 -29.410 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -31.683 57.946 -29.528 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -32.233 56.834 -20.915 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -32.153 57.597 -20.343 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -32.834 57.113 -21.606 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -40.485 59.290 -28.100 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -40.815 58.920 -28.919 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -39.897 58.620 -27.754 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -40.118 58.059 -24.467 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -39.553 58.180 -25.230 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -39.799 58.696 -23.828 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -33.259 57.822 -32.298 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -32.680 57.972 -31.551 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -32.845 58.293 -33.021 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -27.454 64.169 -19.130 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -27.503 63.214 -19.167 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -28.280 64.437 -18.728 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -40.534 50.516 -24.657 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -41.395 50.429 -25.065 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -40.556 51.372 -24.230 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -31.782 58.855 -34.668 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -31.740 58.632 -35.598 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -30.933 59.253 -34.478 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -40.443 55.482 -23.562 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -41.085 55.441 -22.853 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -40.406 56.408 -23.800 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -40.446 55.703 -28.650 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -41.339 55.362 -28.709 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -39.995 55.326 -29.406 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -35.808 56.294 -18.345 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -36.371 55.590 -18.025 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -34.982 56.174 -17.878 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -39.327 53.176 -34.897 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -39.758 52.731 -34.167 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -40.045 53.548 -35.409 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -34.642 57.203 -22.348 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -34.318 56.572 -22.991 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -35.082 56.668 -21.687 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -39.383 54.759 -31.081 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -38.451 54.888 -30.903 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -39.598 55.429 -31.730 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -40.709 55.954 -33.514 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -41.251 55.574 -34.205 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -39.875 56.148 -33.943 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -41.542 52.054 -29.259 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -41.859 51.152 -29.294 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -40.761 52.056 -29.811 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -37.374 60.519 -31.578 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -38.118 60.012 -31.901 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -37.508 60.568 -30.632 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -30.224 59.652 -22.792 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -29.582 60.109 -23.335 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -31.054 59.765 -23.254 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -27.909 61.210 -19.187 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -28.761 61.448 -19.554 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -27.319 61.193 -19.940 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -32.417 59.004 -24.537 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -33.345 58.772 -24.564 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -31.966 58.227 -24.867 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -38.447 60.995 -28.828 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -38.688 61.920 -28.786 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -39.187 60.536 -28.432 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -31.319 60.845 -31.512 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -31.596 60.117 -30.956 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -30.392 60.964 -31.306 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -36.352 55.135 -20.929 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -36.233 55.709 -20.172 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -35.697 54.447 -20.814 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -40.347 52.293 -32.488 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -40.430 53.182 -32.142 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -39.457 52.028 -32.257 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -31.546 56.793 -25.998 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -32.343 56.378 -26.327 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -31.101 56.102 -25.507 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -32.448 60.416 -20.378 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -31.703 61.004 -20.498 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -33.205 60.998 -20.315 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -39.348 58.846 -32.756 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -39.807 58.362 -32.070 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -39.093 58.178 -33.392 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -40.059 56.739 -20.400 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -40.677 57.414 -20.119 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -39.715 57.060 -21.233 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -38.277 57.089 -34.493 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -38.457 56.935 -35.421 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -37.326 57.197 -34.449 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -28.887 59.444 -35.048 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -29.160 59.019 -35.861 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -28.847 60.375 -35.265 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -39.719 54.094 -19.317 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -39.569 53.365 -19.920 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -39.717 54.871 -19.876 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -39.307 52.464 -21.825 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -38.771 52.915 -22.477 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -40.159 52.356 -22.247 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -37.725 57.903 -21.585 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -36.974 57.747 -22.158 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -38.064 58.755 -21.861 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -33.309 55.718 -16.557 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -33.117 54.787 -16.668 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -32.452 56.143 -16.567 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -31.993 58.507 -18.479 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -32.274 59.216 -19.057 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -31.050 58.434 -18.630 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -38.501 49.920 -21.393 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -38.599 50.867 -21.499 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -39.244 49.548 -21.869 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -37.237 54.242 -17.830 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -37.473 54.022 -16.928 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -38.020 54.035 -18.339 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -38.279 49.214 -18.722 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -37.567 48.574 -18.736 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -38.380 49.481 -19.636 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -37.926 50.897 -16.668 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -38.057 50.421 -17.489 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -38.525 51.641 -16.724 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -29.729 62.056 -16.587 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -30.595 61.951 -16.193 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -29.353 62.815 -16.140 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -28.428 60.313 -31.073 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -27.578 60.734 -30.945 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -28.423 59.573 -30.465 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -28.034 58.366 -29.249 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -28.760 57.887 -28.851 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -27.453 58.572 -28.517 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -28.275 61.151 -24.301 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -27.441 60.773 -24.582 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -28.163 62.094 -24.420 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -29.788 64.029 -21.994 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -30.436 64.354 -21.369 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -30.306 63.589 -22.669 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -27.766 58.267 -32.858 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -28.287 58.624 -33.577 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -27.799 58.942 -32.180 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -38.756 49.977 -28.532 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -37.882 50.365 -28.562 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -38.892 49.762 -27.609 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -31.153 52.811 -7.724 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -31.368 52.045 -7.192 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -30.497 53.283 -7.211 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -35.536 58.450 -12.079 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -36.248 58.985 -12.430 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -34.845 58.506 -12.739 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -35.482 56.908 -15.040 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -34.781 56.930 -14.389 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -35.180 56.280 -15.696 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -32.130 58.660 -11.127 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -32.862 58.888 -10.554 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -31.683 57.946 -10.672 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -33.259 57.822 -13.442 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -32.680 57.972 -12.695 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -32.845 58.293 -14.165 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -31.782 58.855 -15.812 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -31.740 58.632 -16.742 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -30.933 59.253 -15.622 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -36.209 52.731 -15.142 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -36.463 52.750 -14.219 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -36.466 51.859 -15.443 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -34.910 56.119 -10.977 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -35.319 56.934 -11.269 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -34.190 55.979 -11.592 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -33.906 55.565 -8.163 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -34.101 56.170 -8.878 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -33.724 54.731 -8.598 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -37.864 53.130 -8.708 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -38.775 53.187 -8.419 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -37.359 53.070 -7.897 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -33.459 52.365 -5.444 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -34.136 52.496 -4.780 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -33.945 52.210 -6.254 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -27.873 55.410 -13.168 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -28.427 55.014 -13.840 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -27.772 56.320 -13.445 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -36.888 54.149 -11.258 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -36.076 54.653 -11.212 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -37.133 54.004 -10.344 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -36.004 51.230 -10.320 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -36.351 51.848 -9.675 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -35.346 51.731 -10.801 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -31.546 56.793 -7.142 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -32.343 56.378 -7.471 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -31.101 56.102 -6.651 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -28.887 59.444 -16.192 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -29.160 59.019 -17.005 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -28.847 60.375 -16.409 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -28.034 58.366 -10.393 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -28.760 57.887 -9.995 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -27.453 58.572 -9.661 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -27.766 58.267 -14.002 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -28.287 58.624 -14.721 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -27.799 58.942 -13.324 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -30.247 56.887 -9.830 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -30.397 55.942 -9.850 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -30.601 57.168 -8.986 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -29.925 55.051 -5.932 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -28.992 55.263 -5.966 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -30.160 55.153 -5.009 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -35.662 51.416 -7.311 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -36.337 50.787 -7.056 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -35.098 50.932 -7.914 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -30.520 49.523 -7.199 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -29.916 50.071 -7.700 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -31.389 49.843 -7.439 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -28.793 50.662 -8.865 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -28.181 50.148 -9.392 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -28.410 51.540 -8.842 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -33.199 50.007 -8.027 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -33.123 50.102 -8.976 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -33.475 49.099 -7.898 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -37.612 52.057 -12.786 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -37.434 51.411 -12.103 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -37.666 52.891 -12.319 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -21.292 9.071 -16.528 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -20.524 8.612 -16.187 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -21.313 8.845 -17.458 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -23.176 5.958 -5.984 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -23.546 5.156 -6.353 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -22.235 5.789 -5.937 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -15.651 9.937 -7.598 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -15.031 9.260 -7.871 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -15.859 9.719 -6.690 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -13.998 8.453 -8.837 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -13.573 7.746 -9.322 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -13.681 9.254 -9.254 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -20.262 6.150 -6.563 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -20.357 5.572 -7.320 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -19.533 5.779 -6.067 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -14.953 6.994 -4.877 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -15.194 7.656 -4.229 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -15.151 6.160 -4.452 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -20.382 5.890 -0.894 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.694 6.672 -0.438 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -21.032 5.737 -1.580 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -16.677 7.991 -10.007 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -16.203 8.286 -9.229 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -17.240 8.729 -10.240 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -22.143 7.962 -0.130 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -22.135 7.826 -1.078 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -23.059 7.844 0.122 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -8.598 7.601 -0.274 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -8.647 6.646 -0.311 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -9.424 7.869 0.128 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -17.619 7.175 -1.398 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -17.532 8.001 -0.923 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -18.483 6.845 -1.149 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -17.205 10.947 -11.592 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -17.280 10.826 -12.538 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -17.172 11.897 -11.473 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -14.434 10.027 -11.840 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -15.369 10.127 -11.661 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -14.154 9.318 -11.262 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -14.748 6.597 -1.535 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -15.649 6.780 -1.803 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -14.714 6.856 -0.614 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -21.018 6.764 -9.548 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -20.491 7.537 -9.749 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -21.898 6.989 -9.850 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -19.591 4.427 -9.972 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -19.832 5.352 -9.930 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -20.331 3.968 -9.576 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -19.076 8.576 -3.657 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -18.713 9.431 -3.890 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -18.544 8.284 -2.916 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -12.873 9.227 -1.487 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -13.475 8.672 -1.982 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -12.592 9.894 -2.113 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -25.100 8.265 -3.645 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -24.883 7.333 -3.676 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -24.853 8.539 -2.761 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -20.301 6.286 -13.979 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -20.154 5.766 -13.189 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -20.304 7.193 -13.673 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -17.563 7.984 -13.230 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -18.380 8.481 -13.177 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -17.034 8.459 -13.870 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -20.225 9.027 -13.248 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -20.064 9.827 -13.749 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -20.422 9.334 -12.363 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -11.603 9.481 -5.520 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -11.759 10.159 -6.177 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -10.671 9.553 -5.317 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -25.178 7.539 -10.622 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -26.010 8.012 -10.595 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -24.632 8.049 -11.221 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -25.889 10.152 0.708 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -25.349 9.935 1.467 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -26.370 9.346 0.518 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -21.292 9.071 2.328 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -20.524 8.612 2.669 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -21.313 8.845 1.398 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -14.715 7.451 1.057 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -15.066 6.595 1.300 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -13.989 7.594 1.664 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -19.523 11.212 -14.636 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -18.590 11.370 -14.492 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -19.787 11.887 -15.261 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -27.306 11.241 -10.076 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -27.953 10.779 -10.609 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -26.951 10.569 -9.493 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -26.436 9.322 -8.271 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -26.770 8.441 -8.099 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -26.214 9.667 -7.407 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -8.887 10.131 -5.291 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -8.909 10.316 -4.352 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -8.197 10.700 -5.632 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -9.324 9.698 -2.369 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -9.811 8.963 -2.740 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -8.775 9.305 -1.691 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -10.932 7.461 -3.138 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -11.580 7.786 -2.513 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -11.450 7.021 -3.813 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -21.810 8.125 -2.917 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -22.235 8.934 -3.200 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -20.905 8.210 -3.219 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -24.408 11.381 -2.870 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -25.128 11.821 -3.321 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -24.774 11.130 -2.021 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -21.941 10.981 -3.840 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -22.806 11.053 -3.436 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -21.996 11.528 -4.624 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -12.298 11.317 -3.424 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -12.480 12.233 -3.635 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -12.122 10.907 -4.271 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -24.993 10.004 -5.959 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -25.012 9.579 -5.102 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -24.188 9.686 -6.368 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -25.742 9.228 -12.788 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -26.427 9.190 -13.456 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -25.739 10.141 -12.500 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -16.878 10.438 -14.391 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -16.012 10.804 -14.569 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -17.125 9.998 -15.204 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -23.924 10.148 -15.763 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -24.192 10.435 -14.890 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -23.153 9.602 -15.611 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -10.951 8.752 0.439 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -11.733 8.566 -0.081 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -11.023 9.681 0.656 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -15.401 2.638 9.325 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -15.312 3.582 9.193 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -16.040 2.363 8.667 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -16.468 1.893 12.744 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -16.506 1.247 13.449 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -16.791 1.427 11.973 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -15.651 9.937 11.258 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -15.031 9.260 10.985 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -15.859 9.719 12.166 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -18.079 4.326 13.150 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -17.775 3.640 12.556 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -17.357 4.444 13.768 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -15.604 5.239 8.368 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -15.900 4.917 7.517 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -15.928 6.139 8.410 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -12.839 6.354 8.528 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -13.096 5.664 7.916 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -12.768 5.911 9.373 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -11.153 4.920 17.005 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -11.013 4.329 16.266 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -10.985 5.793 16.649 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -9.311 1.260 15.071 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -9.963 1.955 15.160 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -8.846 1.470 14.261 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -13.274 2.092 7.729 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -14.006 2.320 8.302 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -12.827 1.378 8.184 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -16.677 7.991 8.849 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -16.203 8.286 9.627 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -17.240 8.729 8.616 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -17.619 7.175 17.458 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -17.532 8.001 17.933 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -18.483 6.845 17.707 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -17.205 10.947 7.264 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -17.280 10.826 6.318 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -17.172 11.897 7.383 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -23.551 9.736 9.045 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -23.399 9.388 9.924 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -24.402 9.380 8.790 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -14.103 10.101 4.267 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -13.728 9.357 3.796 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -14.099 9.831 5.185 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -14.434 10.027 7.016 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -15.369 10.127 7.195 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -14.154 9.318 7.594 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -11.316 11.469 19.689 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -11.116 11.893 18.854 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -10.660 11.812 20.296 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -11.368 3.084 14.920 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -10.726 3.541 14.377 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -12.198 3.197 14.458 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -16.998 4.135 17.371 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -17.344 3.754 18.177 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -17.198 5.069 17.442 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -14.748 6.597 17.321 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -15.649 6.780 17.053 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -14.714 6.856 18.242 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -9.053 4.642 18.525 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -9.905 4.880 18.158 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -8.463 4.625 17.772 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -10.721 7.628 6.153 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -11.094 6.802 6.463 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -10.444 7.445 5.256 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -13.561 2.436 13.175 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -14.489 2.204 13.148 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -13.110 1.659 12.845 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -20.907 9.449 8.429 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -21.857 9.554 8.481 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -20.556 10.269 8.774 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -15.532 4.675 14.900 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -15.958 4.448 15.726 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -14.951 3.937 14.717 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -8.825 10.084 4.175 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -8.082 10.670 4.035 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -9.520 10.652 4.508 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -12.463 4.277 6.200 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -12.740 3.549 6.756 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -11.536 4.396 6.406 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -19.238 6.716 2.421 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -18.999 5.968 1.873 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -19.507 6.328 3.253 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -17.563 7.984 5.626 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -18.380 8.481 5.679 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -17.034 8.459 4.986 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -20.225 9.027 5.608 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -20.064 9.827 5.107 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -20.422 