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 13:35:16 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -15.202 -19.158 27.518 1.00 61.04 ATOM 2 CB MET 1 -15.649 -19.143 29.611 1.00 24.33 ATOM 3 HB1 MET 1 -15.690 -18.063 29.693 1.00 36.16 ATOM 4 HB2 MET 1 -15.215 -19.544 30.517 1.00 33.12 ATOM 5 CG MET 1 -17.068 -19.676 29.499 1.00 41.15 ATOM 6 HG1 MET 1 -17.559 -19.531 30.450 1.00 36.16 ATOM 7 HG2 MET 1 -17.046 -20.730 29.274 1.00 1.11 ATOM 8 SD MET 1 -18.030 -18.827 28.231 1.00 25.32 ATOM 9 CE MET 1 -19.654 -19.527 28.514 1.00 40.04 ATOM 10 HE1 MET 1 -19.613 -20.598 28.380 1.00 24.53 ATOM 11 HE2 MET 1 -20.356 -19.103 27.811 1.00 11.43 ATOM 12 HE3 MET 1 -19.973 -19.302 29.521 1.00 52.33 ATOM 13 C MET 1 -13.376 -18.897 28.594 1.00 33.12 ATOM 14 O MET 1 -12.831 -18.850 29.696 1.00 33.21 ATOM 15 N MET 1 -14.654 -20.979 28.324 1.00 25.12 ATOM 16 HT1 MET 1 -13.952 -21.240 27.598 1.00 36.16 ATOM 17 HT2 MET 1 -15.566 -21.390 28.043 1.00 36.16 ATOM 18 HT3 MET 1 -14.359 -21.399 29.232 1.00 36.16 ATOM 19 CA MET 1 -14.755 -19.528 28.430 1.00 33.25 ATOM 20 N GLY 2 -12.817 -18.413 27.489 1.00 2.44 ATOM 21 HN GLY 2 -13.295 -18.486 26.628 1.00 36.16 ATOM 22 CA GLY 2 -11.506 -17.791 27.533 1.00 71.42 ATOM 23 HA1 GLY 2 -10.759 -18.569 27.595 1.00 36.16 ATOM 24 HA2 GLY 2 -11.431 -17.170 28.420 1.00 5.21 ATOM 25 C GLY 2 -11.224 -16.947 26.306 1.00 62.01 ATOM 26 O GLY 2 -11.242 -17.448 25.181 1.00 2.20 ATOM 27 N HIS 3 -10.964 -15.661 26.521 1.00 23.33 ATOM 28 HN HIS 3 -10.977 -15.308 27.442 1.00 36.16 ATOM 29 CA HIS 3 -10.678 -14.745 25.423 1.00 5.12 ATOM 30 HA HIS 3 -10.324 -15.318 24.572 1.00 33.45 ATOM 31 CB HIS 3 -11.946 -13.998 25.011 1.00 52.14 ATOM 32 HB1 HIS 3 -11.730 -13.376 24.153 1.00 36.16 ATOM 33 HB2 HIS 3 -12.276 -13.373 25.829 1.00 54.04 ATOM 34 CG HIS 3 -13.082 -14.903 24.646 1.00 73.12 ATOM 35 ND1 HIS 3 -14.059 -15.284 25.542 1.00 43.11 ATOM 36 HD1 HIS 3 -14.111 -15.012 26.482 1.00 41.22 ATOM 37 CD2 HIS 3 -13.396 -15.502 23.473 1.00 25.32 ATOM 38 HD2 HIS 3 -12.846 -15.423 22.546 1.00 72.02 ATOM 39 CE1 HIS 3 -14.922 -16.080 24.937 1.00 54.42 ATOM 40 HE1 HIS 3 -15.791 -16.532 25.392 1.00 52.20 ATOM 41 NE2 HIS 3 -14.543 -16.228 23.680 1.00 1.33 ATOM 42 HE2 HIS 3 -14.951 -16.844 23.036 1.00 36.16 ATOM 43 C HIS 3 -9.591 -13.748 25.816 1.00 33.34 ATOM 44 O HIS 3 -9.543 -13.285 26.956 1.00 3.14 ATOM 45 N HIS 4 -8.721 -13.423 24.866 1.00 60.02 ATOM 46 HN HIS 4 -8.826 -13.820 23.969 1.00 36.16 ATOM 47 CA HIS 4 -7.635 -12.481 25.113 1.00 21.32 ATOM 48 HA HIS 4 -6.972 -12.920 25.845 1.00 30.24 ATOM 49 CB HIS 4 -6.850 -12.226 23.826 1.00 12.41 ATOM 50 HB1 HIS 4 -6.000 -11.596 24.049 1.00 36.16 ATOM 51 HB2 HIS 4 -7.487 -11.720 23.112 1.00 64.35 ATOM 52 CG HIS 4 -6.336 -13.475 23.180 1.00 75.14 ATOM 53 ND1 HIS 4 -5.340 -14.252 23.730 1.00 24.45 ATOM 54 HD1 HIS 4 -4.876 -14.074 24.575 1.00 61.32 ATOM 55 CD2 HIS 4 -6.689 -14.082 22.022 1.00 23.33 ATOM 56 HD2 HIS 4 -7.446 -13.747 21.327 1.00 13.43 ATOM 57 CE1 HIS 4 -5.100 -15.283 22.939 1.00 5.41 ATOM 58 HE1 HIS 4 -4.371 -16.060 23.116 1.00 75.41 ATOM 59 NE2 HIS 4 -5.905 -15.203 21.896 1.00 74.04 ATOM 60 HE2 HIS 4 -5.997 -15.887 21.200 1.00 36.16 ATOM 61 C HIS 4 -8.173 -11.165 25.665 1.00 2.42 ATOM 62 O HIS 4 -9.384 -10.948 25.712 1.00 32.04 ATOM 63 N HIS 5 -7.265 -10.288 26.082 1.00 24.24 ATOM 64 HN HIS 5 -6.307 -10.522 26.031 1.00 36.16 ATOM 65 CA HIS 5 -7.648 -8.992 26.632 1.00 71.55 ATOM 66 HA HIS 5 -8.517 -8.637 26.084 1.00 54.12 ATOM 67 CB HIS 5 -8.012 -9.129 28.110 1.00 24.04 ATOM 68 HB1 HIS 5 -7.112 -9.251 28.699 1.00 36.16 ATOM 69 HB2 HIS 5 -8.634 -10.004 28.238 1.00 61.34 ATOM 70 CG HIS 5 -8.766 -7.954 28.653 1.00 71.34 ATOM 71 ND1 HIS 5 -8.148 -6.819 29.132 1.00 3.11 ATOM 72 HD1 HIS 5 -7.181 -6.666 29.168 1.00 62.20 ATOM 73 CD2 HIS 5 -10.096 -7.742 28.788 1.00 30.31 ATOM 74 HD2 HIS 5 -10.886 -8.426 28.511 1.00 34.31 ATOM 75 CE1 HIS 5 -9.065 -5.960 29.541 1.00 64.14 ATOM 76 HE1 HIS 5 -8.874 -4.985 29.964 1.00 21.41 ATOM 77 NE2 HIS 5 -10.255 -6.496 29.342 1.00 33.14 ATOM 78 HE2 HIS 5 -11.105 -6.109 29.638 1.00 36.16 ATOM 79 C HIS 5 -6.522 -7.977 26.464 1.00 52.41 ATOM 80 O HIS 5 -5.343 -8.325 26.528 1.00 61.45 ATOM 81 N HIS 6 -6.894 -6.719 26.249 1.00 42.43 ATOM 82 HN HIS 6 -7.855 -6.500 26.193 1.00 36.16 ATOM 83 CA HIS 6 -5.915 -5.652 26.072 1.00 42.13 ATOM 84 HA HIS 6 -5.024 -5.899 26.640 1.00 20.12 ATOM 85 CB HIS 6 -5.539 -5.516 24.596 1.00 43.10 ATOM 86 HB1 HIS 6 -4.897 -4.654 24.464 1.00 36.16 ATOM 87 HB2 HIS 6 -6.438 -5.380 24.014 1.00 3.13 ATOM 88 CG HIS 6 -4.815 -6.708 24.050 1.00 22.11 ATOM 89 ND1 HIS 6 -3.442 -6.769 23.939 1.00 42.15 ATOM 90 HD1 HIS 6 -2.815 -6.061 24.197 1.00 50.03 ATOM 91 CD2 HIS 6 -5.281 -7.891 23.585 1.00 53.52 ATOM 92 HD2 HIS 6 -6.317 -8.193 23.526 1.00 64.50 ATOM 93 CE1 HIS 6 -3.095 -7.936 23.427 1.00 71.34 ATOM 94 HE1 HIS 6 -2.085 -8.263 23.227 1.00 12.02 ATOM 95 NE2 HIS 6 -4.193 -8.636 23.203 1.00 0.04 ATOM 96 HE2 HIS 6 -4.228 -9.498 22.738 1.00 36.16 ATOM 97 C HIS 6 -6.456 -4.325 26.595 1.00 35.11 ATOM 98 O HIS 6 -7.669 -4.115 26.648 1.00 22.33 ATOM 99 N HIS 7 -5.550 -3.433 26.981 1.00 13.54 ATOM 100 HN HIS 7 -4.591 -3.649 26.915 1.00 36.16 ATOM 101 CA HIS 7 -5.937 -2.126 27.501 1.00 14.21 ATOM 102 HA HIS 7 -7.019 -2.065 27.523 1.00 42.53 ATOM 103 CB HIS 7 -5.401 -1.939 28.921 1.00 52.33 ATOM 104 HB1 HIS 7 -4.338 -1.734 28.889 1.00 36.16 ATOM 105 HB2 HIS 7 -5.565 -2.849 29.480 1.00 74.04 ATOM 106 CG HIS 7 -6.067 -0.826 29.671 1.00 62.14 ATOM 107 ND1 HIS 7 -5.513 -0.233 30.785 1.00 3.31 ATOM 108 HD1 HIS 7 -4.653 -0.469 31.192 1.00 64.50 ATOM 109 CD2 HIS 7 -7.247 -0.198 29.459 1.00 1.22 ATOM 110 HD2 HIS 7 -7.950 -0.406 28.665 1.00 4.41 ATOM 111 CE1 HIS 7 -6.324 0.711 31.228 1.00 41.32 ATOM 112 HE1 HIS 7 -6.150 1.342 32.087 1.00 42.23 ATOM 113 NE2 HIS 7 -7.384 0.753 30.440 1.00 5.14 ATOM 114 HE2 HIS 7 -8.184 1.297 30.598 1.00 36.16 ATOM 115 C HIS 7 -5.423 -1.008 26.599 1.00 60.11 ATOM 116 O HIS 7 -5.031 0.057 27.075 1.00 4.45 ATOM 117 N HIS 8 -5.427 -1.259 25.293 1.00 2.24 ATOM 118 HN HIS 8 -5.782 -2.116 24.960 1.00 36.16 ATOM 119 CA HIS 8 -4.960 -0.274 24.324 1.00 12.54 ATOM 120 HA HIS 8 -4.133 0.274 24.769 1.00 22.32 ATOM 121 CB HIS 8 -4.464 -0.969 23.057 1.00 61.34 ATOM 122 HB1 HIS 8 -5.299 -1.258 22.432 1.00 36.16 ATOM 123 HB2 HIS 8 -3.920 -1.860 23.340 1.00 74.34 ATOM 124 CG HIS 8 -3.536 -0.128 22.236 1.00 42.12 ATOM 125 ND1 HIS 8 -3.449 1.242 22.365 1.00 10.22 ATOM 126 HD1 HIS 8 -3.951 1.801 22.987 1.00 4.44 ATOM 127 CD2 HIS 8 -2.649 -0.470 21.272 1.00 75.13 ATOM 128 HD2 HIS 8 -2.449 -1.469 20.910 1.00 0.45 ATOM 129 CE1 HIS 8 -2.551 1.707 21.515 1.00 62.50 ATOM 130 HE1 HIS 8 -2.273 2.743 21.394 1.00 51.44 ATOM 131 NE2 HIS 8 -2.050 0.688 20.840 1.00 74.43 ATOM 132 HE2 HIS 8 -1.433 0.761 20.082 1.00 36.16 ATOM 133 C HIS 8 -6.070 0.714 23.976 1.00 72.42 ATOM 134 O HIS 8 -6.767 0.551 22.974 1.00 22.11 ATOM 135 N SER 9 -6.229 1.736 24.810 1.00 53.43 ATOM 136 HN SER 9 -5.649 1.810 25.605 1.00 36.16 ATOM 137 CA SER 9 -7.258 2.747 24.592 1.00 4.21 ATOM 138 HA SER 9 -7.539 2.739 23.544 1.00 4.55 ATOM 139 CB SER 9 -8.500 2.429 25.426 1.00 73.43 ATOM 140 HB1 SER 9 -8.306 2.629 26.472 1.00 36.16 ATOM 141 HB2 SER 9 -8.751 1.385 25.304 1.00 1.14 ATOM 142 OG SER 9 -9.608 3.208 25.008 1.00 22.14 ATOM 143 HG SER 9 -10.367 3.007 25.560 1.00 73.54 ATOM 144 C SER 9 -6.737 4.137 24.946 1.00 63.13 ATOM 145 O SER 9 -6.274 4.374 26.062 1.00 63.40 ATOM 146 N HIS 10 -6.816 5.053 23.986 1.00 2.52 ATOM 147 HN HIS 10 -7.183 4.807 23.104 1.00 36.16 ATOM 148 CA HIS 10 -6.353 6.421 24.195 1.00 31.11 ATOM 149 HA HIS 10 -6.348 6.625 25.260 1.00 24.42 ATOM 150 CB HIS 10 -4.938 6.593 23.642 1.00 53.23 ATOM 151 HB1 HIS 10 -4.778 7.626 23.355 1.00 36.16 ATOM 152 HB2 HIS 10 -4.815 5.967 22.769 1.00 41.41 ATOM 153 CG HIS 10 -3.864 6.235 24.622 1.00 70.31 ATOM 154 ND1 HIS 10 -3.898 6.613 25.947 1.00 1.14 ATOM 155 HD1 HIS 10 -4.599 7.147 26.374 1.00 65.30 ATOM 156 CD2 HIS 10 -2.721 5.526 24.463 1.00 15.45 ATOM 157 HD2 HIS 10 -2.370 5.072 23.547 1.00 32.15 ATOM 158 CE1 HIS 10 -2.822 6.155 26.562 1.00 61.45 ATOM 159 HE1 HIS 