9.334 6.493 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -12.690 0.225 11.714 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -13.487 -0.190 11.385 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -12.245 -0.466 12.205 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -17.200 8.579 2.559 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -17.844 7.948 2.881 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -16.438 8.048 2.327 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -14.715 7.451 19.913 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -15.066 6.595 20.156 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -13.989 7.594 20.520 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -12.596 8.396 2.793 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -12.313 7.602 3.246 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -11.856 8.629 2.232 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -13.592 3.848 17.334 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -12.847 4.436 17.214 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -14.349 4.430 17.397 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -19.523 11.212 4.220 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -18.590 11.370 4.364 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -19.787 11.887 3.595 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -27.306 11.241 8.780 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -27.953 10.779 8.247 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -26.951 10.569 9.363 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -10.873 5.488 21.125 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -11.739 5.383 21.519 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -10.497 6.247 21.572 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -9.572 3.745 6.639 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -8.722 4.166 6.767 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -9.567 3.005 7.247 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -9.178 1.798 8.463 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -9.904 1.319 8.861 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -8.597 2.004 9.195 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -11.391 0.319 9.026 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -11.541 -0.626 9.006 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -11.745 0.600 9.870 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -10.535 2.289 18.665 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -9.952 1.555 18.856 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -9.971 3.061 18.711 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -9.038 0.192 19.349 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -9.901 -0.187 19.184 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -8.434 -0.547 19.275 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -15.154 10.809 18.142 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -14.477 10.177 17.902 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -14.832 11.211 18.950 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -17.230 10.869 14.192 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -17.687 11.398 13.538 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -17.067 11.472 14.917 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -14.903 9.747 15.137 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -15.807 9.912 14.871 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -14.474 10.600 15.071 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -22.852 8.714 11.552 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -23.071 7.798 11.721 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -22.028 8.854 12.018 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -20.315 9.184 12.400 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -20.102 8.296 12.113 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -20.250 9.150 13.355 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -25.742 9.228 6.068 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -26.427 9.190 5.400 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -25.739 10.141 6.356 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -16.878 10.438 4.465 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -16.012 10.804 4.287 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -17.125 9.998 3.652 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -10.169 10.001 7.145 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -10.363 9.253 6.580 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -10.208 10.759 6.561 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -23.924 10.148 3.093 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -24.192 10.435 3.966 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -23.153 9.602 3.245 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -10.951 8.752 19.295 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -11.733 8.566 18.775 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -11.023 9.681 19.512 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -9.515 7.370 22.460 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -9.442 8.309 22.630 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -8.610 7.065 22.403 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -9.017 -1.158 24.544 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -9.571 -1.554 23.872 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -8.916 -0.248 24.267 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -8.825 10.084 23.031 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -8.082 10.670 22.891 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -9.520 10.652 23.364 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -12.596 8.396 21.649 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -12.313 7.602 22.102 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -11.856 8.629 21.088 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -10.031 2.876 21.520 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -10.304 2.451 20.707 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -9.991 3.807 21.303 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -9.572 3.745 25.495 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -8.722 4.166 25.623 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -9.567 3.005 26.103 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -9.178 1.798 27.319 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -9.904 1.319 27.717 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -8.597 2.004 28.051 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -8.910 1.699 23.710 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -9.431 2.056 22.991 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -8.943 2.374 24.388 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -20.382 24.746 -19.750 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -20.694 25.528 -19.294 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -21.032 24.593 -20.436 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -22.143 26.818 -18.986 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -22.135 26.682 -19.934 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -23.059 26.700 -18.734 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -8.598 26.457 -19.130 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -8.647 25.502 -19.167 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -9.424 26.725 -18.728 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -11.316 30.325 -18.023 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -11.116 30.749 -18.858 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -10.660 30.668 -17.416 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -23.718 22.799 -18.415 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -22.985 23.053 -17.854 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -24.498 23.003 -17.900 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -9.053 23.498 -19.187 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -9.905 23.736 -19.554 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -8.463 23.481 -19.940 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -12.873 28.083 -20.343 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -13.475 27.528 -20.838 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -12.592 28.750 -20.969 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -21.292 27.927 -16.528 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.524 27.468 -16.187 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -21.313 27.701 -17.458 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -14.715 26.307 -17.799 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -15.066 25.451 -17.556 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -13.989 26.450 -17.192 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -19.327 22.788 -17.761 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -19.655 23.059 -18.619 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -19.175 21.847 -17.849 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -16.183 21.498 -17.122 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -15.230 21.582 -17.150 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.343 20.787 -16.503 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -19.070 13.185 -16.668 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -19.201 12.709 -17.489 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -19.669 13.929 -16.724 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -9.324 28.554 -21.225 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -9.811 27.819 -21.596 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -8.775 28.161 -20.547 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -10.873 24.344 -16.587 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -11.739 24.239 -16.193 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -10.497 25.103 -16.140 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -10.535 21.145 -19.047 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -9.952 20.411 -18.856 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -9.971 21.917 -19.001 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -9.038 19.048 -18.363 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -9.901 18.669 -18.528 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -8.434 18.309 -18.437 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -24.764 26.006 -18.032 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -25.585 26.181 -18.492 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -25.016 25.933 -17.111 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -17.499 28.380 -18.814 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -17.314 28.046 -17.936 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -16.652 28.689 -19.136 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -15.154 29.665 -19.570 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -14.477 29.033 -19.810 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -14.832 30.067 -18.762 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -22.549 12.203 -17.292 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -21.650 11.929 -17.477 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -22.935 11.460 -16.828 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -10.951 27.608 -18.417 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -11.733 27.422 -18.937 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -11.023 28.537 -18.200 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -26.566 18.474 -10.591 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -27.014 19.320 -10.609 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -27.127 17.894 -11.106 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.856 20.636 -8.465 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -25.642 19.866 -7.938 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -25.118 20.725 -9.068 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -14.061 15.808 -9.705 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -13.415 15.479 -9.080 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -13.551 16.326 -10.328 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -12.297 15.099 -7.724 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -12.512 14.333 -7.192 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -11.641 15.571 -7.211 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -25.875 23.906 -12.175 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -26.147 24.135 -13.064 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -25.830 24.744 -11.715 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -16.680 20.738 -12.079 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -17.392 21.273 -12.430 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -15.989 20.794 -12.739 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -16.626 19.196 -15.040 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -15.925 19.218 -14.389 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -16.324 18.568 -15.696 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -14.403 20.110 -13.442 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -13.824 20.260 -12.695 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -13.989 20.581 -14.165 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -22.639 20.648 -11.655 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -22.931 21.416 -12.146 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -23.313 19.988 -11.818 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -9.515 26.226 -15.252 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -9.442 27.165 -15.082 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -8.610 25.921 -15.309 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -12.926 21.143 -15.812 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -12.884 20.920 -16.742 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -12.077 21.541 -15.622 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -17.353 15.019 -15.142 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -17.607 15.038 -14.219 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -17.610 14.147 -15.443 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -21.590 17.991 -9.794 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -22.483 17.650 -9.853 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -21.139 17.614 -10.550 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -20.471 15.464 -16.041 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -20.902 15.019 -15.311 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -21.189 15.836 -16.553 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -27.229 15.206 -8.989 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -26.598 15.177 -8.269 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -26.779 14.781 -9.719 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -25.954 15.952 -13.565 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -25.480 16.543 -14.150 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -26.672 16.483 -13.218 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -24.180 17.047 -9.881 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -25.069 17.147 -10.221 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -23.884 16.205 -10.227 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -20.527 17.047 -12.225 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -19.595 17.176 -12.047 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -20.742 17.717 -12.874 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -21.853 18.242 -14.658 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -22.395 17.862 -15.349 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -21.019 18.436 -15.087 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -13.902 17.488 -12.862 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -13.010 17.351 -12.543 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -13.845 18.279 -13.399 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -26.385 20.563 -1.638 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -26.162 20.145 -0.806 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -26.987 19.950 -2.060 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -9.017 17.698 -13.168 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -9.571 17.302 -13.840 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -8.916 18.608 -13.445 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -25.263 20.482 -14.961 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -24.647 21.109 -14.582 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -26.125 20.798 -14.690 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -19.238 25.572 -16.435 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -18.999 24.824 -16.983 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -19.507 25.184 -15.603 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -23.848 22.395 -13.469 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -24.534 22.747 -12.902 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -23.325 23.158 -13.715 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -15.232 14.709 -12.093 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -15.012 15.181 -12.896 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -14.674 15.104 -11.422 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -18.032 16.437 -11.258 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -17.220 16.941 -11.212 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -18.277 16.292 -10.344 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -23.232 25.009 -14.572 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -22.640 25.708 -14.296 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -22.773 24.576 -15.291 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -24.916 17.673 -15.456 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.961 18.612 -15.277 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -25.804 17.437 -15.726 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -17.200 27.435 -16.297 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -17.844 26.804 -15.975 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -16.438 26.904 -16.529 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -21.641 23.162 -16.206 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -21.577 22.368 -15.675 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -20.988 23.043 -16.895 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -16.289 24.209 -16.470 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -16.557 24.389 -15.569 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -16.495 23.283 -16.601 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -20.492 21.134 -13.900 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -20.951 20.650 -13.214 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -20.237 20.466 -14.536 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -19.421 19.377 -15.637 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -19.601 19.223 -16.565 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -18.470 19.485 -15.593 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -10.031 21.732 -16.192 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -10.304 21.307 -17.005 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -9.991 22.663 -16.409 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -19.523 30.068 -14.636 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -18.590 30.226 -14.492 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -19.787 30.743 -15.261 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -25.955 24.704 -15.153 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -25.041 24.783 -14.880 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -25.948 24.017 -15.820 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -10.561 17.795 -15.451 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -10.464 18.462 -16.131 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -10.701 16.979 -15.933 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -11.681 16.758 -11.368 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -11.401 15.851 -11.243 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -10.922 17.192 -11.757 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -8.757 12.056 2.198 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -8.407 11.402 1.592 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -8.610 12.893 1.758 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -11.067 14.021 -11.319 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -10.885 13.572 -10.494 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -11.667 13.436 -11.783 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -25.537 14.836 -6.788 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -25.092 14.044 -6.486 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -25.071 15.552 -6.357 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -27.233 17.835 -5.719 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.741 17.614 -6.509 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -26.871 18.676 -5.438 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -9.201 14.088 -14.791 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -8.788 13.367 -15.267 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -8.519 14.758 -14.733 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -26.920 14.093 -11.664 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -27.845 14.302 -11.794 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -26.466 14.577 -12.354 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -26.956 12.831 -3.320 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -27.621 12.585 -2.677 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -27.399 13.453 -3.897 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -11.664 11.811 -7.199 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -11.060 12.359 -7.700 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -12.533 12.131 -7.439 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -9.937 12.950 -8.865 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -9.325 12.436 -9.392 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -9.554 13.828 -8.842 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -25.643 12.136 -13.686 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -25.204 12.747 -14.277 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -26.277 12.674 -13.212 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -14.343 12.295 -8.027 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -14.267 12.390 -8.976 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -14.619 11.387 -7.898 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -23.782 14.052 -15.243 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -23.291 13.422 -15.771 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -23.159 14.348 -14.580 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -18.756 14.345 -12.786 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -18.578 13.699 -12.103 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -18.810 15.179 -12.319 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -16.878 29.294 -14.391 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -16.012 29.660 -14.569 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -17.125 28.854 -15.204 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -22.549 12.203 1.564 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -21.650 11.929 1.379 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -22.935 11.460 2.028 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -23.924 29.004 -15.763 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -24.192 29.291 -14.890 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -23.153 28.458 -15.611 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -14.127 11.535 1.746 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -14.051 11.109 2.600 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -13.234 11.549 1.404 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -24.100 20.364 14.337 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -24.058 19.738 15.061 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -23.397 20.987 14.519 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -12.762 23.688 11.046 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -13.203 22.968 11.496 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -12.775 24.409 11.676 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -25.856 20.636 10.391 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -25.642 19.866 10.918 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -25.118 20.725 9.788 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -14.061 15.808 9.151 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -13.415 15.479 9.776 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -13.551 16.326 8.528 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -25.163 18.074 11.512 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -24.509 17.524 11.944 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -25.139 17.800 10.596 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -22.973 14.595 14.824 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -23.192 15.125 14.058 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -23.641 14.822 15.472 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -23.379 16.487 12.777 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -22.766 17.120 13.150 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -22.867 16.015 12.120 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -18.947 11.901 12.277 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -19.064 10.952 12.223 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -19.802 12.233 12.550 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -13.998 27.309 10.019 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -13.573 26.602 9.534 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -13.681 28.110 9.602 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -21.262 20.347 13.245 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -20.697 20.468 12.482 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -20.943 20.984 13.884 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -23.462 20.944 17.191 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -23.392 21.595 17.889 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -24.353 21.047 16.856 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -16.677 26.847 8.849 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -16.203 27.142 9.627 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -17.240 27.585 8.616 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -10.705 11.860 5.227 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -11.604 11.999 5.522 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -10.453 12.691 4.825 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -8.598 26.457 18.582 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -8.647 25.502 18.545 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -9.424 26.725 18.984 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -24.297 24.334 17.059 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -24.080 23.973 17.919 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -25.152 23.960 16.849 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -21.678 12.804 13.055 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -22.539 12.717 12.647 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -21.700 13.660 13.482 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -17.015 12.526 16.429 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -16.595 12.111 17.182 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -17.948 12.348 16.546 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -21.587 17.770 14.150 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -22.229 17.729 14.859 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -21.550 18.696 13.912 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -23.837 18.090 16.017 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -23.875 18.490 16.885 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -24.328 17.273 16.107 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -27.229 15.206 9.867 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -26.598 15.177 10.587 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -26.779 14.781 9.137 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -25.954 15.952 5.291 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -25.480 16.543 4.706 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -26.672 16.483 5.638 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -11.316 30.325 19.689 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -11.116 30.749 18.854 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -10.660 30.668 20.296 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -23.718 22.799 19.297 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -22.985 23.053 19.858 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -24.498 23.003 19.812 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -17.688 18.206 12.035 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -17.124 17.659 11.488 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -17.836 17.684 12.824 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -19.062 16.594 14.449 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -19.897 17.048 14.559 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -18.538 16.870 15.201 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -26.385 20.563 17.218 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -26.162 20.145 18.050 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -26.987 19.950 16.796 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -9.017 17.698 5.688 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -9.571 17.302 5.016 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -8.916 18.608 5.411 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -9.053 23.498 18.525 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -9.905 23.736 18.158 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -8.463 23.481 17.772 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -12.873 28.083 17.369 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -13.475 27.528 16.874 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -12.592 28.750 16.743 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -16.016 15.057 15.666 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -15.318 15.131 16.316 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -16.397 14.193 15.821 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -11.603 28.337 13.336 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -11.759 29.015 12.679 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -10.671 28.409 13.539 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -24.108 12.455 12.073 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -24.337 12.514 11.146 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -24.551 11.663 12.380 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -25.889 29.008 19.564 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -25.349 28.791 20.323 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -26.370 28.202 19.374 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -21.292 27.927 21.184 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -20.524 27.468 21.525 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -21.313 27.701 20.254 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -25.982 22.818 20.518 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -25.838 21.916 20.232 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -26.755 23.104 20.030 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -25.150 20.018 19.938 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -24.742 19.161 19.817 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -25.410 20.033 20.859 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -20.863 16.382 18.395 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -20.713 15.653 17.792 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -20.861 17.159 17.836 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -20.451 14.752 15.887 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -19.915 15.203 15.235 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -21.303 14.644 15.465 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -22.385 17.580 20.306 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -23.152 17.048 20.096 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -21.706 17.270 19.707 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -14.031 14.291 20.963 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -14.128 13.339 20.957 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -14.353 14.560 21.824 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -19.070 13.185 21.044 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -19.201 12.709 20.223 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -19.669 13.929 20.988 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -8.887 28.987 13.565 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -8.909 29.172 14.504 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -8.197 29.556 13.224 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -9.324 28.554 16.487 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -9.811 27.819 16.116 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -8.775 28.161 17.165 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -10.873 24.344 21.125 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -11.739 24.239 21.519 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -10.497 25.103 21.572 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -9.178 20.654 8.463 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -9.904 20.175 8.861 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -8.597 20.860 9.195 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -9.419 23.439 13.411 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -8.585 23.061 13.130 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -9.307 24.382 13.292 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -9.038 19.048 19.349 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -9.901 18.669 19.184 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -8.434 18.309 19.275 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -11.681 16.758 7.488 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -11.401 15.851 7.613 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -10.922 17.192 7.099 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -8.757 12.056 21.054 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -8.407 11.402 20.448 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -8.610 12.893 20.614 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -11.067 14.021 7.537 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -10.885 13.572 8.362 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -11.667 13.436 7.073 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -25.537 14.836 12.068 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -25.092 14.044 12.370 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -25.071 15.552 12.499 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -27.233 17.835 13.137 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -26.741 17.614 12.347 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -26.871 18.676 13.418 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -26.920 14.093 7.192 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -27.845 14.302 7.062 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -26.466 14.577 6.502 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -24.764 26.006 19.680 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -25.585 26.181 19.220 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -25.016 25.933 20.601 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -12.298 30.173 15.432 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -12.480 31.089 15.221 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -12.122 29.763 14.585 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.806 13.704 11.545 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -17.481 13.075 11.800 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -16.242 13.220 10.942 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -24.480 12.338 9.367 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -25.257 12.104 8.859 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -23.949 11.541 9.375 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -25.643 12.136 5.170 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -25.204 12.747 4.579 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -26.277 12.674 5.644 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -12.990 12.321 6.522 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -13.693 12.935 6.312 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -13.435 11.483 6.653 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -23.782 14.052 3.613 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -23.291 13.422 3.085 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -23.159 14.348 4.276 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -14.127 11.535 20.602 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -14.051 11.109 21.456 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -13.234 11.549 20.260 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -10.951 27.608 19.295 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -11.733 27.422 18.775 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -11.023 28.537 19.512 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -16.680 20.738 25.633 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -17.392 21.273 25.282 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -15.989 20.794 24.973 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -13.274 20.948 26.585 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -14.006 21.176 27.158 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -12.827 20.234 27.040 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -14.403 20.110 24.270 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -13.824 20.260 25.017 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -13.989 20.581 23.547 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -10.705 11.860 24.083 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -11.604 11.999 24.378 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -10.453 12.691 23.681 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -9.515 26.226 22.460 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -9.442 27.165 22.630 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -8.610 25.921 22.403 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -14.103 28.957 23.123 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -13.728 28.213 22.652 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -14.099 28.687 24.041 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -17.353 15.019 22.570 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -17.607 15.038 23.493 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -17.610 14.147 22.269 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -16.054 18.407 26.735 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -16.463 19.222 26.443 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -15.334 18.267 26.120 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -20.471 15.464 21.671 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -20.902 15.019 22.401 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -21.189 15.836 21.159 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -20.527 17.047 25.487 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -19.595 17.176 25.665 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -20.742 17.717 24.838 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -21.853 18.242 23.054 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -22.395 17.862 22.363 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -21.019 18.436 22.625 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -18.518 22.807 24.990 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -19.262 22.300 24.667 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -18.652 22.856 25.936 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -14.620 15.621 23.189 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -15.558 15.733 23.038 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -14.323 16.478 23.495 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -13.902 17.488 24.850 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -13.010 17.351 25.169 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -13.845 18.279 24.313 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -16.392 24.266 24.015 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -16.687 25.092 24.397 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -17.095 23.646 24.211 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -9.017 17.698 24.544 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -9.571 17.302 23.872 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -8.916 18.608 24.267 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -13.329 24.460 22.830 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -12.976 24.080 23.634 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -14.278 24.367 22.916 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -12.463 23.133 25.056 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -12.740 22.405 25.612 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -11.536 23.252 25.262 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -20.301 25.142 23.733 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -20.154 24.622 24.523 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -20.304 26.049 24.039 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -15.232 14.709 25.619 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -15.012 15.181 24.816 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -14.674 15.104 26.290 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -17.563 26.840 24.482 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -18.380 27.337 24.535 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -17.034 27.315 23.842 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -18.032 16.437 26.454 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -17.220 16.941 26.500 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -18.277 16.292 27.368 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -20.225 27.883 24.464 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -20.064 28.683 23.963 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -20.422 28.190 25.349 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -23.232 25.009 23.140 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -22.640 25.708 23.416 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -22.773 24.576 22.421 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -12.596 27.252 21.649 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -12.313 26.458 22.102 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -11.856 27.485 21.088 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -21.641 23.162 21.506 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -21.577 22.368 22.037 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -20.988 23.043 20.817 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -20.492 21.134 23.812 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -20.951 20.650 24.498 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -20.237 20.466 23.176 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -10.031 21.732 21.520 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -10.304 21.307 20.707 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -9.991 22.663 21.303 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -19.523 30.068 23.076 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -18.590 30.226 23.220 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -19.787 30.743 22.451 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -8.910 20.555 23.710 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -9.431 20.912 22.991 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -8.943 21.230 24.388 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -10.561 17.795 22.261 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -10.464 18.462 21.581 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -10.701 16.979 21.779 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -11.313 15.203 21.378 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -10.703 14.831 22.015 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -12.150 14.781 21.574 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -9.201 14.088 22.921 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -8.788 13.367 22.445 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -8.519 14.758 22.979 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -18.756 14.345 24.926 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -18.578 13.699 25.609 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -18.810 15.179 25.393 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -16.878 29.294 23.321 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -16.012 29.660 23.143 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -17.125 28.854 22.508 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -23.924 29.004 21.949 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -24.192 29.291 22.822 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -23.153 28.458 22.101 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -24.100 39.220 -42.231 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -24.058 38.594 -41.507 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -23.397 39.843 -42.049 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -23.176 43.670 -43.696 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -23.546 42.868 -44.065 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -22.235 43.501 -43.649 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -25.856 39.492 -46.177 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -25.642 38.722 -45.650 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -25.118 39.581 -46.780 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -21.996 43.091 -40.669 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -22.002 43.970 -41.047 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -22.850 43.008 -40.244 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -25.875 42.762 -49.887 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -26.147 42.991 -50.776 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -25.830 43.600 -49.427 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -23.462 39.800 -39.377 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -23.392 40.451 -38.679 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -24.353 39.903 -39.712 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -23.551 47.448 -47.523 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -23.399 47.100 -46.644 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -24.402 47.092 -47.778 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -24.297 43.190 -39.509 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -24.080 42.829 -38.649 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -25.152 42.816 -39.719 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -23.718 41.655 -37.271 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -22.985 41.909 -36.710 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -24.498 41.859 -36.756 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -23.393 40.958 -44.665 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -22.648 40.956 -45.266 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -23.315 40.134 -44.183 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -26.385 39.419 -39.350 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -26.162 39.001 -38.518 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -26.987 38.806 -39.772 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -25.100 45.977 -41.357 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -24.883 45.045 -41.388 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -24.853 46.251 -40.473 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -25.178 45.251 -48.334 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -26.010 45.724 -48.307 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -24.632 45.761 -48.933 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -25.889 47.864 -37.004 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -25.349 47.647 -36.245 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -26.370 47.058 -37.194 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -25.982 41.674 -36.050 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -25.838 40.772 -36.336 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -26.755 41.960 -36.538 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -25.150 38.874 -36.630 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -24.742 38.017 -36.751 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -25.410 38.889 -35.709 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -27.306 48.953 -47.788 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -27.953 48.491 -48.321 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -26.951 48.281 -47.205 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -26.436 47.034 -45.983 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -26.770 46.153 -45.811 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -26.214 47.379 -45.119 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -26.356 40.109 -43.532 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -26.172 40.027 -44.467 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -25.507 39.985 -43.108 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -27.233 36.691 -43.431 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -26.741 36.470 -44.221 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -26.871 37.532 -43.150 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -24.764 44.862 -36.888 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -25.585 45.037 -37.348 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -25.016 44.789 -35.967 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -24.408 49.093 -40.582 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -25.128 49.533 -41.033 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -24.774 48.842 -39.733 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -24.993 47.716 -43.671 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -25.012 47.291 -42.814 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -24.188 47.398 -44.080 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -22.852 46.426 -45.016 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -23.071 45.510 -44.847 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -22.028 46.566 -44.550 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -24.100 39.220 -23.375 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -24.058 38.594 -22.651 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -23.397 39.843 -23.193 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -25.856 39.492 -27.321 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -25.642 38.722 -26.794 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -25.118 39.581 -27.924 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -20.404 41.127 -22.600 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -21.144 41.725 -22.497 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -19.690 41.681 -22.916 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -21.996 43.091 -21.813 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -22.002 43.970 -22.191 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -22.850 43.008 -21.388 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -25.875 42.762 -31.031 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -26.147 42.991 -31.920 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -25.830 43.600 -30.571 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -20.262 43.862 -25.419 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -20.357 43.284 -26.176 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -19.533 43.491 -24.923 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -21.262 39.203 -24.467 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -20.697 39.324 -25.230 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -20.943 39.840 -23.828 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -20.382 43.602 -19.750 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -20.694 44.384 -19.294 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -21.032 43.449 -20.436 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -23.462 39.800 -20.521 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -23.392 40.451 -19.823 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -24.353 39.903 -20.856 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -17.619 44.887 -20.254 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -17.532 45.713 -19.779 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -18.483 44.557 -20.005 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -23.551 47.448 -28.667 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -23.399 47.100 -27.788 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -24.402 47.092 -28.922 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -11.446 36.806 -18.650 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -11.853 37.287 -19.370 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.405 35.901 -18.957 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -23.837 36.946 -21.695 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -23.875 37.346 -20.827 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -24.328 36.129 -21.605 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -23.718 41.655 -18.415 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -22.985 41.909 -17.854 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -24.498 41.859 -17.900 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -23.393 40.958 -25.809 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -22.648 40.956 -26.410 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -23.315 40.134 -25.327 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -26.385 39.419 -20.494 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -26.162 39.001 -19.662 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -26.987 38.806 -20.916 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -21.018 44.476 -28.404 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -20.491 45.249 -28.605 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -21.898 44.701 -28.706 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -19.076 46.288 -22.513 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -18.713 47.143 -22.746 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -18.544 45.996 -21.772 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -20.907 47.161 -29.283 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -21.857 47.266 -29.231 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -20.556 47.981 -28.938 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -11.292 34.186 -20.094 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -12.208 34.449 -20.182 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -10.956 34.183 -20.991 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -25.178 45.251 -29.478 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -26.010 45.724 -29.451 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -24.632 45.761 -30.077 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -19.327 41.644 -17.761 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -19.655 41.915 -18.619 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -19.175 40.703 -17.849 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -14.453 36.862 -16.557 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -14.261 35.931 -16.668 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -13.596 37.287 -16.567 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -22.385 36.436 -17.406 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -23.152 35.904 -17.616 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -21.706 36.126 -18.005 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -18.381 35.386 -17.830 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -18.617 35.166 -16.928 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -19.164 35.179 -18.339 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -15.665 34.513 -18.754 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -16.613 34.545 -18.622 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -15.353 33.888 -18.100 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -14.031 33.147 -16.749 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -14.128 32.195 -16.755 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -14.353 33.416 -15.888 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -24.204 34.357 -17.701 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -23.993 33.650 -18.312 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -24.316 33.919 -16.857 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -19.070 32.041 -16.668 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -19.201 31.565 -17.489 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -19.669 32.785 -16.724 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -25.955 43.560 -34.009 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -25.041 43.639 -33.736 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -25.948 42.873 -34.676 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -26.356 40.109 -24.676 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -26.172 40.027 -25.611 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -25.507 39.985 -24.252 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -9.038 37.904 -18.363 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -9.901 37.525 -18.528 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -8.434 37.165 -18.437 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -26.758 35.380 -18.535 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -25.839 35.258 -18.299 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -27.208 34.630 -18.146 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -9.237 33.021 -18.309 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -10.154 33.292 -18.345 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -9.114 32.486 -19.093 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -17.499 47.236 -18.814 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -17.314 46.902 -17.936 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -16.652 47.545 -19.136 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -10.236 31.111 -20.490 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -11.049 31.436 -20.878 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -10.003 30.351 -21.023 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -20.315 46.896 -25.312 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -20.102 46.008 -25.599 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -20.250 46.862 -24.357 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -25.742 46.940 -31.644 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -26.427 46.902 -32.312 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -25.739 47.853 -31.356 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -22.549 31.059 -17.292 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -21.650 30.785 -17.477 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -22.935 30.316 -16.828 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -23.924 47.860 -34.619 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -24.192 48.147 -33.746 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -23.153 47.314 -34.467 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -14.127 30.391 -17.110 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -14.051 29.965 -16.256 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -13.234 30.405 -17.452 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.401 40.350 -9.531 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -15.312 41.294 -9.663 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -16.040 40.075 -10.189 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -12.762 42.544 -7.810 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -13.203 41.824 -7.360 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -12.775 43.265 -7.180 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -15.651 47.649 -7.598 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -15.031 46.972 -7.871 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -15.859 47.431 -6.690 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -12.250 44.384 -5.462 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -13.192 44.442 -5.301 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -11.974 45.290 -5.599 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -13.998 46.165 -8.837 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -13.573 45.458 -9.322 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -13.681 46.966 -9.254 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -12.839 44.066 -10.328 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -13.096 43.376 -10.940 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -12.768 43.623 -9.483 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -11.153 42.632 -1.851 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -11.013 42.041 -2.590 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -10.985 43.505 -2.207 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -16.680 39.594 -12.079 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -17.392 40.129 -12.430 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -15.989 39.650 -12.739 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -16.626 38.052 -15.040 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -15.925 38.074 -14.389 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -16.324 37.424 -15.696 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -13.274 39.804 -11.127 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -14.006 40.032 -10.554 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -12.827 39.090 -10.672 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -14.953 44.706 -4.877 