10 -2.581 6.298 27.605 1.00 21.11 ATOM 160 NE2 HIS 10 -2.092 5.491 25.683 1.00 2.23 ATOM 161 HE2 HIS 10 -1.200 5.122 25.853 1.00 36.16 ATOM 162 C HIS 10 -7.296 7.421 23.533 1.00 73.31 ATOM 163 O HIS 10 -7.322 7.547 22.309 1.00 34.11 ATOM 164 N MET 11 -8.070 8.128 24.350 1.00 4.11 ATOM 165 HN MET 11 -7.999 7.995 25.325 1.00 36.16 ATOM 166 CA MET 11 -9.014 9.117 23.843 1.00 61.12 ATOM 167 HA MET 11 -9.276 8.852 22.822 1.00 31.42 ATOM 168 CB MET 11 -10.290 9.115 24.687 1.00 2.21 ATOM 169 HB1 MET 11 -10.133 9.689 25.592 1.00 36.16 ATOM 170 HB2 MET 11 -10.517 8.094 24.964 1.00 32.43 ATOM 171 CG MET 11 -11.502 9.671 23.958 1.00 60.05 ATOM 172 HG1 MET 11 -11.745 9.011 23.138 1.00 36.16 ATOM 173 HG2 MET 11 -11.259 10.650 23.571 1.00 42.24 ATOM 174 SD MET 11 -12.947 9.822 25.026 1.00 44.12 ATOM 175 CE MET 11 -12.491 11.246 26.012 1.00 22.13 ATOM 176 HE1 MET 11 -12.299 12.087 25.362 1.00 11.31 ATOM 177 HE2 MET 11 -11.602 11.020 26.581 1.00 45.10 ATOM 178 HE3 MET 11 -13.298 11.490 26.687 1.00 74.54 ATOM 179 C MET 11 -8.393 10.510 23.841 1.00 54.40 ATOM 180 O MET 11 -8.500 11.249 24.820 1.00 63.52 ATOM 181 N ALA 12 -7.745 10.863 22.736 1.00 53.24 ATOM 182 HN ALA 12 -7.678 10.227 21.985 1.00 36.16 ATOM 183 CA ALA 12 -7.110 12.169 22.607 1.00 64.54 ATOM 184 HA ALA 12 -7.485 12.830 23.379 1.00 60.11 ATOM 185 CB ALA 12 -5.605 12.044 22.795 1.00 61.41 ATOM 186 HB1 ALA 12 -5.191 11.422 22.014 1.00 62.41 ATOM 187 HB2 ALA 12 -5.401 11.595 23.756 1.00 51.04 ATOM 188 HB3 ALA 12 -5.150 13.024 22.755 1.00 64.54 ATOM 189 C ALA 12 -7.425 12.801 21.256 1.00 42.55 ATOM 190 O ALA 12 -6.623 13.562 20.712 1.00 34.02 ATOM 191 N LYS 13 -8.597 12.483 20.717 1.00 21.50 ATOM 192 HN LYS 13 -9.221 11.897 21.202 1.00 36.16 ATOM 193 CA LYS 13 -9.019 13.020 19.429 1.00 14.02 ATOM 194 HA LYS 13 -8.149 13.430 18.929 1.00 10.41 ATOM 195 CB LYS 13 -9.614 11.910 18.560 1.00 34.43 ATOM 196 HB1 LYS 13 -10.354 12.325 17.889 1.00 36.16 ATOM 197 HB2 LYS 13 -10.112 11.190 19.198 1.00 55.15 ATOM 198 CG LYS 13 -8.585 11.182 17.713 1.00 4.51 ATOM 199 HG1 LYS 13 -7.865 11.897 17.333 1.00 36.16 ATOM 200 HG2 LYS 13 -9.089 10.717 16.876 1.00 40.01 ATOM 201 CD LYS 13 -7.847 10.125 18.517 1.00 4.54 ATOM 202 HD1 LYS 13 -7.696 10.462 19.532 1.00 36.16 ATOM 203 HD2 LYS 13 -6.886 9.955 18.055 1.00 72.14 ATOM 204 CE LYS 13 -8.608 8.809 18.539 1.00 61.14 ATOM 205 HE1 LYS 13 -8.595 8.384 17.546 1.00 36.16 ATOM 206 HE2 LYS 13 -9.631 8.995 18.838 1.00 2.53 ATOM 207 NZ LYS 13 -8.005 7.835 19.490 1.00 21.21 ATOM 208 HZ1 LYS 13 -8.549 6.948 19.481 1.00 43.33 ATOM 209 HZ2 LYS 13 -8.013 8.220 20.457 1.00 14.53 ATOM 210 HZ3 LYS 13 -7.021 7.626 19.219 1.00 61.43 ATOM 211 C LYS 13 -10.041 14.137 19.615 1.00 40.43 ATOM 212 O LYS 13 -10.677 14.262 20.662 1.00 41.35 ATOM 213 N PRO 14 -10.205 14.969 18.575 1.00 2.23 ATOM 214 CA PRO 14 -11.150 16.090 18.599 1.00 21.53 ATOM 215 HA PRO 14 -10.978 16.728 19.456 1.00 32.35 ATOM 216 CB PRO 14 -10.819 16.860 17.318 1.00 35.25 ATOM 217 HB1 PRO 14 -10.110 17.641 17.546 1.00 36.16 ATOM 218 HB2 PRO 14 -11.712 17.299 16.889 1.00 22.14 ATOM 219 CG PRO 14 -10.219 15.844 16.410 1.00 60.45 ATOM 220 HG1 PRO 14 -9.535 16.322 15.725 1.00 36.16 ATOM 221 HG2 PRO 14 -10.999 15.331 15.866 1.00 41.43 ATOM 222 CD PRO 14 -9.480 14.880 17.296 1.00 34.24 ATOM 223 HD1 PRO 14 -8.452 15.190 17.413 1.00 36.16 ATOM 224 HD2 PRO 14 -9.528 13.896 16.873 1.00 63.53 ATOM 225 C PRO 14 -12.602 15.624 18.581 1.00 23.32 ATOM 226 O PRO 14 -12.958 14.695 17.855 1.00 12.10 ATOM 227 N THR 15 -13.437 16.274 19.385 1.00 54.42 ATOM 228 HN THR 15 -13.081 16.987 19.962 1.00 36.16 ATOM 229 CA THR 15 -14.851 15.926 19.462 1.00 44.35 ATOM 230 HA THR 15 -14.925 14.885 19.755 1.00 51.05 ATOM 231 CB THR 15 -15.581 16.772 20.522 1.00 24.21 ATOM 232 HB THR 15 -15.150 16.558 21.490 1.00 5.21 ATOM 233 OG1 THR 15 -16.972 16.435 20.544 1.00 32.03 ATOM 234 HG1 THR 15 -17.341 16.642 21.407 1.00 13.42 ATOM 235 CG2 THR 15 -15.418 18.257 20.236 1.00 4.03 ATOM 236 HG21 THR 15 -15.936 18.821 20.998 1.00 32.22 ATOM 237 HG22 THR 15 -15.841 18.498 19.273 1.00 53.01 ATOM 238 HG23 THR 15 -14.375 18.526 20.248 1.00 72.03 ATOM 239 C THR 15 -15.538 16.118 18.114 1.00 21.44 ATOM 240 O THR 15 -15.161 16.991 17.333 1.00 31.42 ATOM 241 N ALA 16 -16.548 15.296 17.849 1.00 54.31 ATOM 242 HN ALA 16 -16.805 14.609 18.506 1.00 36.16 ATOM 243 CA ALA 16 -17.290 15.377 16.597 1.00 51.52 ATOM 244 HA ALA 16 -16.956 16.240 16.033 1.00 44.43 ATOM 245 CB ALA 16 -17.027 14.144 15.746 1.00 23.44 ATOM 246 HB1 ALA 16 -17.388 13.263 16.259 1.00 70.44 ATOM 247 HB2 ALA 16 -15.965 14.047 15.576 1.00 63.23 ATOM 248 HB3 ALA 16 -17.534 14.242 14.796 1.00 71.24 ATOM 249 C ALA 16 -18.785 15.536 16.853 1.00 1.15 ATOM 250 O ALA 16 -19.612 15.012 16.107 1.00 45.24 ATOM 251 N ARG 17 -19.125 16.261 17.914 1.00 23.02 ATOM 252 HN ARG 17 -18.431 16.675 18.474 1.00 36.16 ATOM 253 CA ARG 17 -20.520 16.487 18.270 1.00 35.51 ATOM 254 HA ARG 17 -21.160 16.000 17.542 1.00 61.54 ATOM 255 CB ARG 17 -20.815 15.909 19.656 1.00 74.14 ATOM 256 HB1 ARG 17 -21.608 16.478 20.127 1.00 36.16 ATOM 257 HB2 ARG 17 -19.932 15.989 20.275 1.00 2.22 ATOM 258 CG ARG 17 -21.276 14.461 19.626 1.00 20.23 ATOM 259 HG1 ARG 17 -21.896 14.293 18.754 1.00 36.16 ATOM 260 HG2 ARG 17 -21.856 14.269 20.518 1.00 14.42 ATOM 261 CD ARG 17 -20.096 13.502 19.589 1.00 74.31 ATOM 262 HD1 ARG 17 -19.269 13.921 20.151 1.00 36.16 ATOM 263 HD2 ARG 17 -19.795 13.364 18.561 1.00 62.32 ATOM 264 NE ARG 17 -20.432 12.199 20.159 1.00 45.52 ATOM 265 HE ARG 17 -21.361 12.048 20.451 1.00 11.01 ATOM 266 CZ ARG 17 -19.554 11.212 20.302 1.00 13.31 ATOM 267 NH1 ARG 17 -18.296 11.379 19.920 1.00 62.44 ATOM 268 HH11 ARG 17 -17.984 12.240 19.521 1.00 44.32 ATOM 269 HH12 ARG 17 -17.640 10.629 20.032 1.00 41.12 ATOM 270 NH2 ARG 17 -19.935 10.056 20.830 1.00 74.14 ATOM 271 HH21 ARG 17 -20.885 9.924 21.122 1.00 32.13 ATOM 272 HH22 ARG 17 -19.275 9.310 20.939 1.00 63.31 ATOM 273 C ARG 17 -20.854 17.975 18.246 1.00 2.44 ATOM 274 O ARG 17 -21.066 18.591 19.290 1.00 3.21 ATOM 275 N GLY 18 -20.898 18.548 17.047 1.00 22.11 ATOM 276 HN GLY 18 -20.724 18.004 16.242 1.00 36.16 ATOM 277 CA GLY 18 -21.205 19.960 16.910 1.00 70.42 ATOM 278 HA1 GLY 18 -20.561 20.532 17.567 1.00 36.16 ATOM 279 HA2 GLY 18 -22.233 20.125 17.201 1.00 44.52 ATOM 280 C GLY 18 -21.012 20.460 15.492 1.00 21.20 ATOM 281 O GLY 18 -20.015 21.115 15.189 1.00 33.20 ATOM 282 N GLU 19 -21.967 20.149 14.621 1.00 11.01 ATOM 283 HN GLU 19 -22.750 19.630 14.919 1.00 36.16 ATOM 284 CA GLU 19 -21.895 20.570 13.227 1.00 70.01 ATOM 285 HA GLU 19 -20.911 20.986 13.033 1.00 35.25 ATOM 286 CB GLU 19 -22.099 19.371 12.298 1.00 55.41 ATOM 287 HB1 GLU 19 -22.186 19.720 11.276 1.00 36.16 ATOM 288 HB2 GLU 19 -23.017 18.874 12.577 1.00 3.01 ATOM 289 CG GLU 19 -20.967 18.360 12.351 1.00 44.23 ATOM 290 HG1 GLU 19 -20.789 18.085 13.382 1.00 36.16 ATOM 291 HG2 GLU 19 -20.077 18.815 11.943 1.00 44.33 ATOM 292 CD GLU 19 -21.270 17.102 11.561 1.00 53.25 ATOM 293 OE1 GLU 19 -21.186 17.148 10.316 1.00 64.24 ATOM 294 OE2 GLU 19 -21.592 16.072 12.188 1.00 35.51 ATOM 295 C GLU 19 -22.938 21.643 12.928 1.00 72.11 ATOM 296 O GLU 19 -24.068 21.577 13.411 1.00 71.31 ATOM 297 N ALA 20 -22.550 22.631 12.129 1.00 43.04 ATOM 298 HN ALA 20 -21.627 22.636 11.779 1.00 36.16 ATOM 299 CA ALA 20 -23.450 23.717 11.764 1.00 54.33 ATOM 300 HA ALA 20 -24.403 23.286 11.474 1.00 11.41 ATOM 301 CB ALA 20 -23.692 24.626 12.959 1.00 15.54 ATOM 302 HB1 ALA 20 -22.762 25.086 13.261 1.00 11.21 ATOM 303 HB2 ALA 20 -24.084 24.042 13.779 1.00 53.23 ATOM 304 HB3 ALA 20 -24.405 25.394 12.694 1.00 21.43 ATOM 305 C ALA 20 -22.897 24.519 10.591 1.00 44.13 ATOM 306 O ALA 20 -21.685 24.685 10.456 1.00 30.32 ATOM 307 N GLY 21 -23.793 25.015 9.743 1.00 61.44 ATOM 308 HN GLY 21 -24.755 24.864 9.904 1.00 36.16 ATOM 309 CA GLY 21 -23.374 25.792 8.591 1.00 0.42 ATOM 310 HA1 GLY 21 -22.360 25.531 8.312 1.00 36.16 ATOM 311 HA2 GLY 21 -23.401 26.839 8.852 1.00 23.14 ATOM 312 C GLY 21 -24.267 25.572 7.386 1.00 22.44 ATOM 313 O GLY 21 -25.304 24.917 7.486 1.00 73.42 ATOM 314 N SER 22 -23.864 26.121 6.245 1.00 73.21 ATOM 315 HN SER 22 -23.034 26.643 6.227 1.00 36.16 ATOM 316 CA SER 22 -24.638 25.985 5.017 1.00 55.14 ATOM 317 HA SER 22 -25.692 25.963 5.271 1.00 72.12 ATOM 318 CB SER 22 -24.388 27.181 4.096 1.00 10.21 ATOM 319 HB1 SER 22 -23.518 27.005 3.476 1.00 36.16 ATOM 320 HB2 SER 22 -24.221 28.066 4.695 1.00 60.25 ATOM 321 OG SER 22 -25.505 27.422 3.258 1.00 42.32 ATOM 322 HG SER 22 -25.274 28.080 2.598 1.00 52.34 ATOM 323 C SER 22 -24.286 24.689 4.293 1.00 41.34 ATOM 324 O SER 22 -23.559 23.848 4.821 1.00 33.25 ATOM 325 N ARG 23 -24.806 24.536 3.079 1.00 13.33 ATOM 326 HN ARG 23 -25.394 25.236 2.707 1.00 36.16 ATOM 327 CA ARG 23 -24.548 23.343 2.282 1.00 14.12 ATOM 328 HA ARG 23 -24.692 22.473 2.911 1.00 41.14 ATOM 329 CB ARG 23 -25.528 23.265 1.110 1.00 13.31 ATOM 330 HB1 ARG 23 -25.463 24.182 0.542 1.00 36.16 ATOM 331 HB2 ARG 23 -26.528 23.175 1.514 1.00 65.13 ATOM 332 CG ARG 23 -25.262 22.101 0.170 1.00 34.32 ATOM 333 HG1 ARG 23 -24.932 21.243 0.744 1.00 36.16 ATOM 334 HG2 ARG 23 -24.489 22.386 -0.528 1.00 3.25 ATOM 335 CD ARG 23 -26.510 21.720 -0.611 1.00 61.35 ATOM 336 HD1 ARG 23 -26.557 22.329 -1.502 1.00 36.16 ATOM 337 HD2 ARG 23 -27.391 21.902 -0.006 1.00 12.40 ATOM 338 NE ARG 23 -26.502 20.312 -1.002 1.00 54.51 ATOM 339 HE ARG 23 -25.725 19.764 -0.741 1.00 71.21 ATOM 340 CZ ARG 23 -27.483 19.735 -1.687 1.00 70.31 ATOM 341 NH1 ARG 23 -28.544 20.440 -2.056 1.00 23.15 ATOM 342 HH11 ARG 23 -28.628 21.410 -1.830 1.00 3.10 ATOM 343 HH12 ARG 23 -29.279 19.996 -2.573 1.00 71.33 ATOM 344 NH2 ARG 23 -27.404 18.449 -2.005 1.00 44.04 ATOM 345 HH21 ARG 23 -26.605 17.910 -1.730 1.00 15.34 ATOM 346 HH22 ARG 23 -28.143 18.011 -2.522 1.00 0.23 ATOM 347 C ARG 23 -23.114 23.337 1.761 1.00 32.24 ATOM 348 O ARG 23 -22.474 22.288 1.688 1.00 33.45 ATOM 349 N ASP 24 -22.616 24.514 1.400 1.00 13.33 ATOM 350 HN ASP 24 -23.176 25.323 1.469 1.00 36.16 ATOM 351 CA ASP 24 -21.258 24.645 0.887 1.00 62.14 ATOM 352 HA ASP 24 -21.117 23.910 0.103 1.00 41.22 ATOM 353 CB ASP 24 -21.045 26.040 0.296 1.00 21.33 ATOM 354 HB1 ASP 24 -20.021 26.136 -0.043 1.00 36.16 ATOM 355 HB2 ASP 24 -21.238 26.781 1.057 1.00 64.14 ATOM 356 CG ASP 24 -21.961 26.317 -0.880 1.00 24.42 ATOM 357 OD1 ASP 24 -23.126 26.698 -0.647 1.00 12.55 ATOM 358 OD2 ASP 24 -21.512 26.150 -2.034 1.00 1.44 ATOM 359 C ASP 24 -20.233 24.383 1.986 1.00 35.33 ATOM 360 O ASP 24 -19.108 23.967 1.712 1.00 11.44 ATOM 361 N GLU 25 -20.632 24.629 3.230 1.00 0.44 ATOM 362 HN GLU 25 -21.538 24.979 3.395 1.00 36.16 ATOM 363 CA GLU 25 -19.747 24.421 4.371 1.00 51.54 ATOM 364 HA GLU 25 -18.874 25.046 4.233 1.00 52.41 ATOM 365 CB GLU 25 -20.455 24.808 5.671 1.00 41.01 ATOM 366 HB1 GLU 25 -20.014 24.268 6.503 1.00 36.16 ATOM 367 HB2 GLU 25 -21.491 24.536 5.602 1.00 4.42 ATOM 368 CG GLU 25 -20.380 26.292 5.987 1.00 41.43 ATOM 369 HG1 GLU 25 -21.020 26.496 6.831 1.00 36.16 ATOM 370 HG2 GLU 25 -20.723 26.856 5.132 1.00 11.40 ATOM 371 CD GLU 25 -18.975 26.744 6.337 1.00 35.04 ATOM 372 OE1 GLU 25 -18.744 27.970 6.393 1.00 22.01 ATOM 373 OE2 GLU 25 -18.109 25.872 6.556 1.00 45.32 ATOM 374 C GLU 25 -19.285 22.969 4.443 1.00 62.03 ATOM 375 O GLU 25 -18.105 22.692 4.659 1.00 41.10 ATOM 376 N ARG 26 -20.223 22.046 4.261 1.00 72.25 ATOM 377 HN ARG 26 -21.154 22.328 4.100 1.00 36.16 ATOM 378 CA ARG 26 -19.913 20.622 4.307 1.00 74.14 ATOM 379 HA ARG 26 -19.615 20.373 5.311 1.00 15.12 ATOM 380 CB ARG 26 -21.148 19.797 3.938 1.00 11.42 ATOM 381 HB1 ARG 26 -20.869 18.750 3.909 1.00 36.16 ATOM 382 HB2 ARG 26 -21.492 20.098 2.959 1.00 74.21 ATOM 383 CG ARG 26 -22.299 19.954 4.918 1.00 35.30 ATOM 384 HG1 ARG 26 -22.710 20.948 4.820 1.00 36.16 ATOM 385 HG2 ARG 26 -21.932 19.812 5.925 1.00 44.30 ATOM 386 CD ARG 26 -23.399 18.937 4.653 1.00 63.12 ATOM 387 HD1 ARG 26 -23.008 17.954 4.875 1.00 36.16 ATOM 388 HD2 ARG 26 -23.685 18.986 3.610 1.00 31.03 ATOM 389 NE ARG 26 -24.581 19.182 5.474 1.00 11.31 ATOM 390 HE ARG 26 -24.639 20.041 5.955 1.00 33.44 ATOM 391 CZ ARG 26 -25.579 18.316 5.603 1.00 75.54 ATOM 392 NH1 ARG 26 -25.538 17.153 4.967 1.00 20.53 ATOM 393 HH11 ARG 26 -24.769 16.904 4.382 1.00 32.34 ATOM 394 HH12 ARG 26 -26.295 16.505 5.073 1.00 45.13 ATOM 395 NH2 ARG 26 -26.622 18.611 6.368 1.00 1.25 ATOM 396 HH21 ARG 26 -26.660 19.488 6.851 1.00 24.21 ATOM 397 HH22 ARG 26 -27.376 17.958 6.466 1.00 3.44 ATOM 398 C ARG 26 -18.763 20.285 3.362 1.00 32.02 ATOM 399 O ARG 26 -17.923 19.439 3.669 1.00 45.51 ATOM 400 N ARG 27 -18.733 20.952 2.213 1.00 74.41 ATOM 401 HN ARG 27 -19.427 21.625 2.025 1.00 36.16 ATOM 402 CA ARG 27 -17.688 20.722 1.223 1.00 21.31 ATOM 403 HA ARG 27 -17.608 19.661 1.046 1.00 72.03 ATOM 404 CB ARG 27 -18.039 21.420 -0.092 1.00 62.31 ATOM 405 HB1 ARG 27 -17.292 21.176 -0.810 1.00 36.16 ATOM 406 HB2 ARG 27 -18.043 22.489 0.061 1.00 25.45 ATOM 407 CG ARG 27 -19.393 21.018 -0.652 1.00 54.13 ATOM 408 HG1 ARG 27 -19.583 21.599 -1.543 1.00 36.16 ATOM 409 HG2 ARG 27 -20.161 21.224 0.077 1.00 33.22 ATOM 410 CD ARG 27 -19.430 19.542 -1.017 1.00 12.23 ATOM 411 HD1 ARG 27 -18.451 19.235 -1.366 1.00 36.16 ATOM 412 HD2 ARG 27 -20.137 19.398 -1.821 1.00 31.23 ATOM 413 NE ARG 27 -19.799 18.706 0.123 1.00 41.25 ATOM 414 HE ARG 27 -19.075 18.245 0.598 1.00 13.31 ATOM 415 CZ ARG 27 -21.050 18.534 0.534 1.00 54.54 ATOM 416 NH1 ARG 27 -22.048 19.137 -0.098 1.00 42.44 ATOM 417 HH11 ARG 27 -21.889 19.729 -0.884 1.00 12.32 ATOM 418 HH12 ARG 27 -22.989 18.997 0.219 1.00 14.44 ATOM 419 NH2 ARG 27 -21.306 17.758 1.579 1.00 71.13 ATOM 420 HH21 ARG 27 -20.557 17.299 2.061 1.00 23.55 ATOM 421 HH22 ARG 27 -22.249 17.627 1.891 1.00 1.43 ATOM 422 C ARG 27 -16.339 21.220 1.732 1.00 45.31 ATOM 423 O ARG 27 -15.298 20.629 1.444 1.00 35.21 ATOM 424 N ALA 28 -16.364 22.312 2.489 1.00 52.31 ATOM 425 HN ALA 28 -17.221 22.760 2.669 1.00 36.16 ATOM 426 CA ALA 28 -15.144 22.890 3.039 1.00 62.53 ATOM 427 HA ALA 28 -14.442 23.040 2.228 1.00 35.03 ATOM 428 CB ALA 28 -15.435 24.248 3.659 1.00 35.34 ATOM 429 HB1 ALA 28 -14.510 24.715 3.963 1.00 41.20 ATOM 430 HB2 ALA 28 -16.082 24.134 4.517 1.00 50.31 ATOM 431 HB3 ALA 28 -15.922 24.863 2.926 1.00 21.41 ATOM 432 C ALA 28 -14.512 21.959 4.069 1.00 14.50 ATOM 433 O ALA 28 -13.379 21.507 3.900 1.00 11.23 ATOM 434 N LEU 29 -15.251 21.678 5.136 1.00 34.04 ATOM 435 HN LEU 29 -16.137 22.098 5.220 1.00 36.16 ATOM 436 CA LEU 29 -14.763 20.801 6.195 1.00 13.55 ATOM 437 HA LEU 29 -13.864 21.239 6.606 1.00 4.45 ATOM 438 CB LEU 29 -15.807 20.683 7.308 1.00 63.33 ATOM 439 HB1 LEU 29 -15.763 21.603 7.876 1.00 36.16 ATOM 440 HB2 LEU 29 -15.506 19.880 7.975 1.00 54.13 ATOM 441 CG LEU 29 -17.249 20.455 6.853 1.00 1.24 ATOM 442 HG LEU 29 -17.311 20.457 5.778 1.00 42.42 ATOM 443 CD1 LEU 29 -17.748 19.097 7.321 1.00 20.05 ATOM 444 HD11 LEU 29 -18.760 18.942 6.972 1.00 2.52 ATOM 445 HD12 LEU 29 -17.731 19.054 8.402 1.00 11.32 ATOM 446 HD13 LEU 29 -17.111 18.320 6.921 1.00 4.30 ATOM 447 CD2 LEU 29 -18.153 21.565 7.371 1.00 25.21 ATOM 448 HD21 LEU 29 -18.165 21.546 8.453 1.00 51.34 ATOM 449 HD22 LEU 29 -19.156 21.426 7.004 1.00 54.12 ATOM 450 HD23 LEU 29 -17.781 22.523 7.040 1.00 21.15 ATOM 451 C LEU 29 -14.429 19.418 5.647 1.00 42.24 ATOM 452 O LEU 29 -13.582 18.711 6.192 1.00 12.22 ATOM 453 N ALA 30 -15.098 19.040 4.563 1.00 60.35 ATOM 454 HN ALA 30 -15.795 19.623 4.186 1.00 36.16 ATOM 455 CA ALA 30 -14.869 17.743 3.937 1.00 3.22 ATOM 456 HA ALA 30 -14.941 16.978 4.700 1.00 2.42 ATOM 457 CB ALA 30 -15.941 17.463 2.895 1.00 34.22 ATOM 458 HB1 ALA 30 -16.882 17.287 3.391 1.00 51.41 ATOM 459 HB2 ALA 30 -15.677 16.586 2.317 1.00 30.31 ATOM 460 HB3 ALA 30 -16.035 18.314 2.237 1.00 33.11 ATOM 461 C ALA 30 -13.483 17.677 3.304 1.00 71.51 ATOM 462 O ALA 30 -12.876 16.609 3.229 1.00 64.12 ATOM 463 N MET 31 -12.990 18.824 2.849 1.00 24.41 ATOM 464 HN MET 31 -13.517 19.652 2.920 1.00 36.16 ATOM 465 CA MET 31 -11.675 18.894 2.222 1.00 3.45 ATOM 466 HA MET 31 -11.353 17.897 1.958 1.00 22.34 ATOM 467 CB MET 31 -11.735 19.751 0.956 1.00 1.24 ATOM 468 HB1 MET 31 -10.731 19.917 0.583 1.00 36.16 ATOM 469 HB2 MET 31 -12.175 20.705 1.207 1.00 23.23 ATOM 470 CG MET 31 -12.560 19.130 -0.159 