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -15.194 45.368 -4.229 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -15.151 43.872 -4.452 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -20.382 43.602 -0.894 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -20.694 44.384 -0.438 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -21.032 43.449 -1.580 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -14.403 38.966 -13.442 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -13.824 39.116 -12.695 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -13.989 39.437 -14.165 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -22.143 45.674 -0.130 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -22.135 45.538 -1.078 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -23.059 45.556 0.122 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -17.619 44.887 -1.398 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -17.532 45.713 -0.923 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -18.483 44.557 -1.149 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -17.205 48.659 -11.592 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -17.280 48.538 -12.538 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -17.172 49.609 -11.473 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -14.103 47.813 -14.589 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -13.728 47.069 -15.060 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -14.099 47.543 -13.671 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -14.434 47.739 -11.840 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -15.369 47.839 -11.661 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -14.154 47.030 -11.262 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -12.926 39.999 -15.812 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -12.884 39.776 -16.742 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -12.077 40.397 -15.622 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -17.353 33.875 -15.142 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -17.607 33.894 -14.219 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -17.610 33.003 -15.443 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.471 34.320 -16.041 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -20.902 33.875 -15.311 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -21.189 34.692 -16.553 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -25.954 34.808 -13.565 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -25.480 35.399 -14.150 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -26.672 35.339 -13.218 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -21.853 37.098 -14.658 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -22.395 36.718 -15.349 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.019 37.292 -15.087 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -18.518 41.663 -12.722 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -19.262 41.156 -13.045 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -18.652 41.712 -11.776 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -11.368 40.796 -3.936 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -10.726 41.253 -4.479 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -12.198 40.909 -4.398 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -16.998 41.847 -1.485 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -17.344 41.466 -0.679 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -17.198 42.781 -1.414 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -13.902 36.344 -12.862 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -13.010 36.207 -12.543 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -13.845 37.135 -13.399 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -16.392 43.122 -13.697 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -16.687 43.948 -13.315 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -17.095 42.502 -13.501 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -19.368 38.936 0.575 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -19.664 38.770 -0.320 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -18.437 38.716 0.565 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -14.748 44.309 -1.535 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -15.649 44.492 -1.803 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -14.714 44.568 -0.614 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -9.017 36.554 -13.168 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -9.571 36.158 -13.840 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -8.916 37.464 -13.445 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -9.053 42.354 -0.331 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -9.905 42.592 -0.698 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -8.463 42.337 -1.084 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -13.561 40.148 -5.681 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -14.489 39.916 -5.708 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -13.110 39.371 -6.011 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -15.532 42.387 -3.956 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.958 42.160 -3.130 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -14.951 41.649 -4.139 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -13.329 43.316 -14.882 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -12.976 42.936 -14.078 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -14.278 43.223 -14.796 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -12.463 41.989 -12.656 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -12.740 41.261 -12.100 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -11.536 42.108 -12.450 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -19.238 44.428 -16.435 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -18.999 43.680 -16.983 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -19.507 44.040 -15.603 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -17.563 45.696 -13.230 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -18.380 46.193 -13.177 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -17.034 46.171 -13.870 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -21.491 33.437 -13.632 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -21.574 34.326 -13.286 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -20.601 33.172 -13.401 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -12.690 37.937 -7.142 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -13.487 37.522 -7.471 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -12.245 37.246 -6.651 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -24.916 36.529 -15.456 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -24.961 37.468 -15.277 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -25.804 36.293 -15.726 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -25.889 47.864 0.708 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -25.349 47.647 1.467 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -26.370 47.058 0.518 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -21.292 46.783 2.328 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -20.524 46.324 2.669 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -21.313 46.557 1.398 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -17.200 46.291 -16.297 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -17.844 45.660 -15.975 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -16.438 45.760 -16.529 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -21.641 42.018 -16.206 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -21.577 41.224 -15.675 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -20.988 41.899 -16.895 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -19.327 41.644 1.095 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -19.655 41.915 0.237 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -19.175 40.703 1.007 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -16.289 43.065 -16.470 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -16.557 43.245 -15.569 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -16.495 42.139 -16.601 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -13.592 41.560 -1.522 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -12.847 42.148 -1.642 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -14.349 42.142 -1.459 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -20.492 39.990 -13.900 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -20.951 39.506 -13.214 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -20.237 39.322 -14.536 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -19.421 38.233 -15.637 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -19.601 38.079 -16.565 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -18.470 38.341 -15.593 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -16.183 40.354 1.734 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -15.230 40.438 1.706 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -16.343 39.643 2.353 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.523 48.924 -14.636 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.590 49.082 -14.492 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -19.787 49.599 -15.261 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -27.306 48.953 -10.076 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -27.953 48.491 -10.609 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -26.951 48.281 -9.493 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -10.873 43.200 2.269 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -11.739 43.095 2.663 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -10.497 43.959 2.716 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -9.178 39.510 -10.393 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -9.904 39.031 -9.995 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -8.597 39.716 -9.661 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -9.419 42.295 -5.445 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -8.585 41.917 -5.726 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -9.307 43.238 -5.564 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -8.910 39.411 -14.002 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -9.431 39.768 -14.721 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -8.943 40.086 -13.324 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -10.561 36.651 -15.451 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -10.464 37.318 -16.131 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -10.701 35.835 -15.933 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -11.391 38.031 -9.830 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -11.541 37.086 -9.850 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -11.745 38.312 -8.986 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -26.758 35.380 0.321 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -25.839 35.258 0.557 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -27.208 34.630 0.710 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -12.149 47.933 -9.719 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -11.496 47.586 -10.327 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -11.638 48.422 -9.073 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -24.764 44.862 0.824 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -25.585 45.037 0.364 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -25.016 44.789 1.745 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -17.499 47.236 0.042 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -17.314 46.902 0.920 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -16.652 47.545 -0.280 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -15.154 48.521 -0.714 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -14.477 47.889 -0.954 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -14.832 48.923 0.094 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -24.408 49.093 -2.870 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -25.128 49.533 -3.321 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -24.774 48.842 -2.021 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -14.903 47.459 -3.719 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -15.807 47.624 -3.985 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -14.474 48.312 -3.785 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -25.643 30.992 -13.686 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -25.204 31.603 -14.277 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -26.277 31.530 -13.212 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -23.782 32.908 -15.243 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -23.291 32.278 -15.771 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -23.159 33.204 -14.580 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -16.878 48.150 -14.391 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -16.012 48.516 -14.569 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -17.125 47.710 -15.204 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -15.401 40.350 9.325 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -15.312 41.294 9.193 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -16.040 40.075 8.667 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -24.100 39.220 14.337 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -24.058 38.594 15.061 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -23.397 39.843 14.519 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -26.566 37.330 8.265 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -27.014 38.176 8.247 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -27.127 36.750 7.750 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -25.856 39.492 10.391 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -25.642 38.722 10.918 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -25.118 39.581 9.788 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -14.938 36.432 13.478 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -14.795 35.485 13.498 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -15.044 36.639 12.549 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -14.061 34.664 9.151 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -13.415 34.335 9.776 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -13.551 35.182 8.528 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -25.163 36.930 11.512 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -24.509 36.380 11.944 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -25.139 36.656 10.596 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -20.007 38.480 10.728 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -19.391 37.954 11.237 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -20.593 37.840 10.324 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -15.604 42.951 8.368 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -15.900 42.629 7.517 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -15.928 43.851 8.410 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -12.297 33.955 11.132 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -12.512 33.189 11.664 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -11.641 34.427 11.645 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -25.875 42.762 6.681 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -26.147 42.991 5.792 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -25.830 43.600 7.141 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -11.950 32.670 14.811 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -12.686 33.281 14.773 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -11.266 33.085 14.285 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -16.680 39.594 6.777 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -17.392 40.129 6.426 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -15.989 39.650 6.117 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -13.274 39.804 7.729 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -14.006 40.032 8.302 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -12.827 39.090 8.184 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -21.629 40.434 9.612 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -21.959 40.064 8.793 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -21.041 39.764 9.958 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -21.262 39.203 13.245 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -20.697 39.324 12.482 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -20.943 39.840 13.884 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -22.639 39.504 7.201 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -22.931 40.272 6.710 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -23.313 38.844 7.038 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -21.587 36.626 14.150 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -22.229 36.585 14.859 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -21.550 37.552 13.912 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -15.050 36.709 10.693 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -15.245 37.314 9.978 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -14.868 35.875 10.258 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -23.837 36.946 16.017 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -23.875 37.346 16.885 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -24.328 36.129 16.107 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -14.603 33.509 13.412 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -15.280 33.640 14.076 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -15.089 33.354 12.602 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -21.853 37.098 4.198 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -22.395 36.718 3.507 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -21.019 37.292 3.769 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -17.688 37.062 12.035 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -17.124 36.515 11.488 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -17.836 36.540 12.824 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -19.062 35.450 14.449 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -19.897 35.904 14.559 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -18.538 35.726 15.201 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -18.518 41.663 6.134 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -19.262 41.156 5.811 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -18.652 41.712 7.080 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -16.392 43.122 5.159 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -16.687 43.948 5.541 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -17.095 42.502 5.355 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -9.017 36.554 5.688 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -9.571 36.158 5.016 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -8.916 37.464 5.411 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -25.263 39.338 3.895 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -24.647 39.965 4.274 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -26.125 39.654 4.166 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -13.329 43.316 3.974 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -12.976 42.936 4.778 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -14.278 43.223 4.060 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -24.751 34.172 16.776 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -25.644 34.511 16.709 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -24.850 33.317 17.194 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -12.463 41.989 6.200 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -12.740 41.261 6.756 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -11.536 42.108 6.406 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -19.238 44.428 2.421 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -18.999 43.680 1.873 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -19.507 44.040 3.253 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -23.848 41.251 5.387 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -24.534 41.603 5.954 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -23.325 42.014 5.141 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -16.016 33.913 15.666 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -15.318 33.987 16.316 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -16.397 33.049 15.821 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -17.496 36.279 16.783 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -17.377 36.853 17.540 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -16.841 35.591 16.898 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -12.690 37.937 11.714 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -13.487 37.522 11.385 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -12.245 37.246 12.205 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -23.232 43.865 4.284 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -22.640 44.564 4.560 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -22.773 43.432 3.565 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -24.916 36.529 3.400 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -24.961 37.468 3.579 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -25.804 36.293 3.130 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -21.641 42.018 2.650 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -21.577 41.224 3.181 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -20.988 41.899 1.961 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -16.289 43.065 2.386 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -16.557 43.245 3.287 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -16.495 42.139 2.255 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -20.492 39.990 4.956 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -20.951 39.506 5.642 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -20.237 39.322 4.320 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -19.421 38.233 3.219 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -19.601 38.079 2.291 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -18.470 38.341 3.263 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -20.863 35.238 18.395 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -20.713 34.509 17.792 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -20.861 36.015 17.836 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -15.665 34.513 18.958 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -16.613 34.545 19.090 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -15.353 33.888 19.612 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -14.031 33.147 20.963 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -14.128 32.195 20.957 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -14.353 33.416 21.824 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -24.204 34.357 20.011 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -23.993 33.650 19.400 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -24.316 33.919 20.855 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -19.070 32.041 21.044 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -19.201 31.565 20.223 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -19.669 32.785 20.988 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -25.955 43.560 3.703 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -25.041 43.639 3.976 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -25.948 42.873 3.036 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -9.572 41.457 6.639 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -8.722 41.878 6.767 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -9.567 40.717 7.247 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -9.178 39.510 8.463 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -9.904 39.031 8.861 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -8.597 39.716 9.195 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -8.910 39.411 4.854 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -9.431 39.768 4.135 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -8.943 40.086 5.532 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -11.391 38.031 9.026 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -11.541 37.086 9.006 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -11.745 38.312 9.870 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -11.067 32.877 7.537 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -10.885 32.428 8.362 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -11.667 32.292 7.073 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -27.233 36.691 13.137 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -26.741 36.470 12.347 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -26.871 37.532 13.418 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -26.956 31.687 15.536 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -27.621 31.441 16.179 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -27.399 32.309 14.959 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -10.236 31.111 17.222 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -11.049 31.436 16.834 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -10.003 30.351 16.689 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -11.664 30.667 11.657 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -11.060 31.215 11.156 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -12.533 30.987 11.417 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -9.937 31.806 9.991 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -9.325 31.292 9.464 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -9.554 32.684 10.014 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -14.343 31.151 10.829 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -14.267 31.246 9.880 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -14.619 30.243 10.958 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -24.522 31.708 18.884 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -24.888 30.943 19.327 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -23.609 31.737 19.171 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -22.549 31.059 20.420 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -21.650 30.785 20.235 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -22.935 30.316 20.884 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -23.924 47.860 3.093 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -24.192 48.147 3.966 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -23.153 47.314 3.245 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -14.127 30.391 20.602 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -14.051 29.965 21.456 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -13.234 30.405 20.260 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -26.385 58.275 -39.350 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -26.162 57.857 -38.518 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -26.987 57.662 -39.772 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -24.751 53.028 -39.792 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -25.644 53.367 -39.859 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -24.850 52.173 -39.374 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -25.982 60.530 -36.050 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -25.838 59.628 -36.336 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -26.755 60.816 -36.538 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -25.150 57.730 -36.630 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -24.742 56.873 -36.751 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -25.410 57.745 -35.709 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -22.385 55.292 -36.262 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -23.152 54.760 -36.472 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -21.706 54.982 -36.861 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -24.204 53.213 -36.557 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -23.993 52.506 -37.168 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -24.316 52.775 -35.713 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -26.956 50.543 -41.032 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -27.621 50.297 -40.389 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -27.399 51.165 -41.609 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -24.522 50.564 -37.684 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -24.888 49.799 -37.241 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -23.609 50.593 -37.397 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -22.549 49.915 -36.148 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -21.650 49.641 -36.333 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -22.935 49.172 -35.684 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -23.176 62.526 -24.840 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -23.546 61.724 -25.209 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -22.235 62.357 -24.793 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -26.566 56.186 -29.447 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -27.014 57.032 -29.465 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -27.127 55.606 -29.962 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -25.856 58.348 -27.321 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -25.642 57.578 -26.794 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -25.118 58.437 -27.924 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -21.783 53.389 -26.962 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -21.740 54.249 -27.380 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -22.241 52.837 -27.595 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -25.163 55.786 -26.200 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -24.509 55.236 -25.768 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -25.139 55.512 -27.116 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -22.973 52.307 -22.888 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -23.192 52.837 -23.654 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -23.641 52.534 -22.240 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -20.404 59.983 -22.600 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -21.144 60.581 -22.497 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -19.690 60.537 -22.916 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -23.379 54.199 -24.935 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -22.766 54.832 -24.562 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -22.867 53.727 -25.592 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -21.996 61.947 -21.813 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -22.002 62.826 -22.191 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -22.850 61.864 -21.388 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -18.947 49.613 -25.435 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -19.064 48.664 -25.489 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -19.802 49.945 -25.162 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -21.262 58.059 -24.467 