1.00 65.22 ATOM 471 HG1 MET 31 -12.621 19.832 -0.970 1.00 36.16 ATOM 472 HG2 MET 31 -13.552 18.916 0.209 1.00 31.11 ATOM 473 SD MET 31 -11.832 17.607 -0.795 1.00 53.42 ATOM 474 CE MET 31 -10.495 18.261 -1.791 1.00 3.32 ATOM 475 HE1 MET 31 -9.763 18.706 -1.144 1.00 14.54 ATOM 476 HE2 MET 31 -10.881 19.008 -2.468 1.00 51.23 ATOM 477 HE3 MET 31 -10.040 17.461 -2.356 1.00 62.15 ATOM 478 C MET 31 -10.642 19.466 3.189 1.00 50.13 ATOM 479 O MET 31 -9.451 19.517 2.882 1.00 23.41 ATOM 480 N LYS 32 -11.106 19.896 4.357 1.00 11.40 ATOM 481 HN LYS 32 -12.055 19.854 4.560 1.00 36.16 ATOM 482 CA LYS 32 -10.223 20.464 5.369 1.00 34.13 ATOM 483 HA LYS 32 -10.821 20.699 6.237 1.00 72.12 ATOM 484 CB LYS 32 -9.148 19.449 5.765 1.00 53.11 ATOM 485 HB1 LYS 32 -8.649 19.818 6.651 1.00 36.16 ATOM 486 HB2 LYS 32 -8.420 19.354 4.972 1.00 15.15 ATOM 487 CG LYS 32 -9.699 18.066 6.067 1.00 10.20 ATOM 488 HG1 LYS 32 -10.040 17.612 5.147 1.00 36.16 ATOM 489 HG2 LYS 32 -10.532 18.160 6.751 1.00 3.40 ATOM 490 CD LYS 32 -8.648 17.175 6.708 1.00 13.43 ATOM 491 HD1 LYS 32 -9.122 16.260 7.034 1.00 36.16 ATOM 492 HD2 LYS 32 -8.219 17.681 7.562 1.00 72.43 ATOM 493 CE LYS 32 -7.538 16.829 5.728 1.00 31.42 ATOM 494 HE1 LYS 32 -6.982 17.727 5.501 1.00 36.16 ATOM 495 HE2 LYS 32 -7.975 16.437 4.819 1.00 41.50 ATOM 496 NZ LYS 32 -6.605 15.810 6.285 1.00 41.32 ATOM 497 HZ1 LYS 32 -6.158 16.166 7.156 1.00 40.32 ATOM 498 HZ2 LYS 32 -5.859 15.596 5.593 1.00 55.14 ATOM 499 HZ3 LYS 32 -7.118 14.930 6.504 1.00 53.52 ATOM 500 C LYS 32 -9.567 21.744 4.863 1.00 50.32 ATOM 501 O LYS 32 -8.344 21.819 4.740 1.00 10.23 ATOM 502 N ILE 33 -10.387 22.749 4.572 1.00 63.33 ATOM 503 HN ILE 33 -11.359 22.635 4.702 1.00 36.16 ATOM 504 CA ILE 33 -9.885 24.026 4.081 1.00 5.23 ATOM 505 HA ILE 33 -9.057 23.810 3.427 1.00 65.44 ATOM 506 CB ILE 33 -10.956 24.779 3.271 1.00 73.43 ATOM 507 HB ILE 33 -11.787 25.004 3.926 1.00 42.14 ATOM 508 CG1 ILE 33 -11.458 23.908 2.117 1.00 54.43 ATOM 509 HG11 ILE 33 -12.246 24.434 1.595 1.00 36.16 ATOM 510 HG12 ILE 33 -11.855 22.982 2.506 1.00 74.24 ATOM 511 CG2 ILE 33 -10.398 26.093 2.746 1.00 22.00 ATOM 512 HG21 ILE 33 -9.561 25.914 2.096 1.00 30.22 ATOM 513 HG22 ILE 33 -10.087 26.705 3.557 1.00 75.02 ATOM 514 HG23 ILE 33 -11.168 26.612 2.192 1.00 70.31 ATOM 515 CD1 ILE 33 -10.386 23.566 1.107 1.00 44.23 ATOM 516 HD11 ILE 33 -10.015 24.464 0.640 1.00 34.13 ATOM 517 HD12 ILE 33 -10.812 22.927 0.348 1.00 31.44 ATOM 518 HD13 ILE 33 -9.574 23.044 1.586 1.00 11.32 ATOM 519 C ILE 33 -9.419 24.912 5.232 1.00 65.11 ATOM 520 O ILE 33 -10.106 25.076 6.240 1.00 54.24 ATOM 521 N PRO 34 -8.222 25.499 5.080 1.00 71.24 ATOM 522 CA PRO 34 -7.638 26.380 6.095 1.00 41.22 ATOM 523 HA PRO 34 -7.605 25.902 7.064 1.00 11.51 ATOM 524 CB PRO 34 -6.212 26.610 5.587 1.00 54.42 ATOM 525 HB1 PRO 34 -5.551 25.887 6.042 1.00 36.16 ATOM 526 HB2 PRO 34 -5.872 27.610 5.829 1.00 20.14 ATOM 527 CG PRO 34 -6.297 26.402 4.114 1.00 1.51 ATOM 528 HG1 PRO 34 -5.346 26.056 3.738 1.00 36.16 ATOM 529 HG2 PRO 34 -6.574 27.310 3.636 1.00 2.24 ATOM 530 CD PRO 34 -7.348 25.348 3.904 1.00 22.44 ATOM 531 HD1 PRO 34 -6.895 24.367 3.886 1.00 36.16 ATOM 532 HD2 PRO 34 -7.865 25.535 2.990 1.00 32.43 ATOM 533 C PRO 34 -8.383 27.706 6.210 1.00 61.32 ATOM 534 O PRO 34 -8.601 28.213 7.310 1.00 2.41 ATOM 535 N PHE 35 -8.772 28.262 5.067 1.00 21.42 ATOM 536 HN PHE 35 -8.603 27.794 4.235 1.00 36.16 ATOM 537 CA PHE 35 -9.493 29.529 5.040 1.00 4.00 ATOM 538 HA PHE 35 -9.284 30.054 5.963 1.00 61.24 ATOM 539 CB PHE 35 -9.003 30.393 3.876 1.00 14.41 ATOM 540 HB1 PHE 35 -8.001 30.736 4.101 1.00 36.16 ATOM 541 HB2 PHE 35 -9.643 31.258 3.763 1.00 22.33 ATOM 542 CG PHE 35 -8.966 29.665 2.563 1.00 25.01 ATOM 543 CD1 PHE 35 -7.803 29.046 2.132 1.00 1.42 ATOM 544 HD1 PHE 35 -6.915 29.099 2.743 1.00 11.21 ATOM 545 CD2 PHE 35 -10.093 29.598 1.760 1.00 45.41 ATOM 546 HD2 PHE 35 -11.006 30.075 2.081 1.00 11.43 ATOM 547 CE1 PHE 35 -7.765 28.376 0.924 1.00 13.31 ATOM 548 HE1 PHE 35 -6.853 27.899 0.602 1.00 72.23 ATOM 549 CE2 PHE 35 -10.061 28.929 0.551 1.00 50.21 ATOM 550 HE2 PHE 35 -10.939 28.881 -0.064 1.00 31.41 ATOM 551 CZ PHE 35 -8.896 28.317 0.133 1.00 20.50 ATOM 552 HZ PHE 35 -8.867 27.797 -0.810 1.00 60.24 ATOM 553 C PHE 35 -10.996 29.297 4.919 1.00 0.44 ATOM 554 O PHE 35 -11.453 28.264 4.431 1.00 72.21 ATOM 555 N PRO 36 -11.784 30.282 5.376 1.00 73.04 ATOM 556 CA PRO 36 -13.248 30.210 5.330 1.00 23.32 ATOM 557 HA PRO 36 -13.613 29.306 5.798 1.00 20.45 ATOM 558 CB PRO 36 -13.689 31.425 6.150 1.00 25.44 ATOM 559 HB1 PRO 36 -13.855 31.126 7.174 1.00 36.16 ATOM 560 HB2 PRO 36 -14.593 31.842 5.747 1.00 4.01 ATOM 561 CG PRO 36 -12.552 32.383 6.049 1.00 30.53 ATOM 562 HG1 PRO 36 -12.523 33.015 6.924 1.00 36.16 ATOM 563 HG2 PRO 36 -12.661 32.971 5.167 1.00 30.04 ATOM 564 CD PRO 36 -11.308 31.542 5.970 1.00 23.14 ATOM 565 HD1 PRO 36 -10.905 31.374 6.958 1.00 36.16 ATOM 566 HD2 PRO 36 -10.582 32.028 5.347 1.00 42.33 ATOM 567 C PRO 36 -13.789 30.303 3.908 1.00 61.34 ATOM 568 O PRO 36 -13.128 30.833 3.014 1.00 71.23 ATOM 569 N THR 37 -14.996 29.784 3.703 1.00 0.23 ATOM 570 HN THR 37 -15.485 29.388 4.463 1.00 36.16 ATOM 571 CA THR 37 -15.626 29.808 2.389 1.00 3.22 ATOM 572 HA THR 37 -14.902 29.489 1.665 1.00 32.25 ATOM 573 CB THR 37 -16.826 28.845 2.324 1.00 64.44 ATOM 574 HB THR 37 -17.198 28.820 1.308 1.00 54.33 ATOM 575 OG1 THR 37 -17.868 29.301 3.193 1.00 72.42 ATOM 576 HG1 THR 37 -18.714 28.965 2.887 1.00 71.23 ATOM 577 CG2 THR 37 -16.410 27.435 2.718 1.00 50.35 ATOM 578 HG21 THR 37 -17.257 26.772 2.617 1.00 12.14 ATOM 579 HG22 THR 37 -16.071 27.427 3.743 1.00 24.41 ATOM 580 HG23 THR 37 -15.612 27.096 2.072 1.00 24.11 ATOM 581 C THR 37 -16.096 31.213 2.031 1.00 54.14 ATOM 582 O THR 37 -16.097 31.598 0.861 1.00 3.34 ATOM 583 N ASP 38 -16.496 31.974 3.043 1.00 1.43 ATOM 584 HN ASP 38 -16.516 31.591 3.948 1.00 36.16 ATOM 585 CA ASP 38 -16.968 33.338 2.835 1.00 43.44 ATOM 586 HA ASP 38 -17.793 33.307 2.135 1.00 14.03 ATOM 587 CB ASP 38 -17.465 33.936 4.152 1.00 44.01 ATOM 588 HB1 ASP 38 -18.402 33.467 4.415 1.00 36.16 ATOM 589 HB2 ASP 38 -17.626 35.000 4.037 1.00 43.33 ATOM 590 CG ASP 38 -16.489 33.717 5.292 1.00 71.15 ATOM 591 OD1 ASP 38 -15.498 34.471 5.377 1.00 40.41 ATOM 592 OD2 ASP 38 -16.716 32.790 6.098 1.00 54.34 ATOM 593 C ASP 38 -15.862 34.212 2.250 1.00 12.32 ATOM 594 O ASP 38 -16.124 35.111 1.451 1.00 43.43 ATOM 595 N LYS 39 -14.626 33.943 2.655 1.00 2.14 ATOM 596 HN LYS 39 -14.472 33.219 3.307 1.00 36.16 ATOM 597 CA LYS 39 -13.479 34.704 2.173 1.00 73.32 ATOM 598 HA LYS 39 -13.691 35.754 2.292 1.00 21.02 ATOM 599 CB LYS 39 -12.235 34.368 2.997 1.00 23.15 ATOM 600 HB1 LYS 39 -12.046 33.306 2.939 1.00 36.16 ATOM 601 HB2 LYS 39 -12.435 34.637 4.024 1.00 74.23 ATOM 602 CG LYS 39 -10.988 35.108 2.546 1.00 42.31 ATOM 603 HG1 LYS 39 -11.222 36.156 2.401 1.00 36.16 ATOM 604 HG2 LYS 39 -10.662 34.681 1.610 1.00 74.44 ATOM 605 CD LYS 39 -9.858 34.964 3.552 1.00 72.41 ATOM 606 HD1 LYS 39 -8.926 34.890 3.011 1.00 36.16 ATOM 607 HD2 LYS 39 -9.996 34.069 4.146 1.00 51.25 ATOM 608 CE LYS 39 -9.783 36.165 4.482 1.00 32.42 ATOM 609 HE1 LYS 39 -10.722 36.259 5.011 1.00 36.16 ATOM 610 HE2 LYS 39 -9.611 37.055 3.893 1.00 44.50 ATOM 611 NZ LYS 39 -8.683 36.028 5.476 1.00 1.24 ATOM 612 HZ1 LYS 39 -7.765 35.946 4.991 1.00 51.12 ATOM 613 HZ2 LYS 39 -8.829 35.182 6.065 1.00 34.33 ATOM 614 HZ3 LYS 39 -8.659 36.863 6.095 1.00 75.31 ATOM 615 C LYS 39 -13.217 34.416 0.698 1.00 55.32 ATOM 616 O LYS 39 -12.563 35.200 0.010 1.00 52.41 ATOM 617 N ILE 40 -13.733 33.289 0.219 1.00 52.32 ATOM 618 HN ILE 40 -14.218 32.683 0.809 1.00 36.16 ATOM 619 CA ILE 40 -13.557 32.901 -1.175 1.00 42.00 ATOM 620 HA ILE 40 -12.507 33.007 -1.429 1.00 21.25 ATOM 621 CB ILE 40 -13.962 31.433 -1.406 1.00 43.21 ATOM 622 HB ILE 40 -15.002 31.321 -1.152 1.00 43.52 ATOM 623 CG1 ILE 40 -13.123 30.505 -0.524 1.00 53.34 ATOM 624 HG11 ILE 40 -13.165 30.839 0.503 1.00 36.16 ATOM 625 HG12 ILE 40 -12.096 30.526 -0.857 1.00 31.34 ATOM 626 CG2 ILE 40 -13.803 31.065 -2.874 1.00 22.44 ATOM 627 HG21 ILE 40 -13.281 30.127 -2.991 1.00 11.22 ATOM 628 HG22 ILE 40 -13.260 31.826 -3.403 1.00 54.41 ATOM 629 HG23 ILE 40 -14.785 30.970 -3.313 1.00 35.11 ATOM 630 CD1 ILE 40 -13.590 29.066 -0.547 1.00 5.41 ATOM 631 HD11 ILE 40 -13.352 28.621 -1.497 1.00 52.53 ATOM 632 HD12 ILE 40 -14.659 29.025 -0.395 1.00 51.14 ATOM 633 HD13 ILE 40 -13.096 28.516 0.240 1.00 31.50 ATOM 634 C ILE 40 -14.374 33.794 -2.102 1.00 52.12 ATOM 635 O ILE 40 -13.945 34.115 -3.211 1.00 30.15 ATOM 636 N VAL 41 -15.555 34.194 -1.640 1.00 43.42 ATOM 637 HN VAL 41 -15.864 33.895 -0.754 1.00 36.16 ATOM 638 CA VAL 41 -16.432 35.054 -2.426 1.00 61.55 ATOM 639 HA VAL 41 -16.155 34.976 -3.473 1.00 62.11 ATOM 640 CB VAL 41 -17.905 34.623 -2.294 1.00 1.54 ATOM 641 HB VAL 41 -18.244 34.844 -1.289 1.00 11.32 ATOM 642 CG1 VAL 41 -18.778 35.398 -3.269 1.00 44.14 ATOM 643 HG11 VAL 41 -18.390 35.291 -4.273 1.00 10.40 ATOM 644 HG12 VAL 41 -18.794 36.442 -2.998 1.00 13.25 ATOM 645 HG13 VAL 41 -19.789 35.014 -3.236 1.00 75.23 ATOM 646 CG2 VAL 41 -18.044 33.125 -2.515 1.00 30.10 ATOM 647 HG21 VAL 41 -17.712 32.873 -3.510 1.00 3.41 ATOM 648 HG22 VAL 41 -19.079 32.841 -2.400 1.00 3.44 ATOM 649 HG23 VAL 41 -17.451 32.587 -1.790 1.00 20.13 ATOM 650 C VAL 41 -16.299 36.511 -2.001 1.00 11.42 ATOM 651 O VAL 41 -16.576 37.423 -2.779 1.00 11.34 ATOM 652 N ASN 42 -15.873 36.723 -0.760 1.00 2.31 ATOM 653 HN ASN 42 -15.676 35.961 -0.172 1.00 36.16 ATOM 654 CA ASN 42 -15.703 38.071 -0.230 1.00 1.32 ATOM 655 HA ASN 42 -16.606 38.634 -0.440 1.00 22.11 ATOM 656 CB ASN 42 -15.476 38.022 1.282 1.00 5.24 ATOM 657 HB1 ASN 42 -14.871 38.868 1.588 1.00 36.16 ATOM 658 HB2 ASN 42 -14.960 37.122 1.543 1.00 34.55 ATOM 659 CG ASN 42 -16.773 38.084 2.065 1.00 73.35 ATOM 660 OD1 ASN 42 -16.885 38.817 3.047 1.00 42.31 ATOM 661 ND2 ASN 42 -17.762 37.311 1.631 1.00 34.10 ATOM 662 HD21 ASN 42 -17.634 36.736 0.853 1.00 41.01 ATOM 663 HD22 ASN 42 -18.608 37.350 2.124 1.00 63.43 ATOM 664 C ASN 42 -14.534 38.779 -0.908 1.00 52.43 ATOM 665 O ASN 42 -14.633 39.951 -1.276 1.00 25.02 ATOM 666 N LEU 43 -13.429 38.061 -1.072 1.00 60.21 ATOM 667 HN LEU 43 -13.406 37.126 -0.756 1.00 36.16 ATOM 668 CA LEU 43 -12.240 38.619 -1.707 1.00 54.34 ATOM 669 HA LEU 43 -12.068 39.589 -1.266 1.00 34.43 ATOM 670 CB LEU 43 -11.030 37.720 -1.451 1.00 33.53 ATOM 671 HB1 LEU 43 -10.301 37.871 -2.232 1.00 36.16 ATOM 672 HB2 LEU 43 -11.368 36.694 -1.519 1.00 4.41 ATOM 673 CG LEU 43 -10.330 37.904 -0.104 1.00 11.30 ATOM 674 HG LEU 43 -11.065 37.856 0.686 1.00 71.31 ATOM 675 CD1 LEU 43 -9.319 36.792 0.129 1.00 13.32 ATOM 676 HD11 LEU 43 -8.894 36.891 1.118 1.00 13.14 ATOM 677 HD12 LEU 43 -8.531 36.856 -0.609 1.00 33.50 ATOM 678 HD13 LEU 43 -9.807 35.833 0.044 1.00 22.11 ATOM 679 CD2 LEU 43 -9.653 39.266 -0.037 1.00 71.42 ATOM 680 HD21 LEU 43 -9.157 39.376 0.918 1.00 14.23 ATOM 681 HD22 LEU 43 -10.389 40.047 -0.141 1.00 31.42 ATOM 682 HD23 LEU 43 -8.928 39.353 -0.824 1.00 74.32 ATOM 683 C LEU 43 -12.454 38.788 -3.208 1.00 43.22 ATOM 684 O LEU 43 -13.313 38.147 -3.814 1.00 45.11 ATOM 685 N PRO 44 -11.653 39.670 -3.824 1.00 43.15 ATOM 686 CA PRO 44 -11.733 39.942 -5.263 1.00 23.32 ATOM 687 HA PRO 44 -12.738 40.206 -5.562 1.00 63.34 ATOM 688 CB PRO 44 -10.809 41.148 -5.448 1.00 0.22 ATOM 689 HB1 PRO 44 -11.392 42.055 -5.391 1.00 36.16 ATOM 690 HB2 PRO 44 -10.304 41.105 -6.406 1.00 11.44 ATOM 691 CG PRO 44 -9.844 41.063 -4.316 1.00 43.43 ATOM 692 HG1 PRO 44 -9.486 42.049 -4.061 1.00 36.16 ATOM 693 HG2 PRO 44 -9.029 40.429 -4.589 1.00 11.44 ATOM 694 CD PRO 44 -10.607 40.470 -3.165 1.00 22.44 ATOM 695 HD1 PRO 44 -11.039 41.248 -2.553 1.00 36.16 ATOM 696 HD2 PRO 44 -9.950 39.860 -2.592 1.00 73.34 ATOM 697 C PRO 44 -11.247 38.765 -6.103 1.00 12.42 ATOM 698 O PRO 44 -10.830 37.738 -5.568 1.00 60.00 ATOM 699 N VAL 45 -11.304 38.922 -7.422 1.00 2.45 ATOM 700 HN VAL 45 -11.659 39.765 -7.787 1.00 36.16 ATOM 701 CA VAL 45 -10.868 37.874 -8.336 1.00 32.42 ATOM 702 HA VAL 45 -11.336 36.944 -8.030 1.00 64.21 ATOM 703 CB VAL 45 -11.298 38.177 -9.784 1.00 24.15 ATOM 704 HB VAL 45 -12.363 38.358 -9.792 1.00 55.44 ATOM 705 CG1 VAL 45 -10.599 39.427 -10.297 1.00 33.10 ATOM 706 HG11 VAL 45 -11.020 39.697 -11.254 1.00 51.25 ATOM 707 HG12 VAL 45 -9.541 39.244 -10.419 1.00 42.30 ATOM 708 HG13 VAL 45 -10.743 40.245 -9.607 1.00 52.05 ATOM 709 CG2 VAL 45 -11.008 36.986 -10.685 1.00 55.31 ATOM 710 HG21 VAL 45 -11.470 36.098 -10.276 1.00 51.22 ATOM 711 HG22 VAL 45 -9.942 36.831 -10.767 1.00 21.24 ATOM 712 HG23 VAL 45 -11.415 37.176 -11.668 1.00 11.45 ATOM 713 C VAL 45 -9.354 37.700 -8.292 1.00 51.41 ATOM 714 O VAL 45 -8.835 36.615 -8.553 1.00 34.31 ATOM 715 N ASP 46 -8.651 38.777 -7.960 1.00 45.23 ATOM 716 HN ASP 46 -9.116 39.623 -7.767 1.00 36.16 ATOM 717 CA ASP 46 -7.195 38.745 -7.880 1.00 63.45 ATOM 718 HA ASP 46 -6.822 38.192 -8.736 1.00 34.43 ATOM 719 CB ASP 46 -6.629 40.166 -7.906 1.00 34.51 ATOM 720 HB1 ASP 46 -5.854 40.273 -7.157 1.00 36.16 ATOM 721 HB2 ASP 46 -7.412 40.880 -7.694 1.00 10.11 ATOM 722 CG ASP 46 -6.021 40.523 -9.248 1.00 34.21 ATOM 723 OD1 ASP 46 -6.742 41.094 -10.093 1.00 12.20 ATOM 724 OD2 ASP 46 -4.825 40.232 -9.453 1.00 24.02 ATOM 725 C ASP 46 -6.736 38.024 -6.617 1.00 22.32 ATOM 726 O ASP 46 -6.073 36.989 -6.687 1.00 24.22 ATOM 727 N ASP 47 -7.092 38.578 -5.463 1.00 72.14 ATOM 728 HN ASP 47 -7.610 39.410 -5.475 1.00 36.16 ATOM 729 CA ASP 47 -6.717 37.988 -4.184 1.00 10.05 ATOM 730 HA ASP 47 -5.641 38.067 -4.094 1.00 24.24 ATOM 731 CB ASP 47 -7.385 38.744 -3.034 1.00 34.30 ATOM 732 HB1 ASP 47 -8.319 38.275 -2.769 1.00 36.16 ATOM 733 HB2 ASP 47 -7.578 39.760 -3.340 1.00 4.13 ATOM 734 CG ASP 47 -6.512 38.805 -1.796 1.00 50.23 ATOM 735 OD1 ASP 47 -6.384 39.903 -1.215 1.00 32.22 ATOM 736 OD2 ASP 47 -5.956 37.756 -1.410 1.00 25.04 ATOM 737 C ASP 47 -7.103 36.513 -4.131 1.00 64.02 ATOM 738 O ASP 47 -6.390 35.695 -3.549 1.00 72.42 ATOM 739 N PHE 48 -8.235 36.181 -4.742 1.00 61.52 ATOM 740 HN PHE 48 -8.779 36.879 -5.176 1.00 36.16 ATOM 741 CA PHE 48 -8.717 34.804 -4.764 1.00 4.35 ATOM 742 HA PHE 48 -8.760 34.444 -3.744 1.00 15.55 ATOM 743 CB PHE 48 -10.122 34.743 -5.365 1.00 32.21 ATOM 744 HB1 PHE 48 -10.108 35.226 -6.333 1.00 36.16 ATOM 745 HB2 PHE 48 -10.802 35.275 -4.715 1.00 22.30 ATOM 746 CG PHE 48 -10.644 33.344 -5.528 1.00 64.33 ATOM 747 CD1 PHE 48 -11.135 32.911 -6.750 1.00 4.44 ATOM 748 HD1 PHE 48 -11.142 33.588 -7.594 1.00 23.23 ATOM 749 CD2 PHE 48 -10.643 32.461 -4.460 1.00 52.12 ATOM 750 HD2 PHE 48 -10.263 32.783 -3.500 1.00 53.01 ATOM 751 CE1 PHE 48 -11.615 31.624 -6.903 1.00 41.55 ATOM 752 HE1 PHE 48 -11.995 31.299 -7.860 1.00 33.10 ATOM 753 CE2 PHE 48 -11.122 31.173 -4.608 1.00 63.12 ATOM 754 HE2 PHE 48 -11.123 30.514 -3.766 1.00 25.30 ATOM 755 CZ PHE 48 -11.609 30.755 -5.831 1.00 33.51 ATOM 756 HZ PHE 48 -11.980 29.753 -5.951 1.00 73.51 ATOM 757 C PHE 48 -7.771 33.909 -5.559 1.00 50.44 ATOM 758 O PHE 48 -7.302 32.886 -5.062 1.00 55.34 ATOM 759 N ASN 49 -7.496 34.303 -6.799 1.00 11.33 ATOM 760 HN ASN 49 -7.906 35.133 -7.143 1.00 36.16 ATOM 761 CA ASN 49 -6.608 33.537 -7.665 1.00 23.11 ATOM 762 HA ASN 49 -7.085 32.590 -7.879 1.00 42.41 ATOM 763 CB ASN 49 -6.364 34.290 -8.974 1.00 62.34 ATOM 764 HB1 ASN 49 -5.534 33.839 -9.505 1.00 36.16 ATOM 765 HB2 ASN 49 -6.121 35.319 -8.749 1.00 74.44 ATOM 766 CG ASN 49 -7.574 34.266 -9.889 1.00 5.24 ATOM 767 OD1 ASN 49 -8.384 33.341 -9.840 1.00 71.14 ATOM 768 ND2 ASN 49 -7.700 35.287 -10.728 1.00 52.23 ATOM 769 HD21 ASN 49 -7.021 36.000 -10.721 1.00 61.33 ATOM 770 HD22 ASN 49 -8.472 35.288 -11.331 1.00 75.42 ATOM 771 C ASN 49 -5.278 33.258 -6.970 1.00 51.14 ATOM 772 O ASN 49 -4.672 32.206 -7.170 1.00 2.23 ATOM 773 N GLU 50 -4.832 34.208 -6.154 1.00 52.24 ATOM 774 HN GLU 50 -5.346 35.041 -6.041 1.00 36.16 ATOM 775 CA GLU 50 -3.574 34.064 -5.431 1.00 15.22 ATOM 776 HA GLU 50 -2.879 33.506 -6.050 1.00 32.14 ATOM 777 CB GLU 50 -2.974 35.439 -5.128 1.00 71.25 ATOM 778 HB1 GLU 50 -2.264 35.358 -4.312 1.00 36.16 ATOM 779 HB2 GLU 50 -3.772 36.103 -4.821 1.00 63.11 ATOM 780 CG GLU 50 -2.274 36.072 -6.319 1.00 11.41 ATOM 781 HG1 GLU 50 -2.210 37.137 -6.151 1.00 36.16 ATOM 782 HG2 GLU 50 -2.851 35.889 -7.216 