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -20.697 58.180 -25.230 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -20.943 58.696 -23.828 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -26.795 63.503 -24.812 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -25.849 63.359 -24.831 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -26.908 64.287 -24.275 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -24.297 62.046 -20.653 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -24.080 61.685 -19.793 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -25.152 61.672 -20.863 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -21.678 50.516 -24.657 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -22.539 50.429 -25.065 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -21.700 51.372 -24.230 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -21.587 55.482 -23.562 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -22.229 55.441 -22.853 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -21.550 56.408 -23.800 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -25.954 53.664 -32.421 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -25.480 54.255 -33.006 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -26.672 54.195 -32.074 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -24.180 54.759 -28.737 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -25.069 54.859 -29.077 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -23.884 53.917 -29.083 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -21.853 55.954 -33.514 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -22.395 55.574 -34.205 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -21.019 56.148 -33.943 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -23.718 60.511 -18.415 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -22.985 60.765 -17.854 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -24.498 60.715 -17.900 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -22.686 52.054 -29.259 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -23.003 51.152 -29.294 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -21.905 52.056 -29.811 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -23.393 59.814 -25.809 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -22.648 59.812 -26.410 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -23.315 58.990 -25.327 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -19.368 57.792 -18.281 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -19.664 57.626 -19.176 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -18.437 57.572 -18.291 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -25.263 58.194 -33.817 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -24.647 58.821 -33.438 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -26.125 58.510 -33.546 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -25.100 64.833 -22.501 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -24.883 63.901 -22.532 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -24.853 65.107 -21.617 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -24.916 55.385 -34.312 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -24.961 56.324 -34.133 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -25.804 55.149 -34.582 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -24.108 50.167 -25.639 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -24.337 50.226 -26.566 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -24.551 49.375 -25.332 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -25.982 60.530 -17.194 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -25.838 59.628 -17.480 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -26.755 60.816 -17.682 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -21.203 56.739 -20.400 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -21.821 57.414 -20.119 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -20.859 57.060 -21.233 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -20.863 54.094 -19.317 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -20.713 53.365 -19.920 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -20.861 54.871 -19.876 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -20.451 52.464 -21.825 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -19.915 52.915 -22.477 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -21.303 52.356 -22.247 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -18.869 57.903 -21.585 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -18.118 57.747 -22.158 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -19.208 58.755 -21.861 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -22.385 55.292 -17.406 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -23.152 54.760 -17.616 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -21.706 54.982 -18.005 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -19.645 49.920 -21.393 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -19.743 50.867 -21.499 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -20.388 49.548 -21.869 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -19.423 49.214 -18.722 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -18.711 48.574 -18.736 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -19.524 49.481 -19.636 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -19.070 50.897 -16.668 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -19.201 50.421 -17.489 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -19.669 51.641 -16.724 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -25.537 52.548 -25.644 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -25.092 51.756 -25.342 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -25.071 53.264 -25.213 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -24.764 63.718 -18.032 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -25.585 63.893 -18.492 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -25.016 63.645 -17.111 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -24.480 50.050 -28.345 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -25.257 49.816 -28.853 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -23.949 49.253 -28.337 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -25.643 49.848 -32.542 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -25.204 50.459 -33.133 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -26.277 50.386 -32.068 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -23.782 51.764 -34.099 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -23.291 51.134 -34.627 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -23.159 52.060 -33.436 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -26.566 56.186 -10.591 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -27.014 57.032 -10.609 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -27.127 55.606 -11.106 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -21.783 53.389 -8.106 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -21.740 54.249 -8.524 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -22.241 52.837 -8.739 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -22.973 52.307 -4.032 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -23.192 52.837 -4.798 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -23.641 52.534 -3.384 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -23.379 54.199 -6.079 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -22.766 54.832 -5.706 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -22.867 53.727 -6.736 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -21.678 50.516 -5.801 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -22.539 50.429 -6.209 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -21.700 51.372 -5.374 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -17.015 50.238 -2.427 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -16.595 49.823 -1.674 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -17.948 50.060 -2.310 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -20.471 53.176 -16.041 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -20.902 52.731 -15.311 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -21.189 53.548 -16.553 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -27.229 52.918 -8.989 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -26.598 52.889 -8.269 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -26.779 52.493 -9.719 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -25.954 53.664 -13.565 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -25.480 54.255 -14.150 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -26.672 54.195 -13.218 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -19.008 53.130 -8.708 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -19.919 53.187 -8.419 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -18.503 53.070 -7.897 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -24.180 54.759 -9.881 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -25.069 54.859 -10.221 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -23.884 53.917 -10.227 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -21.853 55.954 -14.658 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -22.395 55.574 -15.349 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -21.019 56.148 -15.087 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -22.686 52.054 -10.403 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -23.003 51.152 -10.438 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -21.905 52.056 -10.955 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -25.263 58.194 -14.961 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -24.647 58.821 -14.582 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -26.125 58.510 -14.690 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -24.751 53.028 -2.080 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -25.644 53.367 -2.147 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -24.850 52.173 -1.662 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -23.848 60.107 -13.469 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -24.534 60.459 -12.902 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -23.325 60.870 -13.715 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -15.232 52.421 -12.093 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -15.012 52.893 -12.896 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -14.674 52.816 -11.422 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -18.032 54.149 -11.258 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -17.220 54.653 -11.212 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -18.277 54.004 -10.344 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -17.148 51.230 -10.320 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -17.495 51.848 -9.675 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -16.490 51.731 -10.801 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -21.491 52.293 -13.632 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -21.574 53.182 -13.286 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -20.601 52.028 -13.401 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -24.916 55.385 -15.456 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -24.961 56.324 -15.277 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -25.804 55.149 -15.726 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -21.641 60.874 -16.206 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -21.577 60.080 -15.675 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -20.988 60.755 -16.895 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -19.421 57.089 -15.637 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -19.601 56.935 -16.565 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -18.470 57.197 -15.593 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -20.451 52.464 -2.969 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -19.915 52.915 -3.621 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -21.303 52.356 -3.391 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -19.645 49.920 -2.537 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -19.743 50.867 -2.643 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -20.388 49.548 -3.013 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -19.423 49.214 0.134 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -18.711 48.574 0.120 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -19.524 49.481 -0.780 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -25.955 62.416 -15.153 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -25.041 62.495 -14.880 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -25.948 61.729 -15.820 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -25.537 52.548 -6.788 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -25.092 51.756 -6.486 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -25.071 53.264 -6.357 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -26.956 50.543 -3.320 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -27.621 50.297 -2.677 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -27.399 51.165 -3.897 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -16.806 51.416 -7.311 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -17.481 50.787 -7.056 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -16.242 50.932 -7.914 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -14.343 50.007 -8.027 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -14.267 50.102 -8.976 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -14.619 49.099 -7.898 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -23.782 51.764 -15.243 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -23.291 51.134 -15.771 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -23.159 52.060 -14.580 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -18.756 52.057 -12.786 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -18.578 51.411 -12.103 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -18.810 52.891 -12.319 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -24.522 50.564 0.028 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -24.888 49.799 0.471 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -23.609 50.593 0.315 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -22.549 49.915 1.564 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -21.650 49.641 1.379 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -22.935 49.172 2.028 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 10.258 -11.255 18.582 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 10.209 -12.210 18.545 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 9.432 -10.987 18.984 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 7.540 -7.387 19.689 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 7.740 -6.963 18.854 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 8.196 -7.044 20.296 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 9.532 -9.158 16.487 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 9.045 -9.893 16.116 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 10.081 -9.551 17.165 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 3.702 -8.047 18.142 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 4.379 -8.679 17.902 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 4.024 -7.645 18.950 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 7.905 -10.104 19.295 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 7.123 -10.290 18.775 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 7.833 -9.175 19.512 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 3.205 -8.919 30.114 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 3.825 -9.596 29.841 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 2.997 -9.137 31.022 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 6.606 -12.184 32.250 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 5.664 -12.126 32.411 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 6.882 -11.278 32.113 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 4.858 -10.403 28.875 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 5.283 -11.110 28.390 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 5.175 -9.602 28.458 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 9.341 -11.486 22.460 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 9.414 -10.547 22.630 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 10.246 -11.791 22.403 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 1.651 -7.909 26.120 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 1.576 -8.030 25.174 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 1.684 -6.959 26.239 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 4.753 -8.755 23.123 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 5.128 -9.499 22.652 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 4.757 -9.025 24.041 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 4.422 -8.829 25.872 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 3.487 -8.729 26.051 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 4.702 -9.538 26.450 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 8.135 -11.228 25.009 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 7.762 -12.054 25.319 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 8.412 -11.411 24.112 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 7.253 -9.375 32.192 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 7.097 -8.697 31.535 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 8.185 -9.303 32.395 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 6.260 -10.460 21.649 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 6.543 -11.254 22.102 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 7.000 -10.227 21.088 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 9.532 -9.158 35.343 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 9.045 -9.893 34.972 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 10.081 -9.551 36.021 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 7.924 -11.395 34.574 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 7.276 -11.070 35.199 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 7.406 -11.835 33.899 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 6.707 -8.635 27.993 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 7.360 -8.982 27.385 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 7.218 -8.146 28.639 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 1.626 -7.987 33.048 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 1.169 -7.458 32.394 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 1.789 -7.384 33.773 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 6.558 -7.539 34.288 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 6.376 -6.623 34.077 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 6.734 -7.949 33.441 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 8.687 -8.855 26.001 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 8.493 -9.603 25.436 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 8.648 -8.097 25.417 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -7.033 10.152 0.708 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -6.493 9.935 1.467 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -7.514 9.346 0.518 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -8.450 11.241 -10.076 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -9.097 10.779 -10.609 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.095 10.569 -9.493 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -5.552 11.381 -2.870 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -6.272 11.821 -3.321 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -5.918 11.130 -2.021 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 3.455 2.638 9.325 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 3.544 3.582 9.193 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 2.816 2.363 8.667 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 2.388 1.893 12.744 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 2.350 1.247 13.449 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 2.065 1.427 11.973 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -7.000 1.780 10.391 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -6.786 1.010 10.918 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -6.262 1.869 9.788 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -2.927 -3.179 10.750 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -2.884 -2.319 10.332 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -3.385 -3.731 10.117 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -6.307 -0.782 11.512 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -5.653 -1.332 11.944 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -6.283 -1.056 10.596 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -1.151 0.768 10.728 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -0.535 0.242 11.237 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -1.737 0.128 10.324 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 9.832 -2.595 16.247 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 9.143 -1.937 16.152 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 9.847 -2.792 17.184 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -4.523 -2.369 12.777 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -3.910 -1.736 13.150 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -4.011 -2.841 12.120 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -7.019 5.050 6.681 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -7.291 5.279 5.792 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -6.974 5.888 7.141 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 6.606 6.672 13.394 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 5.664 6.730 13.555 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 6.882 7.578 13.257 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 6.906 -5.042 14.811 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 6.170 -4.431 14.773 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 7.590 -4.627 14.285 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 7.703 4.920 17.005 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 7.843 4.329 16.266 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 7.871 5.793 16.649 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 9.545 1.260 15.071 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 8.893 1.955 15.160 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 10.010 1.470 14.261 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 5.479 0.266 16.797 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 5.559 1.029 17.369 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 4.878 0.545 16.106 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -2.773 2.722 9.612 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -3.103 2.352 8.793 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -2.185 2.052 9.958 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 3.903 6.994 13.979 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 3.662 7.656 14.627 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 3.705 6.160 14.404 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 2.179 7.991 8.849 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 2.653 8.286 9.627 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 1.616 8.729 8.616 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -3.783 1.792 7.201 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -4.075 2.560 6.710 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -4.457 1.132 7.038 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -7.690 4.155 16.016 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -8.191 4.127 15.201 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -7.684 3.249 16.326 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 10.258 7.601 18.582 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 10.209 6.646 18.545 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 9.432 7.869 18.984 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -4.695 9.736 9.045 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -4.543 9.388 9.924 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -5.546 9.380 8.790 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 5.167 -2.574 17.283 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 4.653 -2.700 18.080 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 5.012 -1.662 17.038 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -2.731 -1.086 14.150 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -3.373 -1.127 14.859 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -2.694 -0.160 13.912 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -2.734 -0.865 9.062 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -3.627 -1.206 9.003 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -2.283 -1.242 8.306 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 1.904 -0.274 19.367 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 1.341 -0.978 19.687 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 2.730 -0.394 19.834 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -4.981 -0.766 16.017 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -5.019 -0.366 16.885 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -5.472 -1.583 16.107 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 3.070 0.635 15.364 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 3.394 0.004 14.721 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 2.630 0.100 16.025 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -5.324 -1.809 8.975 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -6.213 -1.709 8.635 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -5.028 -2.651 8.629 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 7.540 11.469 19.689 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 7.740 11.893 18.854 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 8.196 11.812 20.296 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 1.168 -0.650 12.035 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 1.732 -1.197 11.488 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 1.020 -1.172 12.824 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -0.206 -2.262 14.449 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -1.041 -1.808 14.559 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 0.318 -1.986 15.201 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 7.488 3.084 14.920 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 8.130 3.541 14.377 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 6.658 3.197 14.458 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -7.529 1.707 17.218 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -7.306 1.289 18.050 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -8.131 1.094 16.796 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 9.803 4.642 18.525 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 8.951 4.880 18.158 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 10.393 4.625 17.772 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -2.162 6.764 9.308 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -1.635 7.537 9.107 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -3.042 6.989 9.006 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -0.735 4.427 8.884 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -0.976 5.352 8.926 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -1.475 3.968 9.280 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -0.220 8.576 15.199 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 0.143 9.431 14.966 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 0.312 8.284 15.940 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -2.051 9.449 8.429 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -3.001 9.554 8.481 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -1.700 10.269 8.774 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 3.324 4.675 14.900 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 2.898 4.448 15.726 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 3.905 3.937 14.717 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 5.983 9.227 17.369 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 5.381 8.672 16.874 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 6.264 9.894 16.743 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 2.840 -3.799 15.666 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 3.538 -3.725 16.316 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 2.459 -4.663 15.821 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 1.360 -1.433 16.783 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 1.479 -0.859 17.540 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 2.015 -2.121 16.898 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 7.564 -3.526 17.618 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 6.648 -3.263 17.530 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 7.900 -3.529 16.721 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -6.322 7.539 8.234 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -7.154 8.012 8.261 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -5.776 8.049 7.635 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -7.126 3.962 20.518 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -6.982 3.060 20.232 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -7.899 4.248 20.030 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 5.264 3.848 17.334 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 6.009 4.436 17.214 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 4.507 4.430 17.397 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -6.294 1.162 19.938 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.886 0.305 19.817 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -6.554 1.177 20.859 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -2.347 0.171 17.312 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -2.965 0.846 17.593 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -2.003 0.492 16.479 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -2.007 -2.474 18.395 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -1.857 -3.203 17.792 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -2.005 -1.697 17.836 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -0.013 1.335 16.127 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 0.738 1.179 15.554 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -0.352 2.187 15.851 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -3.529 -1.276 20.306 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -4.296 -1.808 20.096 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -2.850 -1.586 19.707 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 0.475 -2.326 19.882 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 0.239 -2.546 20.784 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -0.308 -2.533 19.373 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 3.191 -3.199 18.958 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 2.243 -3.167 19.090 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 3.503 -3.824 19.612 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -0.214 -5.671 21.044 