1.00 44.25 ATOM 783 CD GLU 50 -0.871 35.535 -6.524 1.00 41.52 ATOM 784 OE1 GLU 50 -0.479 35.332 -7.693 1.00 34.34 ATOM 785 OE2 GLU 50 -0.165 35.319 -5.517 1.00 63.15 ATOM 786 C GLU 50 -3.780 33.290 -4.132 1.00 24.11 ATOM 787 O GLU 50 -2.849 32.677 -3.607 1.00 44.42 ATOM 788 N LEU 51 -5.004 33.322 -3.618 1.00 52.21 ATOM 789 HN LEU 51 -5.694 33.862 -4.045 1.00 36.16 ATOM 790 CA LEU 51 -5.333 32.624 -2.380 1.00 51.20 ATOM 791 HA LEU 51 -4.648 32.953 -1.614 1.00 52.35 ATOM 792 CB LEU 51 -6.756 32.971 -1.939 1.00 31.33 ATOM 793 HB1 LEU 51 -7.429 32.662 -2.725 1.00 36.16 ATOM 794 HB2 LEU 51 -6.826 34.045 -1.842 1.00 12.21 ATOM 795 CG LEU 51 -7.227 32.334 -0.630 1.00 42.34 ATOM 796 HG LEU 51 -6.986 31.283 -0.625 1.00 32.23 ATOM 797 CD1 LEU 51 -6.527 32.976 0.557 1.00 10.15 ATOM 798 HD11 LEU 51 -6.853 32.500 1.472 1.00 50.23 ATOM 799 HD12 LEU 51 -6.766 34.030 0.596 1.00 44.24 ATOM 800 HD13 LEU 51 -5.457 32.855 0.456 1.00 35.43 ATOM 801 CD2 LEU 51 -8.737 32.456 -0.491 1.00 73.24 ATOM 802 HD21 LEU 51 -9.218 31.970 -1.329 1.00 21.24 ATOM 803 HD22 LEU 51 -9.020 33.500 -0.472 1.00 71.13 ATOM 804 HD23 LEU 51 -9.057 31.981 0.427 1.00 11.45 ATOM 805 C LEU 51 -5.195 31.115 -2.553 1.00 33.03 ATOM 806 O LEU 51 -4.940 30.390 -1.590 1.00 74.22 ATOM 807 N LEU 52 -5.363 30.648 -3.785 1.00 13.01 ATOM 808 HN LEU 52 -5.587 31.265 -4.518 1.00 36.16 ATOM 809 CA LEU 52 -5.255 29.224 -4.085 1.00 54.50 ATOM 810 HA LEU 52 -5.849 28.697 -3.368 1.00 54.44 ATOM 811 CB LEU 52 -5.795 28.936 -5.487 1.00 14.31 ATOM 812 HB1 LEU 52 -5.548 27.919 -5.747 1.00 36.16 ATOM 813 HB2 LEU 52 -5.277 29.594 -6.174 1.00 4.53 ATOM 814 CG LEU 52 -7.300 29.127 -5.679 1.00 34.12 ATOM 815 HG LEU 52 -7.589 30.089 -5.281 1.00 62.52 ATOM 816 CD1 LEU 52 -7.657 29.107 -7.157 1.00 42.31 ATOM 817 HD11 LEU 52 -7.392 28.150 -7.585 1.00 0.23 ATOM 818 HD12 LEU 52 -7.117 29.891 -7.671 1.00 20.22 ATOM 819 HD13 LEU 52 -8.719 29.271 -7.276 1.00 61.35 ATOM 820 CD2 LEU 52 -8.074 28.053 -4.927 1.00 50.25 ATOM 821 HD21 LEU 52 -7.703 27.074 -5.200 1.00 11.13 ATOM 822 HD22 LEU 52 -9.116 28.119 -5.187 1.00 63.01 ATOM 823 HD23 LEU 52 -7.953 28.200 -3.865 1.00 1.14 ATOM 824 C LEU 52 -3.809 28.754 -3.978 1.00 65.43 ATOM 825 O LEU 52 -3.531 27.688 -3.429 1.00 72.23 ATOM 826 N ALA 53 -2.890 29.557 -4.505 1.00 60.43 ATOM 827 HN ALA 53 -3.168 30.401 -4.933 1.00 36.16 ATOM 828 CA ALA 53 -1.471 29.224 -4.465 1.00 53.25 ATOM 829 HA ALA 53 -1.361 28.153 -4.594 1.00 52.43 ATOM 830 CB ALA 53 -0.738 29.904 -5.612 1.00 64.21 ATOM 831 HB1 ALA 53 -0.806 30.977 -5.502 1.00 31.20 ATOM 832 HB2 ALA 53 -1.190 29.612 -6.548 1.00 10.14 ATOM 833 HB3 ALA 53 0.301 29.606 -5.608 1.00 44.42 ATOM 834 C ALA 53 -0.852 29.621 -3.130 1.00 21.34 ATOM 835 O ALA 53 0.154 29.050 -2.707 1.00 72.23 ATOM 836 N ARG 54 -1.458 30.602 -2.470 1.00 10.14 ATOM 837 HN ARG 54 -2.250 31.035 -2.861 1.00 36.16 ATOM 838 CA ARG 54 -0.964 31.076 -1.182 1.00 72.03 ATOM 839 HA ARG 54 0.080 31.339 -1.301 1.00 45.25 ATOM 840 CB ARG 54 -1.755 32.305 -0.730 1.00 21.12 ATOM 841 HB1 ARG 54 -1.990 32.202 0.324 1.00 36.16 ATOM 842 HB2 ARG 54 -2.679 32.362 -1.274 1.00 54.24 ATOM 843 CG ARG 54 -1.007 33.614 -0.921 1.00 54.53 ATOM 844 HG1 ARG 54 -1.181 33.964 -1.929 1.00 36.16 ATOM 845 HG2 ARG 54 0.054 33.450 -0.780 1.00 10.23 ATOM 846 CD ARG 54 -1.486 34.677 0.056 1.00 63.10 ATOM 847 HD1 ARG 54 -2.265 34.282 0.697 1.00 36.16 ATOM 848 HD2 ARG 54 -1.891 35.490 -0.528 1.00 13.41 ATOM 849 NE ARG 54 -0.399 35.181 0.891 1.00 10.23 ATOM 850 HE ARG 54 0.409 34.625 0.984 1.00 53.34 ATOM 851 CZ ARG 54 -0.446 36.341 1.537 1.00 31.02 ATOM 852 NH1 ARG 54 -1.521 37.112 1.445 1.00 63.03 ATOM 853 HH11 ARG 54 -2.312 36.846 0.901 1.00 31.20 ATOM 854 HH12 ARG 54 -1.543 37.987 1.934 1.00 11.31 ATOM 855 NH2 ARG 54 0.583 36.731 2.278 1.00 2.32 ATOM 856 HH21 ARG 54 1.398 36.153 2.353 1.00 31.35 ATOM 857 HH22 ARG 54 0.550 37.606 2.766 1.00 51.23 ATOM 858 C ARG 54 -1.060 29.979 -0.126 1.00 60.00 ATOM 859 O ARG 54 -0.180 29.844 0.725 1.00 73.12 ATOM 860 N TYR 55 -2.133 29.199 -0.187 1.00 33.23 ATOM 861 HN TYR 55 -2.811 29.346 -0.887 1.00 36.16 ATOM 862 CA TYR 55 -2.346 28.116 0.766 1.00 23.31 ATOM 863 HA TYR 55 -1.682 28.271 1.609 1.00 5.33 ATOM 864 CB TYR 55 -3.789 28.129 1.271 1.00 34.35 ATOM 865 HB1 TYR 55 -4.043 27.166 1.697 1.00 36.16 ATOM 866 HB2 TYR 55 -4.449 28.314 0.433 1.00 34.34 ATOM 867 CG TYR 55 -4.057 29.193 2.312 1.00 52.05 ATOM 868 CD1 TYR 55 -4.185 28.863 3.655 1.00 0.10 ATOM 869 HD1 TYR 55 -4.078 27.835 3.957 1.00 24.42 ATOM 870 CD2 TYR 55 -4.182 30.529 1.950 1.00 5.14 ATOM 871 HD2 TYR 55 -4.086 30.806 0.909 1.00 62.12 ATOM 872 CE1 TYR 55 -4.431 29.832 4.608 1.00 5.23 ATOM 873 HE1 TYR 55 -4.527 29.555 5.647 1.00 73.31 ATOM 874 CE2 TYR 55 -4.426 31.505 2.897 1.00 4.22 ATOM 875 HE2 TYR 55 -4.519 32.538 2.596 1.00 33.52 ATOM 876 CZ TYR 55 -4.550 31.152 4.225 1.00 62.34 ATOM 877 OH TYR 55 -4.793 32.120 5.171 1.00 1.24 ATOM 878 HH TYR 55 -3.998 32.276 5.691 1.00 42.21 ATOM 879 C TYR 55 -2.029 26.764 0.134 1.00 64.02 ATOM 880 O TYR 55 -2.046 26.601 -1.086 1.00 63.04 ATOM 881 N PRO 56 -1.732 25.769 0.984 1.00 53.53 ATOM 882 CA PRO 56 -1.407 24.413 0.533 1.00 44.35 ATOM 883 HA PRO 56 -0.609 24.418 -0.196 1.00 4.34 ATOM 884 CB PRO 56 -0.930 23.719 1.811 1.00 43.22 ATOM 885 HB1 PRO 56 0.144 23.807 1.879 1.00 36.16 ATOM 886 HB2 PRO 56 -1.201 22.671 1.817 1.00 43.25 ATOM 887 CG PRO 56 -1.591 24.466 2.917 1.00 51.31 ATOM 888 HG1 PRO 56 -0.989 24.407 3.812 1.00 36.16 ATOM 889 HG2 PRO 56 -2.575 24.059 3.098 1.00 35.10 ATOM 890 CD PRO 56 -1.693 25.892 2.451 1.00 41.34 ATOM 891 HD1 PRO 56 -0.826 26.454 2.768 1.00 36.16 ATOM 892 HD2 PRO 56 -2.589 26.336 2.840 1.00 72.31 ATOM 893 C PRO 56 -2.617 23.689 -0.047 1.00 63.12 ATOM 894 O PRO 56 -3.229 22.851 0.617 1.00 43.30 ATOM 895 N LEU 57 -2.957 24.016 -1.289 1.00 61.30 ATOM 896 HN LEU 57 -2.428 24.687 -1.780 1.00 36.16 ATOM 897 CA LEU 57 -4.095 23.395 -1.959 1.00 44.30 ATOM 898 HA LEU 57 -4.636 22.793 -1.249 1.00 24.11 ATOM 899 CB LEU 57 -5.043 24.469 -2.496 1.00 61.20 ATOM 900 HB1 LEU 57 -5.921 23.978 -2.895 1.00 36.16 ATOM 901 HB2 LEU 57 -4.540 24.991 -3.295 1.00 43.25 ATOM 902 CG LEU 57 -5.497 25.527 -1.490 1.00 40.32 ATOM 903 HG LEU 57 -4.645 26.123 -1.195 1.00 75.41 ATOM 904 CD1 LEU 57 -6.523 26.456 -2.120 1.00 12.42 ATOM 905 HD11 LEU 57 -6.738 27.273 -1.451 1.00 65.40 ATOM 906 HD12 LEU 57 -7.425 25.906 -2.323 1.00 63.24 ATOM 907 HD13 LEU 57 -6.135 26.840 -3.046 1.00 62.15 ATOM 908 CD2 LEU 57 -6.066 24.868 -0.243 1.00 33.15 ATOM 909 HD21 LEU 57 -5.298 24.293 0.252 1.00 33.21 ATOM 910 HD22 LEU 57 -6.884 24.216 -0.515 1.00 23.31 ATOM 911 HD23 LEU 57 -6.429 25.629 0.436 1.00 50.14 ATOM 912 C LEU 57 -3.630 22.494 -3.099 1.00 13.50 ATOM 913 O LEU 57 -2.744 22.859 -3.872 1.00 4.11 ATOM 914 N THR 58 -4.237 21.316 -3.200 1.00 23.44 ATOM 915 HN THR 58 -4.915 21.063 -2.543 1.00 36.16 ATOM 916 CA THR 58 -3.887 20.363 -4.245 1.00 63.24 ATOM 917 HA THR 58 -2.913 20.618 -4.653 1.00 70.44 ATOM 918 CB THR 58 -3.807 18.927 -3.693 1.00 71.04 ATOM 919 HB THR 58 -3.693 18.230 -4.515 1.00 61.50 ATOM 920 OG1 THR 58 -5.005 18.611 -2.976 1.00 33.21 ATOM 921 HG1 THR 58 -5.577 18.063 -3.520 1.00 60.03 ATOM 922 CG2 THR 58 -2.604 18.765 -2.777 1.00 44.51 ATOM 923 HG21 THR 58 -1.698 18.974 -3.328 1.00 1.24 ATOM 924 HG22 THR 58 -2.571 17.752 -2.405 1.00 55.42 ATOM 925 HG23 THR 58 -2.687 19.450 -1.945 1.00 32.04 ATOM 926 C THR 58 -4.898 20.402 -5.385 1.00 70.43 ATOM 927 O THR 58 -5.907 21.102 -5.308 1.00 62.20 ATOM 928 N GLU 59 -4.621 19.644 -6.442 1.00 40.11 ATOM 929 HN GLU 59 -3.787 19.116 -6.454 1.00 36.16 ATOM 930 CA GLU 59 -5.508 19.593 -7.598 1.00 52.12 ATOM 931 HA GLU 59 -5.515 20.574 -8.055 1.00 42.23 ATOM 932 CB GLU 59 -5.005 18.561 -8.610 1.00 11.31 ATOM 933 HB1 GLU 59 -5.853 18.143 -9.145 1.00 36.16 ATOM 934 HB2 GLU 59 -4.504 17.761 -8.081 1.00 20.54 ATOM 935 CG GLU 59 -4.035 19.132 -9.630 1.00 45.21 ATOM 936 HG1 GLU 59 -3.041 19.116 -9.208 1.00 36.16 ATOM 937 HG2 GLU 59 -4.311 20.153 -9.859 1.00 4.31 ATOM 938 CD GLU 59 -4.020 18.345 -10.926 1.00 31.21 ATOM 939 OE1 GLU 59 -3.313 17.317 -10.987 1.00 32.22 ATOM 