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -0.345 -6.147 20.223 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -0.813 -4.927 20.988 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 7.983 5.488 21.125 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 7.117 5.383 21.519 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 8.359 6.247 21.572 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 7.924 7.461 15.718 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 7.276 7.786 16.343 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 7.406 7.021 15.043 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -7.500 2.397 13.036 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -7.316 2.315 12.101 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -6.651 2.273 13.460 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 8.321 2.289 18.665 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 8.904 1.555 18.856 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 8.885 3.061 18.711 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 9.818 0.192 19.349 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 8.955 -0.187 19.184 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 10.422 -0.547 19.275 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 7.816 -0.780 15.700 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 6.973 -0.512 16.066 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 8.259 0.042 15.489 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -8.377 -1.021 13.137 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -7.885 -1.242 12.347 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -8.015 -0.180 13.418 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 9.619 -4.691 19.403 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 8.702 -4.420 19.367 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 9.742 -5.226 18.619 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 3.702 10.809 18.142 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 4.379 10.177 17.902 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 4.024 11.211 18.950 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 8.620 -6.601 17.222 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 7.807 -6.276 16.834 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 8.853 -7.361 16.689 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 1.626 10.869 14.192 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 1.169 11.398 13.538 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 1.789 11.472 14.917 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 3.953 9.747 15.137 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 3.049 9.912 14.871 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 4.382 10.600 15.071 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -1.459 9.184 12.400 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -1.246 8.296 12.113 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -1.394 9.150 13.355 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -6.886 9.228 6.068 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -7.571 9.190 5.400 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -6.883 10.141 6.356 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 4.729 -7.321 20.602 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 4.805 -7.747 21.456 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 5.622 -7.307 20.260 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 7.905 8.752 19.295 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 7.123 8.566 18.775 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 7.833 9.681 19.512 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 2.388 1.893 31.600 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 2.350 1.247 32.305 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 2.065 1.427 30.829 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 6.094 4.832 29.902 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 5.653 4.112 30.352 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 6.081 5.553 30.532 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -4.320 5.958 31.728 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -4.690 5.156 31.359 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -3.379 5.789 31.775 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -7.710 -0.382 27.121 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -8.158 0.464 27.103 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -8.271 -0.962 26.606 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -7.000 1.780 29.247 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -6.786 1.010 29.774 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -6.262 1.869 28.644 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 3.205 9.937 30.114 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 3.825 9.260 29.841 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 2.997 9.719 31.022 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 0.777 4.326 32.006 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 1.081 3.640 31.412 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 1.499 4.444 32.624 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 3.918 -1.280 32.334 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 4.061 -2.227 32.354 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 3.812 -1.073 31.405 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -2.927 -3.179 29.606 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -2.884 -2.319 29.188 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -3.385 -3.731 28.973 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 9.832 -2.595 35.103 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 9.143 -1.937 35.008 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 9.847 -2.792 36.040 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -1.548 3.415 33.968 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -2.288 4.013 34.071 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -0.834 3.969 33.652 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 6.606 6.672 32.250 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 5.664 6.730 32.411 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 6.882 7.578 32.113 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 6.906 -5.042 33.667 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 6.170 -4.431 33.629 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 7.590 -4.627 33.141 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -0.091 -6.955 31.133 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -0.208 -7.904 31.079 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -0.946 -6.623 31.406 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 4.858 8.453 28.875 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 5.283 7.746 28.390 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 5.175 9.254 28.458 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 9.545 1.260 33.927 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 8.893 1.955 34.016 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 10.010 1.470 33.117 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 5.479 0.266 35.653 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 5.559 1.029 36.225 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 4.878 0.545 34.962 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -1.406 6.150 31.149 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -1.501 5.572 30.392 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -0.677 5.779 31.645 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -2.406 1.491 32.101 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -1.841 1.612 31.338 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -2.087 2.128 32.740 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 3.903 6.994 32.835 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 3.662 7.656 33.483 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 3.705 6.160 33.260 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 9.341 7.370 22.460 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 9.414 8.309 22.630 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 10.246 7.065 22.403 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 1.651 10.947 26.120 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 1.576 10.826 25.174 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 1.684 11.897 26.239 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -4.695 9.736 27.901 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -4.543 9.388 28.780 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -5.546 9.380 27.646 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 4.753 10.101 23.123 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 5.128 9.357 22.652 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 4.757 9.831 24.041 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 4.422 10.027 25.872 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 3.487 10.127 26.051 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 4.702 9.318 26.450 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 1.503 -3.837 22.570 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 1.249 -3.818 23.493 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 1.246 -4.709 22.269 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -2.731 -1.086 33.006 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -3.373 -1.127 33.715 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -2.694 -0.160 32.768 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -2.734 -0.865 27.918 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -3.627 -1.206 27.859 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -2.283 -1.242 27.162 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -1.615 -3.392 21.671 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -2.046 -3.837 22.401 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -2.333 -3.020 21.159 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -7.098 -2.904 24.147 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -6.624 -2.313 23.562 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -7.816 -2.373 24.494 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 3.070 0.635 34.220 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 3.394 0.004 33.577 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 2.630 0.100 34.881 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -0.152 -3.438 29.004 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -1.063 -3.381 29.293 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 0.353 -3.498 29.815 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -5.324 -1.809 27.831 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -6.213 -1.709 27.491 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -5.028 -2.651 27.485 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -1.671 -1.809 25.487 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -0.739 -1.680 25.665 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -1.886 -1.139 24.838 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 4.253 -4.203 32.268 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 3.576 -4.072 32.932 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 3.767 -4.358 31.458 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -2.997 -0.614 23.054 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -3.539 -0.994 22.363 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -2.163 -0.420 22.625 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 1.168 -0.650 30.891 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 1.732 -1.197 30.344 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 1.020 -1.172 31.680 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -0.206 -2.262 33.305 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -1.041 -1.808 33.415 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 0.318 -1.986 34.057 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 7.488 3.084 33.776 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 8.130 3.541 33.233 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 6.658 3.197 33.314 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -4.537 3.246 30.759 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -3.792 3.244 30.158 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -4.459 2.422 31.241 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 8.135 7.628 25.009 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 7.762 6.802 25.319 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 8.412 7.445 24.112 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 5.295 2.436 32.031 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 4.367 2.204 32.004 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 5.746 1.659 31.701 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -6.407 1.626 22.751 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -5.791 2.253 23.130 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -7.269 1.942 23.022 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -0.220 8.576 34.055 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 0.143 9.431 33.822 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 0.312 8.284 34.796 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -2.051 9.449 27.285 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -3.001 9.554 27.337 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -1.700 10.269 27.630 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 3.324 4.675 33.756 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 2.898 4.448 34.582 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 3.905 3.937 33.573 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 10.031 10.084 23.031 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 10.774 10.670 22.891 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 9.336 10.652 23.364 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 2.840 -3.799 34.522 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 3.538 -3.725 35.172 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 2.459 -4.663 34.677 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 0.824 -2.419 26.454 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 1.636 -1.915 26.500 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 0.579 -2.564 27.368 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 1.708 -5.338 27.392 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 1.361 -4.720 28.037 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 2.366 -4.837 26.911 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 7.564 -3.526 36.474 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 6.648 -3.263 36.386 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 7.900 -3.529 35.577 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -6.060 -1.183 22.256 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -6.105 -0.244 22.435 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -6.948 -1.419 21.986 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -6.322 7.539 27.090 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -7.154 8.012 27.117 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -5.776 8.049 26.491 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 6.260 8.396 21.649 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 6.543 7.602 22.102 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 7.000 8.629 21.088 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -0.013 1.335 34.983 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 0.738 1.179 34.410 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -0.352 2.187 34.707 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -0.667 11.212 23.076 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 0.266 11.370 23.220 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -0.931 11.887 22.451 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.099 5.848 22.559 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -6.185 5.927 22.832 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -7.092 5.161 21.892 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 9.437 4.583 32.267 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 10.271 4.205 31.986 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 9.549 5.526 32.148 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 7.816 -0.780 34.556 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 6.973 -0.512 34.922 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 8.259 0.042 34.345 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 9.619 -4.691 38.259 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 8.702 -4.420 38.223 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 9.742 -5.226 37.475 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 6.707 10.221 27.993 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 7.360 9.874 27.385 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 7.218 10.710 28.639 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 8.620 -6.601 36.078 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 7.807 -6.276 35.690 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 8.853 -7.361 35.545 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -3.996 8.714 30.408 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -4.215 7.798 30.577 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -3.172 8.854 30.874 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -1.459 9.184 31.256 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -1.246 8.296 30.969 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -1.394 9.150 32.211 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 2.050 -5.152 30.401 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 1.375 -5.781 30.656 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 2.614 -5.636 29.798 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -1.044 -6.591 28.036 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -0.170 -6.203 28.006 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -1.180 -6.806 28.959 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 4.513 -6.561 29.685 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 4.589 -6.466 28.736 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 4.237 -7.469 29.814 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 5.866 -6.535 25.378 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 5.163 -5.921 25.168 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 5.421 -7.373 25.509 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -6.886 9.228 24.924 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -7.571 9.190 24.256 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -6.883 10.141 25.212 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 0.100 -4.511 24.926 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 0.278 -5.157 25.609 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 0.046 -3.677 25.393 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 1.978 10.438 23.321 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 2.844 10.804 23.143 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 1.731 9.998 22.508 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 8.687 10.001 26.001 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 8.493 9.253 25.436 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 8.648 10.759 25.417 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -3.287 26.818 -18.986 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -3.279 26.682 -19.934 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -4.203 26.700 -18.734 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -4.862 22.799 -18.415 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -4.129 23.053 -17.854 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -5.642 23.003 -17.900 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -7.033 29.008 -18.148 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -6.493 28.791 -17.389 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -7.514 28.202 -18.338 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -2.436 27.927 -16.528 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -1.668 27.468 -16.187 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -2.457 27.701 -17.458 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -7.126 22.818 -17.194 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -6.982 21.916 -17.480 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -7.899 23.104 -17.682 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -6.294 20.018 -17.774 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -5.886 19.161 -17.895 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -6.554 20.033 -16.853 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -5.908 26.006 -18.032 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -6.729 26.181 -18.492 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -6.160 25.933 -17.111 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -5.552 30.237 -21.726 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -6.272 30.677 -22.177 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -5.918 29.986 -20.877 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 3.455 21.494 -9.531 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 3.544 22.438 -9.663 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 2.816 21.219 -10.189 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 2.388 20.749 -6.112 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 2.350 20.103 -5.407 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 2.065 20.283 -6.883 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 3.205 28.793 -7.598 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 3.825 28.116 -7.871 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 2.997 28.575 -6.690 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 0.777 23.182 -5.706 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 1.081 22.496 -6.300 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 1.499 23.300 -5.088 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -2.927 15.677 -8.106 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -2.884 16.537 -8.524 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -3.385 15.125 -8.739 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -1.151 19.624 -8.128 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -0.535 19.098 -7.619 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -1.737 18.984 -8.532 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -4.117 14.595 -4.032 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.336 15.125 -4.798 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -4.785 14.822 -3.384 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 3.252 24.095 -10.488 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 2.956 23.773 -11.339 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 2.928 24.995 -10.446 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -4.523 16.487 -6.079 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -3.910 17.120 -5.706 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -4.011 16.015 -6.736 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 4.858 27.309 -8.837 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 5.283 26.602 -9.322 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 5.175 28.110 -9.254 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 3.903 25.850 -4.877 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 3.662 26.512 -4.229 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 3.705 25.016 -4.452 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -1.526 24.746 -0.894 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -1.838 25.528 -0.438 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -2.176 24.593 -1.580 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 2.179 26.847 -10.007 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 2.653 27.142 -9.229 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 1.616 27.585 -10.240 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -3.287 26.818 -0.130 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -3.279 26.682 -1.078 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -4.203 26.700 0.122 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 1.237 26.031 -1.398 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 1.324 26.857 -0.923 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 0.373 25.701 -1.149 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 1.651 29.803 -11.592 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 1.576 29.682 -12.538 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 1.684 30.753 -11.473 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -2.822 12.804 -5.801 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -3.683 12.717 -6.209 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -2.844 13.660 -5.374 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -2.731 17.770 -4.706 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -3.373 17.729 -3.997 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -2.694 18.696 -4.944 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -2.734 17.991 -9.794 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -3.627 17.650 -9.853 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -2.283 17.614 -10.550 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -7.098 15.952 -13.565 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -6.624 16.543 -14.150 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -7.816 16.483 -13.218 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -5.324 17.047 -9.881 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -6.213 17.147 -10.221 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -5.028 16.205 -10.227 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -1.671 17.047 -12.225 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -0.739 17.176 -12.047 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -1.886 17.717 -12.874 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -2.997 18.242 -14.658 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -3.539 17.862 -15.349 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -2.163 18.436 -15.087 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 1.168 18.206 -6.821 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 1.732 17.659 -7.368 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 1.020 17.684 -6.032 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -3.830 14.342 -10.403 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -4.147 13.440 -10.438 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -3.049 14.344 -10.955 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -0.206 16.594 -4.407 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -1.041 17.048 -4.297 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 0.318 16.870 -3.655 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 0.338 22.807 -12.722 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -0.406 22.300 -13.045 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 0.204 22.856 -11.776 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 1.858 22.991 -1.485 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 1.512 22.610 -0.679 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 1.658 23.925 -1.414 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -0.512 20.080 0.575 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -0.808 19.914 -0.320 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 0.419 19.860 0.565 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -0.735 23.283 -9.972 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -0.976 24.208 -9.930 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -1.475 22.824 -9.576 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -2.051 28.305 -10.427 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -3.001 28.410 -10.375 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -1.700 29.125 -10.082 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 3.324 23.531 -3.956 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 2.898 23.304 -3.130 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 3.905 22.793 -4.139 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -0.382 25.572 -16.435 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -0.143 24.824 -16.983 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -0.651 25.184 -15.603 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -1.445 25.142 -13.979 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -1.298 24.622 -13.189 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -1.448 26.049 -13.673 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 1.293 26.840 -13.230 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 0.476 27.337 -13.177 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 1.822 27.315 -13.870 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -1.369 27.883 -13.248 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -1.208 28.683 -13.749 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -1.566 28.190 -12.363 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -4.376 25.009 -14.572 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -3.784 25.708 -14.296 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -3.917 24.576 -15.291 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -6.060 17.673 -15.456 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -6.105 18.612 -15.277 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -6.948 17.437 -15.726 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -5.252 12.455 -6.783 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -5.481 12.514 -7.710 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -5.695 11.663 -6.476 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -2.436 27.927 2.328 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -1.668 27.468 2.669 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.457 27.701 1.398 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -2.785 23.162 -16.206 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -2.721 22.368 -15.675 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -2.132 23.043 -16.895 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -0.471 22.788 1.095 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -0.799 23.059 0.237 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -0.319 21.847 1.007 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -1.636 21.134 -13.900 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -2.095 20.650 -13.214 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -1.381 20.466 -14.536 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -2.347 19.027 -1.544 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -2.965 19.702 -1.263 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -2.003 19.348 -2.377 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -0.565 19.377 -15.637 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -0.745 19.223 -16.565 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 0.386 19.485 -15.593 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -2.007 16.382 -0.461 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -1.857 15.653 -1.064 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -2.005 17.159 -1.020 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -1.595 14.752 -2.969 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -1.059 15.203 -3.621 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -2.447 14.644 -3.391 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -0.013 20.191 -2.729 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 0.738 20.035 -3.302 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -0.352 21.043 -3.005 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -3.529 17.580 1.450 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -4.296 17.048 1.240 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -2.850 17.270 0.851 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -5.348 15.501 1.155 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -5.137 14.794 0.544 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -5.460 15.063 1.999 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -0.667 30.068 -14.636 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 0.266 30.226 -14.492 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -0.931 30.743 -15.261 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -8.064 14.093 -11.664 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -8.989 14.302 -11.794 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -7.610 14.577 -12.354 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -8.100 12.831 -3.320 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -8.765 12.585 -2.677 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -8.543 13.453 -3.897 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 1.357 28.380 0.042 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 1.542 28.046 0.920 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 2.204 28.689 -0.280 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 1.626 29.725 -4.664 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 1.169 30.254 -5.318 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 1.789 30.328 -3.939 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 3.953 28.603 -3.719 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 3.049 28.768 -3.985 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 4.382 29.456 -3.785 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -5.624 12.338 -9.489 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -6.401 12.104 -9.997 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -5.093 11.541 -9.481 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -5.666 12.852 0.028 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -6.032 12.087 0.471 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -4.753 12.881 0.315 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -3.693 12.203 1.564 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -2.794 11.929 1.379 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -4.079 11.460 2.028 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -5.244 20.364 14.337 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -5.202 19.738 15.061 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -4.541 20.987 14.519 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -7.710 18.474 8.265 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -8.158 19.320 8.247 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -8.271 17.894 7.750 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -7.000 20.636 10.391 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -6.786 19.866 10.918 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -6.262 20.725 9.788 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -2.927 15.677 10.750 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -2.884 16.537 10.332 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -3.385 15.125 10.117 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -6.307 18.074 11.512 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -5.653 17.524 11.944 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -6.283 17.800 10.596 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -4.117 14.595 14.824 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -4.336 15.125 14.058 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -4.785 14.822 15.472 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -4.523 16.487 12.777 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -3.910 17.120 13.150 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -4.011 16.015 12.120 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -0.091 11.901 12.277 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -0.208 10.952 12.223 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -0.946 12.233 12.550 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -4.606 20.944 17.191 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -4.536 21.595 17.889 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -5.497 21.047 16.856 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -3.783 20.648 7.201 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -4.075 21.416 6.710 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -4.457 19.988 7.038 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -7.690 23.011 16.016 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -8.191 22.983 15.201 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -7.684 22.105 16.326 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -7.939 25.791 12.900 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -6.993 25.647 12.881 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -8.052 26.575 13.437 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -4.695 28.592 9.045 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -4.543 28.244 9.924 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -5.546 28.236 8.790 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -2.822 12.804 13.055 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -3.683 12.717 12.647 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -2.844 13.660 13.482 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 1.841 12.526 16.429 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 2.261 12.111 17.182 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 0.908 12.348 16.546 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -2.731 17.770 14.150 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -3.373 17.729 14.859 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -2.694 18.696 13.912 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -4.981 18.090 16.017 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -5.019 18.490 16.885 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -5.472 17.273 16.107 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -7.098 15.952 5.291 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -6.624 16.543 4.706 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -7.816 16.483 5.638 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -5.324 17.047 8.975 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -6.213 17.147 8.635 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -5.028 16.205 8.629 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.997 18.242 4.198 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -3.539 17.862 3.507 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -2.163 18.436 3.769 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -3.830 14.342 8.453 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -4.147 13.440 8.418 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -3.049 14.344 7.901 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -0.206 16.594 14.449 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -1.041 17.048 14.559 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 0.318 16.870 15.201 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -4.537 22.102 11.903 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -3.792 22.100 11.302 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -4.459 21.278 12.385 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -7.529 20.563 17.218 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -7.306 20.145 18.050 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -8.131 19.950 16.796 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -2.051 28.305 8.429 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -3.001 28.410 8.481 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -1.700 29.125 8.774 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -0.382 25.572 2.421 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -0.143 24.824 1.873 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -0.651 25.184 3.253 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -1.445 25.142 4.877 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -1.298 24.622 5.667 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -1.448 26.049 5.183 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -4.992 22.395 5.387 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -5.678 22.747 5.954 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -4.469 23.158 5.141 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -1.369 27.883 5.608 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -1.208 28.683 5.107 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -1.566 28.190 6.493 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -6.060 17.673 3.400 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -6.105 18.612 3.579 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -6.948 17.437 3.130 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -5.252 12.455 12.073 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -5.481 12.514 11.146 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -5.695 11.663 12.380 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -6.322 26.395 8.234 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -7.154 26.868 8.261 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.776 26.905 7.635 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -7.126 22.818 20.518 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -6.982 21.916 20.232 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -7.899 23.104 20.030 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -6.294 20.018 19.938 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -5.886 19.161 19.817 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -6.554 20.033 20.859 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -1.636 21.134 4.956 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -2.095 20.650 5.642 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -1.381 20.466 4.320 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -0.565 19.377 3.219 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -0.745 19.223 2.291 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 0.386 19.485 3.263 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -2.007 16.382 18.395 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -1.857 15.653 17.792 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -2.005 17.159 17.836 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -1.595 14.752 15.887 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -1.059 15.203 15.235 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -2.447 14.644 15.465 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -3.529 17.580 20.306 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -4.296 17.048 20.096 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -2.850 17.270 19.707 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 0.475 16.530 19.882 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 0.239 16.310 20.784 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -0.308 16.323 19.373 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -5.348 15.501 20.011 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -5.137 14.794 19.400 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -5.460 15.063 20.855 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -0.567 11.502 18.990 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 0.145 10.862 18.976 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -0.668 11.769 18.076 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -0.214 13.185 21.044 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -0.345 12.709 20.223 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -0.813 13.929 20.988 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -0.667 30.068 4.220 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 0.266 30.226 4.364 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -0.931 30.743 3.595 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -8.450 30.097 8.780 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -9.097 29.635 8.247 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -8.095 29.425 9.363 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -7.580 28.178 10.585 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -7.914 27.297 10.757 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -7.358 28.523 11.449 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -7.500 21.253 13.036 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -7.316 21.171 12.101 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -6.651 21.129 13.460 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -8.064 14.093 7.192 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -8.989 14.302 7.062 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -7.610 14.577 6.502 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -5.624 12.338 9.367 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -6.401 12.104 8.859 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -5.093 11.541 9.375 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -6.787 12.136 5.170 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -6.348 12.747 4.579 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -7.421 12.674 5.644 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -6.886 28.084 6.068 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -7.571 28.046 5.400 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -6.883 28.997 6.356 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -4.926 14.052 3.613 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -4.435 13.422 3.085 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -4.303 14.348 4.276 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 4.729 11.535 20.602 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 4.805 11.109 21.456 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 5.622 11.549 20.260 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 8.151 11.860 24.083 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 7.252 11.999 24.378 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 8.403 12.691 23.681 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -1.615 15.464 21.671 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -2.046 15.019 22.401 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -2.333 15.836 21.159 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -6.060 17.673 22.256 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -6.105 18.612 22.435 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -6.948 17.437 21.986 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -6.787 12.136 24.026 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -6.348 12.747 23.435 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -7.421 12.674 24.500 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -1.044 12.265 28.036 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -0.170 12.653 28.006 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -1.180 12.050 28.959 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 5.866 12.321 25.378 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 5.163 12.935 25.168 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 5.421 11.483 25.509 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.926 14.052 22.469 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -4.435 13.422 21.941 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.303 14.348 23.132 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -3.529 36.436 -17.406 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -4.296 35.904 -17.616 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -2.850 36.126 -18.005 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -5.348 34.357 -17.701 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -5.137 33.650 -18.312 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -5.460 33.919 -16.857 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -0.567 30.358 -18.722 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 0.145 29.718 -18.736 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -0.668 30.625 -19.636 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -0.214 32.041 -16.668 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -0.345 31.565 -17.489 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -0.813 32.785 -16.724 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -7.902 35.380 -18.535 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -6.983 35.258 -18.299 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -8.352 34.630 -18.146 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -5.666 31.708 -18.828 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -6.032 30.943 -18.385 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -4.753 31.737 -18.541 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -3.693 31.059 -17.292 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -2.794 30.785 -17.477 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -4.079 30.316 -16.828 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -5.244 39.220 -4.519 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -5.202 38.594 -3.795 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -4.541 39.843 -4.337 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -7.000 39.492 -8.465 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -6.786 38.722 -7.938 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -6.262 39.581 -9.068 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -2.927 34.533 -8.106 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -2.884 35.393 -8.524 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -3.385 33.981 -8.739 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -4.523 35.343 -6.079 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -3.910 35.976 -5.706 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -4.011 34.871 -6.736 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -0.091 30.757 -6.579 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.208 29.808 -6.633 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -0.946 31.089 -6.306 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -4.606 39.800 -1.665 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -4.536 40.451 -0.967 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -5.497 39.903 -2.000 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -3.783 39.504 -11.655 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -4.075 40.272 -12.146 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -4.457 38.844 -11.818 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -7.690 41.867 -2.840 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -8.191 41.839 -3.655 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -7.684 40.961 -2.530 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 1.841 31.382 -2.427 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 2.261 30.967 -1.674 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 0.908 31.204 -2.310 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -2.731 36.626 -4.706 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -3.373 36.585 -3.997 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -2.694 37.552 -4.944 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -2.734 36.847 -9.794 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -3.627 36.506 -9.853 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -2.283 36.470 -10.550 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -4.981 36.946 -2.839 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -5.019 37.346 -1.971 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -5.472 36.129 -2.749 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -1.615 34.320 -16.041 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -2.046 33.875 -15.311 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -2.333 34.692 -16.553 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -7.098 34.808 -13.565 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -6.624 35.399 -14.150 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -7.816 35.339 -13.218 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -0.152 34.274 -8.708 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -1.063 34.331 -8.419 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 0.353 34.214 -7.897 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -1.671 35.903 -12.225 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -0.739 36.032 -12.047 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -1.886 36.573 -12.874 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -2.997 37.098 -14.658 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -3.539 36.718 -15.349 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -2.163 37.292 -15.087 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -4.862 41.655 0.441 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -4.129 41.909 1.002 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -5.642 41.859 0.956 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -0.206 35.450 -4.407 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -1.041 35.904 -4.297 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 0.318 35.726 -3.655 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -7.529 39.419 -1.638 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -7.306 39.001 -0.806 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -8.131 38.806 -2.060 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 1.708 32.374 -10.320 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 1.361 32.992 -9.675 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 2.366 32.875 -10.801 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -2.635 33.437 -13.632 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -2.718 34.326 -13.286 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -1.745 33.172 -13.401 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -6.060 36.529 -15.456 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -6.105 37.468 -15.277 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -6.948 36.293 -15.726 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -7.126 41.674 1.662 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -6.982 40.772 1.376 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -7.899 41.960 1.174 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -6.294 38.874 1.082 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -5.886 38.017 0.961 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -6.554 38.889 2.003 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -2.347 37.883 -1.544 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -2.965 38.558 -1.263 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -2.003 38.204 -2.377 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -2.007 35.238 -0.461 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -1.857 34.509 -1.064 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -2.005 36.015 -1.020 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -1.595 33.608 -2.969 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -1.059 34.059 -3.621 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -2.447 33.500 -3.391 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -3.529 36.436 1.450 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -4.296 35.904 1.240 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -2.850 36.126 0.851 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -0.789 31.064 -2.537 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -0.887 32.011 -2.643 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -1.532 30.692 -3.013 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -5.348 34.357 1.155 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -5.137 33.650 0.544 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -5.460 33.919 1.999 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -0.567 30.358 0.134 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 0.145 29.718 0.120 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -0.668 30.625 -0.780 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -0.214 32.041 2.188 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -0.345 31.565 1.367 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -0.813 32.785 2.132 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -7.500 40.109 -5.820 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -7.316 40.027 -6.755 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -6.651 39.985 -5.396 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 2.050 32.560 -7.311 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 1.375 31.931 -7.056 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 2.614 32.076 -7.914 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -1.044 31.121 -9.676 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -0.170 31.509 -9.706 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -1.180 30.906 -8.753 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 0.100 33.201 -12.786 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 0.278 32.555 -12.103 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 0.046 34.035 -12.319 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -7.710 37.330 8.265 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -8.158 38.176 8.247 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -8.271 36.750 7.750 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -1.615 34.320 2.815 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -2.046 33.875 3.545 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -2.333 34.692 2.303 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -8.373 34.062 9.867 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -7.742 34.033 10.587 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -7.923 33.637 9.137 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -7.098 34.808 5.291 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -6.624 35.399 4.706 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -7.816 35.339 5.638 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -3.830 33.198 8.453 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -4.147 32.296 8.418 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -3.049 33.200 7.901 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -6.407 39.338 3.895 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -5.791 39.965 4.274 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -7.269 39.654 4.166 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -2.635 33.437 5.224 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -2.718 34.326 5.570 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -1.745 33.172 5.455 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -6.060 36.529 3.400 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -6.105 37.468 3.579 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -6.948 36.293 3.130 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -7.099 43.560 3.703 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -6.185 43.639 3.976 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -7.092 42.873 3.036 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -8.064 32.949 7.192 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -8.989 33.158 7.062 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -7.610 33.433 6.502 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -5.624 31.194 9.367 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -6.401 30.960 8.859 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -5.093 30.397 9.375 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -4.926 32.908 3.613 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -4.435 32.278 3.085 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -4.303 33.204 4.276 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 15.569 -10.894 18.726 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 15.577 -11.030 17.778 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 14.653 -11.012 18.978 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 11.823 -8.704 19.564 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 12.363 -8.921 20.323 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 11.342 -9.510 19.374 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 16.420 -9.785 21.184 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 17.188 -10.244 21.525 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 16.399 -10.011 20.254 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 12.948 -11.706 19.680 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 12.127 -11.531 19.220 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 12.696 -11.779 20.601 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 20.213 -9.332 18.898 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 20.398 -9.666 19.776 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 21.060 -9.023 18.576 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 13.304 -7.475 15.986 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 12.584 -7.035 15.535 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 12.938 -7.726 16.835 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 14.536 -12.898 31.728 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 14.166 -13.700 31.359 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 15.477 -13.067 31.775 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 22.774 -20.136 32.334 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 22.917 -21.083 32.354 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 22.668 -19.929 31.405 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 17.705 -18.088 29.584 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 18.321 -18.614 30.093 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 17.119 -18.728 29.180 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 28.688 -21.451 35.103 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 27.999 -20.793 35.008 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 28.703 -21.648 36.040 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 17.308 -15.441 33.968 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 16.568 -14.843 34.071 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 18.022 -14.887 33.652 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 25.415 -22.613 29.988 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 25.200 -23.379 30.520 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 26.071 -22.141 30.501 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 15.716 -13.477 34.755 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 15.710 -12.598 34.377 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 14.862 -13.560 35.180 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 11.837 -13.806 25.537 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 11.565 -13.577 24.648 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 11.882 -12.968 25.997 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 26.559 -13.936 35.861 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 26.699 -14.527 35.122 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 26.727 -13.063 35.505 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 21.032 -16.974 25.633 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 20.320 -16.439 25.282 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 21.723 -16.918 24.973 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 28.401 -17.596 33.927 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 27.749 -16.901 34.016 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 28.866 -17.386 33.117 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 24.438 -16.764 26.585 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 23.706 -16.536 27.158 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 24.885 -17.478 27.040 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 24.335 -18.590 35.653 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 24.415 -17.827 36.225 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 23.734 -18.311 34.962 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 16.083 -16.134 28.468 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 15.753 -16.504 27.649 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 16.671 -16.804 28.814 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 16.450 -17.365 32.101 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 17.015 -17.244 31.338 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 16.769 -16.728 32.740 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 17.330 -12.966 36.818 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 17.018 -12.184 37.274 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 16.680 -13.119 36.132 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 23.309 -17.602 24.270 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 23.888 -17.452 25.017 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 23.723 -17.131 23.547 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 15.569 -10.894 37.582 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 15.577 -11.030 36.634 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 14.653 -11.012 37.834 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 10.917 -11.921 31.756 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 11.863 -12.065 31.737 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 10.804 -11.137 32.293 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 29.114 -11.255 37.438 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 29.065 -12.210 37.401 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 28.288 -10.987 37.840 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 20.093 -11.681 36.314 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 20.180 -10.855 36.789 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 19.229 -12.011 36.563 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 23.609 -8.755 23.123 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 23.984 -9.499 22.652 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 23.613 -9.025 24.041 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 23.278 -8.829 25.872 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 22.343 -8.729 26.051 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 23.558 -9.538 26.450 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 21.658 -19.305 26.735 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 21.249 -18.490 26.443 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 22.378 -19.445 26.120 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 22.662 -19.859 29.549 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 22.467 -19.254 28.834 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 22.844 -20.693 29.114 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 21.926 -18.221 34.220 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 22.250 -18.852 33.577 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 21.486 -18.756 34.881 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 20.024 -19.506 30.891 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 20.588 -20.053 30.344 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 19.876 -20.028 31.680 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 19.194 -14.905 24.990 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 18.450 -15.412 24.667 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 19.060 -14.856 25.936 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 20.714 -14.721 36.227 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 20.368 -15.102 37.033 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 20.514 -13.787 36.298 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 14.319 -15.610 30.759 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 15.064 -15.612 30.158 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 14.397 -16.434 31.241 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 21.320 -13.446 24.015 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 21.025 -12.620 24.397 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 20.617 -14.066 24.211 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 28.659 -14.214 37.381 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 27.807 -13.976 37.014 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 29.249 -14.231 36.628 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 26.991 -11.228 25.009 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 26.618 -12.054 25.319 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 27.268 -11.411 24.112 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 18.121 -14.429 27.740 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 17.880 -13.504 27.782 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 17.381 -14.888 28.136 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 24.383 -13.252 22.830 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 24.736 -13.632 23.634 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 23.434 -13.345 22.916 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 24.839 -9.629 36.225 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 24.237 -10.184 35.730 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 25.120 -8.962 35.599 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 25.249 -14.579 25.056 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 24.972 -15.307 25.612 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 26.176 -14.460 25.262 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 12.612 -10.591 34.067 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 12.829 -11.523 34.036 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 12.859 -10.317 34.951 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 18.474 -12.140 21.277 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 18.713 -12.888 20.729 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 18.205 -12.528 22.109 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 17.411 -12.570 23.733 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 17.558 -13.090 24.523 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 17.408 -11.663 24.039 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 13.864 -15.317 24.243 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 13.178 -14.965 24.810 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 14.387 -14.554 23.997 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 14.480 -12.703 23.140 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 15.072 -12.004 23.416 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 14.939 -13.136 22.421 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 20.512 -10.277 21.415 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 19.868 -10.908 21.737 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 21.274 -10.808 21.183 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 22.997 -11.405 38.769 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 22.646 -12.261 39.012 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 23.723 -11.262 39.376 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 18.385 -14.924 38.807 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 18.057 -14.653 37.949 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 18.537 -15.865 38.719 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 24.120 -15.008 36.190 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 24.865 -14.420 36.070 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 23.363 -14.426 36.253 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 18.843 -17.521 34.983 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 19.594 -17.677 34.410 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 18.504 -16.669 34.707 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 24.575 -16.917 38.089 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 24.294 -16.208 37.511 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 25.518 -16.990 37.938 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 11.757 -13.008 22.559 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 12.671 -12.929 22.832 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 11.764 -13.695 21.892 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 28.825 -8.725 32.421 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 28.803 -8.540 33.360 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 29.515 -8.156 32.080 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 28.388 -9.158 35.343 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 27.901 -9.893 34.972 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 28.937 -9.551 36.021 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 28.140 -15.111 25.495 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 28.990 -14.690 25.623 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 28.145 -15.851 26.103 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 28.534 -17.058 27.319 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 27.808 -17.537 27.717 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 29.115 -16.852 28.051 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 26.780 -11.395 34.574 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 26.132 -11.070 35.199 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 26.262 -11.835 33.899 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 26.321 -18.537 27.882 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 26.171 -19.482 27.862 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 25.967 -18.256 28.726 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 27.177 -16.567 37.521 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 27.760 -17.301 37.712 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 27.741 -15.795 37.567 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 26.031 -20.954 26.344 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 26.311 -21.861 26.469 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 26.790 -20.520 25.955 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 26.643 -20.373 31.780 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 27.576 -20.161 31.746 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 26.408 -20.271 32.703 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 26.672 -19.636 34.556 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 25.829 -19.368 34.922 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 27.115 -18.814 34.345 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 25.563 -8.635 27.993 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 26.216 -8.982 27.385 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 26.074 -8.146 28.639 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 15.902 -10.731 34.795 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 15.477 -9.922 34.512 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 16.807 -10.646 34.493 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 20.213 -9.332 37.754 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 20.398 -9.666 38.632 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 21.060 -9.023 37.432 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 22.558 -8.047 36.998 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 23.235 -8.679 36.758 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 22.880 -7.645 37.806 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 13.304 -7.475 34.842 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 12.584 -7.035 34.391 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 12.938 -7.726 35.691 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 15.771 -7.875 33.872 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 14.906 -7.803 34.276 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 15.716 -7.328 33.088 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 25.414 -7.539 34.288 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 25.232 -6.623 34.077 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 25.590 -7.949 33.441 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 20.834 -8.418 23.321 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 21.700 -8.052 23.143 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 20.587 -8.858 22.508 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 27.543 -8.855 26.001 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 27.349 -9.603 25.436 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 27.504 -8.097 25.417 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 26.761 -10.104 38.151 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 25.979 -10.290 37.631 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 26.689 -9.175 38.368 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 20.760 -0.274 19.367 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 20.197 -0.978 19.687 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 21.586 -0.394 19.834 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 13.994 3.943 19.297 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 14.727 4.197 19.858 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 13.214 4.147 19.812 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 11.327 1.707 17.218 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 11.550 1.289 18.050 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 10.725 1.094 16.796 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 12.961 -3.540 16.776 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 12.068 -3.201 16.709 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 12.862 -4.395 17.194 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 11.730 3.962 20.518 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 11.874 3.060 20.232 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 10.957 4.248 20.030 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 12.562 1.162 19.938 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 12.970 0.305 19.817 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 12.302 1.177 20.859 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 16.849 -2.474 18.395 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 16.999 -3.203 17.792 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 16.851 -1.697 17.836 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 23.259 -0.850 21.155 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 23.451 -1.781 21.044 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 24.116 -0.425 21.145 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 15.327 -1.276 20.306 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 14.560 -1.808 20.096 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 16.006 -1.586 19.707 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 19.331 -2.326 19.882 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 19.095 -2.546 20.784 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 18.548 -2.533 19.373 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 22.047 -3.199 18.958 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 21.099 -3.167 19.090 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 22.359 -3.824 19.612 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 23.681 -4.565 20.963 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 23.584 -5.517 20.957 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 23.359 -4.296 21.824 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 13.508 -3.355 20.011 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 13.719 -4.062 19.400 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 13.396 -3.793 20.855 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 18.289 -7.354 18.990 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 19.001 -7.994 18.976 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 18.188 -7.087 18.076 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 10.954 -2.332 19.177 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 11.873 -2.454 19.413 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 10.504 -3.082 19.566 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 10.756 -6.025 15.536 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 10.091 -6.271 16.179 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 10.313 -5.403 14.959 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 13.190 -6.004 18.884 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 12.824 -6.769 19.327 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 14.103 -5.975 19.171 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 23.585 -7.321 20.602 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 23.661 -7.747 21.456 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 24.478 -7.307 20.260 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 13.612 1.508 33.193 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 13.654 0.882 33.917 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 14.315 2.131 33.375 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 23.651 -3.048 28.007 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 24.297 -3.377 28.632 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 24.161 -2.530 27.384 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 17.705 0.768 29.584 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 18.321 0.242 30.093 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 17.119 0.128 29.180 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 14.739 -4.261 33.680 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 14.520 -3.731 32.914 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 14.071 -4.034 34.328 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 25.415 -3.757 29.988 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 25.200 -4.523 30.520 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 26.071 -3.285 30.501 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 11.837 5.050 25.537 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 11.565 5.279 24.648 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 11.882 5.888 25.997 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 25.762 -5.042 33.667 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 25.026 -4.431 33.629 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 26.446 -4.627 33.141 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 21.032 1.882 25.633 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 20.320 2.417 25.282 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 21.723 1.938 24.973 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 21.086 0.340 22.672 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 21.787 0.362 23.323 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 21.388 -0.288 22.016 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 16.083 2.722 28.468 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 15.753 2.352 27.649 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 16.671 2.052 28.814 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 16.450 1.491 32.101 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 17.015 1.612 31.338 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 16.769 2.128 32.740 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 23.309 1.254 24.270 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 23.888 1.404 25.017 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 23.723 1.725 23.547 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 15.073 1.792 26.057 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 14.781 2.560 25.566 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 14.399 1.132 25.894 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 20.697 -6.330 35.285 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 21.117 -6.745 36.038 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 19.764 -6.508 35.402 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 16.125 -1.086 33.006 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 15.483 -1.127 33.715 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 16.162 -0.160 32.768 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 21.658 -0.449 26.735 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 21.249 0.366 26.443 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 22.378 -0.589 26.120 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 22.662 -1.003 29.549 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 22.467 -0.398 28.834 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 22.844 -1.837 29.114 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 13.875 -0.766 34.873 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 13.837 -0.366 35.741 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 13.384 -1.583 34.963 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 18.704 -3.438 29.004 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 17.793 -3.381 29.293 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 19.209 -3.498 29.815 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 23.109 -4.203 32.268 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 22.432 -4.072 32.932 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 22.623 -4.358 31.458 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 15.859 -0.614 23.054 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 15.317 -0.994 22.363 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 16.693 -0.420 22.625 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 20.024 -0.650 30.891 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 20.588 -1.197 30.344 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 19.876 -1.172 31.680 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 18.650 -2.262 33.305 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 17.815 -1.808 33.415 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 19.174 -1.986 34.057 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 23.092 -3.235 23.189 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 22.154 -3.123 23.038 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 23.389 -2.378 23.495 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 23.810 -1.368 24.850 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 24.702 -1.505 25.169 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 23.867 -0.577 24.313 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 14.319 3.246 30.759 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 15.064 3.244 30.158 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 14.397 2.422 31.241 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 12.449 1.626 22.751 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 13.065 2.253 23.130 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 11.587 1.942 23.022 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 12.961 -3.540 35.632 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 12.068 -3.201 35.565 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 12.862 -4.395 36.050 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 13.864 3.539 24.243 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 13.178 3.891 24.810 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 14.387 4.302 23.997 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 21.696 -3.799 34.522 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 22.394 -3.725 35.172 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 21.315 -4.663 34.677 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 22.480 -4.147 25.619 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 22.700 -3.675 24.816 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 23.038 -3.752 26.290 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 12.534 7.539 27.090 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 11.702 8.012 27.117 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 13.080 8.049 26.491 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 17.220 2.278 23.812 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 16.761 1.794 24.498 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 17.475 1.610 23.176 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 18.291 0.521 22.075 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 18.111 0.367 21.147 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 19.242 0.629 22.119 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 17.261 -4.104 34.743 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 17.797 -3.653 34.091 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 16.409 -4.212 34.321 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 18.067 -6.648 35.175 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 17.969 -5.701 35.069 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 17.324 -7.020 34.699 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 11.757 5.848 22.559 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 12.671 5.927 22.832 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 11.764 5.161 21.892 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 11.356 2.397 31.892 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 11.540 2.315 30.957 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 12.205 2.273 32.316 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 10.954 -2.332 38.033 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 11.873 -2.454 38.269 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 10.504 -3.082 38.422 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 10.756 -6.025 34.392 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 10.091 -6.271 35.035 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 10.313 -5.403 33.815 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 27.476 -6.601 36.078 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 26.663 -6.276 35.690 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 27.709 -7.361 35.545 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 26.048 -7.045 30.513 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 26.652 -6.497 30.012 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 25.179 -6.725 30.273 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 23.369 -6.561 29.685 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 23.445 -6.466 28.736 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 23.093 -7.469 29.814 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 24.722 -6.535 25.378 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 24.019 -5.921 25.168 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 24.277 -7.373 25.509 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 13.190 -6.004 37.740 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 12.824 -6.769 38.183 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 14.103 -5.975 38.027 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 32.468 -17.348 33.193 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 32.510 -17.974 33.917 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 33.171 -16.725 33.375 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 33.392 -12.898 31.728 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 33.022 -13.700 31.359 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 34.333 -13.067 31.775 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 30.002 -19.238 27.121 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 29.554 -18.392 27.103 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 29.441 -19.818 26.606 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 30.712 -17.076 29.247 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 30.926 -17.846 29.774 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 31.450 -16.987 28.644 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 31.405 -19.638 30.368 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 32.059 -20.188 30.800 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 31.429 -19.912 29.452 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 30.693 -13.806 25.537 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 30.421 -13.577 24.648 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 30.738 -12.968 25.997 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 30.022 -14.701 34.872 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 29.521 -14.729 34.057 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 30.028 -15.607 35.182 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 29.773 -11.921 31.756 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 30.719 -12.065 31.737 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 29.660 -11.137 32.293 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 32.271 -13.378 35.915 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 32.488 -13.739 36.775 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 31.416 -13.752 35.705 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 33.175 -15.610 30.759 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 33.920 -15.612 30.158 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 33.253 -16.434 31.241 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 30.183 -17.149 36.074 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 30.406 -17.567 36.906 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 29.581 -17.762 35.652 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 31.468 -10.591 34.067 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 31.685 -11.523 34.036 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 31.715 -10.317 34.951 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 31.390 -11.317 27.090 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 30.558 -10.844 27.117 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 31.936 -10.807 26.491 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 29.262 -7.615 27.636 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 28.615 -8.077 27.103 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 29.617 -8.287 28.219 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 30.132 -9.534 29.441 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 29.798 -10.415 29.613 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 30.354 -9.189 30.305 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 29.335 -19.877 31.993 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 29.827 -20.098 31.203 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 29.697 -19.036 32.274 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 31.575 -8.852 31.753 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 31.556 -9.277 32.610 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 32.380 -9.170 31.344 0.00 0.00 WAT1 END