940 OE2 GLU 59 -4.715 18.756 -11.879 1.00 24.05 ATOM 941 C GLU 59 -6.934 19.253 -7.175 1.00 54.30 ATOM 942 O GLU 59 -7.899 19.648 -7.831 1.00 5.15 ATOM 943 N SER 60 -7.060 18.518 -6.075 1.00 25.30 ATOM 944 HN SER 60 -6.261 18.188 -5.608 1.00 36.16 ATOM 945 CA SER 60 -8.367 18.120 -5.566 1.00 1.32 ATOM 946 HA SER 60 -9.006 17.879 -6.407 1.00 52.33 ATOM 947 CB SER 60 -8.238 16.877 -4.683 1.00 44.41 ATOM 948 HB1 SER 60 -7.765 16.087 -5.248 1.00 36.16 ATOM 949 HB2 SER 60 -9.220 16.554 -4.366 1.00 65.32 ATOM 950 OG SER 60 -7.453 17.147 -3.534 1.00 54.40 ATOM 951 HG SER 60 -7.386 16.353 -2.998 1.00 52.24 ATOM 952 C SER 60 -9.010 19.255 -4.775 1.00 3.34 ATOM 953 O SER 60 -10.222 19.457 -4.833 1.00 33.20 ATOM 954 N GLN 61 -8.187 19.993 -4.036 1.00 12.12 ATOM 955 HN GLN 61 -7.224 19.782 -4.018 1.00 36.16 ATOM 956 CA GLN 61 -8.675 21.107 -3.232 1.00 51.51 ATOM 957 HA GLN 61 -9.563 20.784 -2.702 1.00 20.23 ATOM 958 CB GLN 61 -7.620 21.525 -2.207 1.00 25.13 ATOM 959 HB1 GLN 61 -8.005 22.367 -1.643 1.00 36.16 ATOM 960 HB2 GLN 61 -6.733 21.837 -2.731 1.00 51.30 ATOM 961 CG GLN 61 -7.247 20.419 -1.232 1.00 54.31 ATOM 962 HG1 GLN 61 -6.443 19.848 -1.651 1.00 36.16 ATOM 963 HG2 GLN 61 -8.093 19.772 -1.080 1.00 31.44 ATOM 964 CD GLN 61 -6.800 20.954 0.114 1.00 11.00 ATOM 965 OE1 GLN 61 -5.658 21.385 0.275 1.00 10.33 ATOM 966 NE2 GLN 61 -7.700 20.929 1.090 1.00 31.11 ATOM 967 HE21 GLN 61 -8.599 20.573 0.905 1.00 32.11 ATOM 968 HE22 GLN 61 -7.429 21.271 1.968 1.00 22.45 ATOM 969 C GLN 61 -9.042 22.296 -4.115 1.00 24.02 ATOM 970 O GLN 61 -10.160 22.809 -4.051 1.00 4.02 ATOM 971 N LEU 62 -8.093 22.730 -4.938 1.00 34.40 ATOM 972 HN LEU 62 -7.222 22.274 -4.946 1.00 36.16 ATOM 973 CA LEU 62 -8.316 23.859 -5.834 1.00 71.34 ATOM 974 HA LEU 62 -8.444 24.745 -5.228 1.00 72.30 ATOM 975 CB LEU 62 -7.110 24.049 -6.756 1.00 10.42 ATOM 976 HB1 LEU 62 -7.444 24.604 -7.628 1.00 36.16 ATOM 977 HB2 LEU 62 -6.789 23.071 -7.097 1.00 42.10 ATOM 978 CG LEU 62 -5.915 24.790 -6.153 1.00 75.32 ATOM 979 HG LEU 62 -6.245 25.401 -5.322 1.00 40.13 ATOM 980 CD1 LEU 62 -4.888 23.802 -5.621 1.00 54.24 ATOM 981 HD11 LEU 62 -4.568 23.142 -6.416 1.00 12.32 ATOM 982 HD12 LEU 62 -5.335 23.231 -4.840 1.00 21.24 ATOM 983 HD13 LEU 62 -4.034 24.339 -5.237 1.00 12.30 ATOM 984 CD2 LEU 62 -5.285 25.714 -7.185 1.00 32.11 ATOM 985 HD21 LEU 62 -6.022 26.423 -7.534 1.00 52.35 ATOM 986 HD22 LEU 62 -4.922 25.134 -8.022 1.00 63.43 ATOM 987 HD23 LEU 62 -4.460 26.250 -6.736 1.00 61.55 ATOM 988 C LEU 62 -9.578 23.653 -6.666 1.00 12.21 ATOM 989 O LEU 62 -10.314 24.601 -6.940 1.00 20.20 ATOM 990 N ALA 63 -9.823 22.409 -7.063 1.00 31.44 ATOM 991 HN ALA 63 -9.190 21.689 -6.830 1.00 36.16 ATOM 992 CA ALA 63 -10.998 22.078 -7.859 1.00 34.01 ATOM 993 HA ALA 63 -10.959 22.653 -8.775 1.00 30.42 ATOM 994 CB ALA 63 -10.986 20.603 -8.231 1.00 23.31 ATOM 995 HB1 ALA 63 -10.080 20.379 -8.774 1.00 54.24 ATOM 996 HB2 ALA 63 -11.841 20.377 -8.854 1.00 63.34 ATOM 997 HB3 ALA 63 -11.024 20.001 -7.334 1.00 63.32 ATOM 998 C ALA 63 -12.282 22.427 -7.114 1.00 33.43 ATOM 999 O ALA 63 -13.291 22.782 -7.726 1.00 24.24 ATOM 1000 N LEU 64 -12.239 22.322 -5.790 1.00 53.31 ATOM 1001 HN LEU 64 -11.417 22.020 -5.350 1.00 36.16 ATOM 1002 CA LEU 64 -13.400 22.626 -4.961 1.00 13.24 ATOM 1003 HA LEU 64 -14.297 22.353 -5.505 1.00 41.23 ATOM 1004 CB LEU 64 -13.354 21.813 -3.666 1.00 62.51 ATOM 1005 HB1 LEU 64 -12.404 22.028 -3.196 1.00 36.16 ATOM 1006 HB2 LEU 64 -13.353 20.763 -3.938 1.00 2.04 ATOM 1007 CG LEU 64 -14.483 22.074 -2.668 1.00 63.33 ATOM 1008 HG LEU 64 -14.947 23.030 -2.861 1.00 10.41 ATOM 1009 CD1 LEU 64 -15.568 21.017 -2.802 1.00 31.13 ATOM 1010 HD11 LEU 64 -15.284 20.112 -2.280 1.00 11.23 ATOM 1011 HD12 LEU 64 -15.730 20.786 -3.848 1.00 62.11 ATOM 1012 HD13 LEU 64 -16.481 21.400 -2.392 1.00 42.23 ATOM 1013 CD2 LEU 64 -13.941 22.108 -1.247 1.00 22.33 ATOM 1014 HD21 LEU 64 -14.211 21.207 -0.717 1.00 52.12 ATOM 1015 HD22 LEU 64 -14.373 22.951 -0.732 1.00 62.24 ATOM 1016 HD23 LEU 64 -12.864 22.215 -1.239 1.00 32.01 ATOM 1017 C LEU 64 -13.463 24.115 -4.637 1.00 13.44 ATOM 1018 O LEU 64 -14.517 24.742 -4.748 1.00 72.32 ATOM 1019 N VAL 65 -12.327 24.677 -4.237 1.00 0.43 ATOM 1020 HN VAL 65 -11.515 24.124 -4.182 1.00 36.16 ATOM 1021 CA VAL 65 -12.252 26.094 -3.900 1.00 22.02 ATOM 1022 HA VAL 65 -12.882 26.269 -3.040 1.00 54.12 ATOM 1023 CB VAL 65 -10.813 26.510 -3.540 1.00 32.35 ATOM 1024 HB VAL 65 -10.181 26.344 -4.402 1.00 44.41 ATOM 1025 CG1 VAL 65 -10.757 27.988 -3.185 1.00 72.21 ATOM 1026 HG11 VAL 65 -10.912 28.564 -4.074 1.00 70.13 ATOM 1027 HG12 VAL 65 -9.791 28.233 -2.769 1.00 71.32 ATOM 1028 HG13 VAL 65 -11.522 28.225 -2.464 1.00 23.45 ATOM 1029 CG2 VAL 65 -10.284 25.658 -2.396 1.00 3.25 ATOM 1030 HG21 VAL 65 -9.377 26.087 -2.010 1.00 74.11 ATOM 1031 HG22 VAL 65 -10.077 24.668 -2.745 1.00 44.04 ATOM 1032 HG23 VAL 65 -11.017 25.612 -1.601 1.00 4.12 ATOM 1033 C VAL 65 -12.746 26.960 -5.053 1.00 43.12 ATOM 1034 O VAL 65 -13.253 28.062 -4.843 1.00 21.15 ATOM 1035 N ARG 66 -12.594 26.454 -6.273 1.00 13.22 ATOM 1036 HN ARG 66 -12.146 25.587 -6.395 1.00 36.16 ATOM 1037 CA ARG 66 -13.024 27.182 -7.461 1.00 13.04 ATOM 1038 HA ARG 66 -12.709 28.215 -7.363 1.00 71.34 ATOM 1039 CB ARG 66 -12.383 26.581 -8.713 1.00 13.11 ATOM 1040 HB1 ARG 66 -12.986 26.841 -9.578 1.00 36.16 ATOM 1041 HB2 ARG 66 -12.363 25.504 -8.616 1.00 63.31 ATOM 1042 CG ARG 66 -10.962 27.060 -8.959 1.00 51.34 ATOM 1043 HG1 ARG 66 -10.282 26.446 -8.396 1.00 36.16 ATOM 1044 HG2 ARG 66 -10.864 28.089 -8.636 1.00 50.43 ATOM 1045 CD ARG 66 -10.592 26.973 -10.432 1.00 32.32 ATOM 1046 HD1 ARG 66 -11.087 26.123 -10.886 1.00 36.16 ATOM 1047 HD2 ARG 66 -9.522 26.837 -10.504 1.00 61.41 ATOM 1048 NE ARG 66 -10.958 28.184 -11.161 1.00 72.21 ATOM 1049 HE ARG 66 -11.413 28.904 -10.663 1.00 21.35 ATOM 1050 CZ ARG 66 -10.712 28.366 -12.454 1.00 35.22 ATOM 1051 NH1 ARG 66 -10.104 27.420 -13.156 1.00 1.01 ATOM 1052 HH11 ARG 66 -9.821 26.560 -12.733 1.00 4.21 ATOM 1053 HH12 ARG 66 -9.922 27.565 -14.131 1.00 51.15 ATOM 1054 NH2 ARG 66 -11.076 29.496 -13.047 1.00 32.31 ATOM 1055 HH21 ARG 66 -11.537 30.215 -12.522 1.00 34.11 ATOM 1056 HH22 ARG 66 -10.891 29.636 -14.022 1.00 23.25 ATOM 1057 C ARG 66 -14.544 27.158 -7.593 1.00 33.45 ATOM 1058 O ARG 66 -15.164 28.165 -7.934 1.00 0.34 ATOM 1059 N ASP 67 -15.138 26.001 -7.321 1.00 21.33 ATOM 1060 HN ASP 67 -14.590 25.222 -7.062 1.00 36.16 ATOM 1061 CA ASP 67 -16.585 25.845 -7.408 1.00 72.24 ATOM 1062 HA ASP 67 -16.896 26.176 -8.393 1.00 11.45 ATOM 1063 CB ASP 67 -16.973 24.376 -7.228 1.00 13.52 ATOM 1064 HB1 ASP 67 -16.950 24.114 -6.178 1.00 36.16 ATOM 1065 HB2 ASP 67 -16.261 23.757 -7.758 1.00 43.32 ATOM 1066 CG ASP 67 -18.356 24.072 -7.770 1.00 11.34 ATOM 1067 OD1 ASP 67 -18.481 23.135 -8.586 1.00 31.14 ATOM 1068 OD2 ASP 67 -19.314 24.771 -7.377 1.00 64.00 ATOM 1069 C ASP 67 -17.289 26.702 -6.361 1.00 4.21 ATOM 1070 O ASP 67 -18.270 27.383 -6.659 1.00 75.23 ATOM 1071 N ILE 68 -16.781 26.663 -5.134 1.00 5.33 ATOM 1072 HN ILE 68 -15.982 26.115 -4.967 1.00 36.16 ATOM 1073 CA ILE 68 -17.360 27.437 -4.043 1.00 32.44 ATOM 1074 HA ILE 68 -18.346 27.039 -3.839 1.00 72.24 ATOM 1075 CB ILE 68 -16.514 27.324 -2.761 1.00 21.42 ATOM 1076 HB ILE 68 -15.528 27.720 -2.971 1.00 15.13 ATOM 1077 CG1 ILE 68 -16.388 25.860 -2.334 1.00 72.30 ATOM 1078 HG11 ILE 68 -16.159 25.238 -3.177 1.00 36.16 ATOM 1079 HG12 ILE 68 -17.325 25.528 -1.910 1.00 14.34 ATOM 1080 CG2 ILE 68 -17.129 28.155 -1.645 1.00 43.42 ATOM 1081 HG21 ILE 68 -18.166 27.877 -1.511 1.00 20.33 ATOM 1082 HG22 ILE 68 -17.068 29.204 -1.889 1.00 23.12 ATOM 1083 HG23 ILE 68 -16.598 27.988 -0.721 1.00 20.35 ATOM 1084 CD1 ILE 68 -15.313 25.623 -1.297 1.00 31.14 ATOM 1085 HD11 ILE 68 -15.188 26.488 -0.663 1.00 33.02 ATOM 1086 HD12 ILE 68 -14.381 25.406 -1.792 1.00 2.14 ATOM 1087 HD13 ILE 68 -15.594 24.777 -0.688 1.00 42.01 ATOM 1088 C ILE 68 -17.494 28.908 -4.422 1.00 32.51 ATOM 1089 O ILE 68 -18.460 29.571 -4.045 1.00 33.23 ATOM 1090 N ARG 69 -16.519 29.411 -5.172 1.00 31.23 ATOM 1091 HN ARG 69 -15.763 28.837 -5.440 1.00 36.16 ATOM 1092 CA ARG 69 -16.528 30.803 -5.603 1.00 52.41 ATOM 1093 HA ARG 69 -16.745 31.420 -4.742 1.00 53.34 ATOM 1094 CB ARG 69 -15.158 31.196 -6.159 1.00 53.21 ATOM 1095 HB1 ARG 69 -14.986 30.669 -7.090 1.00 36.16 ATOM 1096 HB2 ARG 69 -14.402 30.891 -5.457 1.00 41.34 ATOM 1097 CG ARG 69 -15.003 32.689 -6.397 1.00 1.41 ATOM 1098 HG1 ARG 69 -13.971 32.960 -6.225 1.00 36.16 ATOM 1099 HG2 ARG 69 -15.632 33.237 -5.706 1.00 64.35 ATOM 1100 CD ARG 69 -15.389 33.070 -7.818 1.00 4.33 ATOM 1101 HD1 ARG 69 -15.791 34.068 -7.801 1.00 36.16 ATOM 1102 HD2 ARG 69 -16.141 32.395 -8.185 1.00 14.03 ATOM 1103 NE ARG 69 -14.241 33.050 -8.721 1.00 21.04 ATOM 1104 HE ARG 69 -13.347 33.086 -8.328 1.00 55.45 ATOM 1105 CZ ARG 69 -14.348 33.005 -10.044 1.00 4.21 ATOM 1106 NH1 ARG 69 -15.544 32.977 -10.615 1.00 63.33 ATOM 1107 HH11 ARG 69 -16.382 32.993 -10.077 1.00 63.42 ATOM 1108 HH12 ARG 69 -15.612 32.939 -11.614 1.00 53.20 ATOM 1109 NH2 ARG 69 -13.256 32.989 -10.799 1.00 13.34 ATOM 1110 HH21 ARG 69 -12.349 33.011 -10.373 1.00 61.04 ATOM 1111 HH22 ARG 69 -13.334 32.955 -11.798 1.00 44.51 ATOM 1112 C ARG 69 -17.604 31.038 -6.659 1.00 52.32 ATOM 1113 O ARG 69 -18.470 31.898 -6.497 1.00 12.14 ATOM 1114 N ARG 70 -17.542 30.269 -7.741 1.00 32.10 ATOM 1115 HN ARG 70 -16.820 29.599 -7.815 1.00 36.16 ATOM 1116 CA ARG 70 -18.510 30.394 -8.824 1.00 42.43 ATOM 1117 HA ARG 70 -18.372 31.363 -9.278 1.00 44.02 ATOM 1118 CB ARG 70 -18.273 29.310 -9.877 1.00 24.12 ATOM 1119 HB1 ARG 70 -18.319 28.344 -9.394 1.00 36.16 ATOM 1120 HB2 ARG 70 -17.284 29.439 -10.297 1.00 10.13 ATOM 1121 CG ARG 70 -19.291 29.323 -11.005 1.00 43.22 ATOM 1122 HG1 ARG 70 -20.294 29.330 -10.608 1.00 36.16 ATOM 1123 HG2 ARG 70 -19.154 28.430 -11.596 1.00 55.14 ATOM 1124 CD ARG 70 -19.102 30.529 -11.912 1.00 4.31 ATOM 1125 HD1 ARG 70 -18.215 30.378 -12.509 1.00 36.16 ATOM 1126 HD2 ARG 70 -18.980 31.414 -11.304 1.00 34.13 ATOM 1127 NE ARG 70 -20.242 30.729 -12.802 1.00 51.10 ATOM 1128 HE ARG 70 -20.906 30.004 -12.871 1.00 21.14 ATOM 1129 CZ ARG 70 -20.428 31.829 -13.523 1.00 11.44 ATOM 1130 NH1 ARG 70 -19.553 32.824 -13.459 1.00 32.55 ATOM 1131 HH11 ARG 70 -18.744 32.772 -12.879 1.00 41.00 ATOM 1132 HH12 ARG 70 -19.704 33.651 -14.005 1.00 61.41 ATOM 1133 NH2 ARG 70 -21.491 31.937 -14.310 1.00 21.32 ATOM 1134 HH21 ARG 70 -22.156 31.190 -14.363 1.00 15.22 ATOM 1135 HH22 ARG 70 -21.633 32.766 -14.855 1.00 51.04 ATOM 1136 C ARG 70 -19.937 30.299 -8.293 1.00 22.25 ATOM 1137 O ARG 70 -20.778 31.148 -8.587 1.00 3.42 ATOM 1138 N ARG 71 -20.202 29.259 -7.509 1.00 32.22 ATOM 1139 HN ARG 71 -19.486 28.610 -7.311 1.00 36.16 ATOM 1140 CA ARG 71 -21.527 29.051 -6.938 1.00 14.14 ATOM 1141 HA ARG 71 -22.226 28.944 -7.754 1.00 3.42 ATOM 1142 CB ARG 71 -21.542 27.787 -6.076 1.00 13.43 ATOM 1143 HB1 ARG 71 -22.343 27.849 -5.346 1.00 36.16 ATOM 1144 HB2 ARG 71 -20.602 27.715 -5.546 1.00 13.11 ATOM 1145 CG ARG 71 -21.728 26.508 -6.874 1.00 61.53 ATOM 1146 HG1 ARG 71 -21.506 25.665 -6.236 1.00 36.16 ATOM 1147 HG2 ARG 71 -21.051 26.510 -7.716 1.00 42.14 ATOM 1148 CD ARG 71 -23.153 26.373 -7.388 1.00 42.20 ATOM 1149 HD1 ARG 71 -23.194 25.530 -8.063 1.00 36.16 ATOM 1150 HD2 ARG 71 -23.419 27.270 -7.927 1.00 43.22 ATOM 1151 NE ARG 71 -24.107 26.153 -6.304 1.00 41.34 ATOM 1152 HE ARG 71 -23.750 25.910 -5.417 1.00 64.54 ATOM 1153 CZ ARG 71 -25.423 26.258 -6.451 1.00 61.14 ATOM 1154 NH1 ARG 71 -25.938 26.577 -7.631 1.00 33.04 ATOM 1155 HH11 ARG 71 -25.360 26.741 -8.427 1.00 33.35 ATOM 1156 HH12 ARG 71 -26.932 26.656 -7.730 1.00 23.10 ATOM 1157 NH2 ARG 71 -26.226 26.043 -5.418 1.00 34.44 ATOM 1158 HH21 ARG 71 -25.843 25.801 -4.524 1.00 65.42 ATOM 1159 HH22 ARG 71 -27.219 26.122 -5.526 1.00 75.42 ATOM 1160 C ARG 71 -21.954 30.255 -6.102 1.00 70.42 ATOM 1161 O ARG 71 -23.038 30.804 -6.295 1.00 22.04 ATOM 1162 N GLY 72 -21.093 30.659 -5.173 1.00 32.43 ATOM 1163 HN GLY 72 -20.237 30.188 -5.056 1.00 36.16 ATOM 1164 CA GLY 72 -21.399 31.793 -4.322 1.00 11.55 ATOM 1165 HA1 GLY 72 -20.570 31.957 -3.655 1.00 36.16 ATOM 1166 HA2 GLY 72 -22.279 31.568 -3.734 1.00 2.23 ATOM 1167 C GLY 72 -21.648 33.062 -5.113 1.00 63.14 ATOM 1168 O GLY 72 -22.291 33.992 -4.626 1.00 31.51 ATOM 1169 N LYS 73 -21.135 33.102 -6.339 1.00 14.43 ATOM 1170 HN LYS 73 -20.586 32.364 -6.669 1.00 36.16 ATOM 1171 CA LYS 73 -21.304 34.266 -7.201 1.00 11.00 ATOM 1172 HA LYS 73 -21.431 35.143 -6.574 1.00 21.51 ATOM 1173 CB LYS 73 -20.066 34.460 -8.079 1.00 62.30 ATOM 1174 HB1 LYS 73 -20.174 33.893 -8.997 1.00 36.16 ATOM 1175 HB2 LYS 73 -19.201 34.086 -7.543 1.00 65.53 ATOM 1176 CG LYS 73 -19.797 35.910 -8.440 1.00 52.34 ATOM 1177 HG1 LYS 73 -19.720 36.492 -7.531 1.00 36.16 ATOM 1178 HG2 LYS 73 -20.628 36.275 -9.027 1.00 53.13 ATOM 1179 CD LYS 73 -18.525 36.055 -9.259 1.00 31.22 ATOM 1180 HD1 LYS 73 -18.629 36.915 -9.905 1.00 36.16 ATOM 1181 HD2 LYS 73 -18.370 35.171 -9.866 1.00 70.02 ATOM 1182 CE LYS 73 -17.310 36.261 -8.368 1.00 43.40 ATOM 1183 HE1 LYS 73 -16.422 36.059 -8.948 1.00 36.16 ATOM 1184 HE2 LYS 73 -17.353 35.574 -7.533 1.00 30.21 ATOM 1185 NZ LYS 73 -17.235 37.654 -7.846 1.00 31.12 ATOM 1186 HZ1 LYS 73 -18.071 37.871 -7.265 1.00 62.32 ATOM 1187 HZ2 LYS 73 -17.187 38.334 -8.633 1.00 64.53 ATOM 1188 HZ3 LYS 73 -16.384 37.766 -7.259 1.00 43.41 ATOM 1189 C LYS 73 -22.544 34.119 -8.077 1.00 62.45 ATOM 1190 O LYS 73 -23.135 35.109 -8.504 1.00 13.55 ATOM 1191 N ASN 74 -22.932 32.875 -8.341 1.00 41.13 ATOM 1192 HN ASN 74 -22.404 32.118 -8.009 1.00 36.16 ATOM 1193 CA ASN 74 -24.102 32.599 -9.166 1.00 72.44 ATOM 1194 HA ASN 74 -23.879 32.932 -10.171 1.00 33.11 ATOM 1195 CB ASN 74 -24.397 31.097 -9.184 1.00 2.35 ATOM 1196 HB1 ASN 74 -24.881 30.807 -8.259 1.00 36.16 ATOM 1197 HB2 ASN 74 -23.461 30.561 -9.268 1.00 53.05 ATOM 1198 CG ASN 74 -25.292 30.697 -10.340 1.00 70.13 ATOM 1199 OD1 ASN 74 -26.325 31.320 -10.585 1.00 41.41 ATOM 1200 ND2 ASN 74 -24.899 29.651 -11.058 1.00 43.22 ATOM 1201 HD21 ASN 74 -24.065 29.188 -10.818 1.00 23.20 ATOM 1202 HD22 ASN 74 -25.465 29.378 -11.810 1.00 53.23 ATOM 1203 C ASN 74 -25.321 33.361 -8.655 1.00 43.54 ATOM 1204 O ASN 74 -26.196 33.747 -9.431 1.00 1.23 ATOM 1205 N LYS 75 -25.370 33.576 -7.345 1.00 54.52 ATOM 1206 HN LYS 75 -24.668 33.210 -6.760 1.00 36.16 ATOM 1207 CA LYS 75 -26.479 34.295 -6.729 1.00 35.22 ATOM 1208 HA LYS 75 -27.400 33.843 -7.068 1.00 72.01 ATOM 1209 CB LYS 75 -26.402 34.183 -5.204 1.00 41.34 ATOM 1210 HB1 LYS 75 -25.502 34.676 -4.861 1.00 36.16 ATOM 1211 HB2 LYS 75 -26.345 33.137 -4.934 1.00 34.23 ATOM 1212 CG LYS 75 -27.586 34.810 -4.488 1.00 25.22 ATOM 1213 HG1 LYS 75 -27.777 35.795 -4.888 1.00 36.16 ATOM 1214 HG2 LYS 75 -27.341 34.906 -3.439 1.00 73.12 ATOM 1215 CD LYS 75 -28.840 33.967 -4.642 1.00 15.01 ATOM 1216 HD1 LYS 75 -28.865 33.502 -5.617 1.00 36.16 ATOM 1217 HD2 LYS 75 -29.700 34.612 -4.539 1.00 13.14 ATOM 1218 CE LYS 75 -28.918 32.883 -3.577 1.00 53.43 ATOM 1219 HE1 LYS 75 -27.941 32.437 -3.438 1.00 36.16 ATOM 1220 HE2 LYS 75 -29.609 32.124 -3.913 1.00 33.50 ATOM 1221 NZ LYS 75 -29.398 33.420 -2.274 1.00 33.03 ATOM 1222 HZ1 LYS 75 -28.748 34.153 -1.922 1.00 75.20 ATOM 1223 HZ2 LYS 75 -29.446 32.655 -1.572 1.00 12.21 ATOM 1224 HZ3 LYS 75 -30.348 33.834 -2.381 1.00 33.12 ATOM 1225 C LYS 75 -26.474 35.763 -7.143 1.00 20.14 ATOM 1226 O LYS 75 -27.529 36.366 -7.341 1.00 45.32 ATOM 1227 N VAL 76 -25.280 36.332 -7.272 1.00 43.14 ATOM 1228 HN VAL 76 -24.471 35.799 -7.111 1.00 36.16 ATOM 1229 CA VAL 76 -25.137 37.729 -7.665 1.00 72.14 ATOM 1230 HA VAL 76 -25.806 38.325 -7.052 1.00 33.11 ATOM 1231 CB VAL 76 -23.700 38.232 -7.437 1.00 3.44 ATOM 1232 HB VAL 76 -23.033 37.686 -8.091 1.00 45.12 ATOM 1233 CG1 VAL 76 -23.591 39.711 -7.775 1.00 55.33 ATOM 1234 HG11 VAL 76 -22.600 40.068 -7.524 1.00 21.01 ATOM 1235 HG12 VAL 76 -24.323 40.271 -7.210 1.00 74.45 ATOM 1236 HG13 VAL 76 -23.760 39.862 -8.830 1.00 74.14 ATOM 1237 CG2 VAL 76 -23.267 37.973 -6.002 1.00 24.43 ATOM 1238 HG21 VAL 76 -23.264 36.913 -5.803 1.00 75.31 ATOM 1239 HG22 VAL 76 -23.949 38.463 -5.322 1.00 51.22 ATOM 1240 HG23 VAL 76 -22.269 38.363 -5.849 1.00 73.43 ATOM 1241 C VAL 76 -25.506 37.928 -9.131 1.00 74.21 ATOM 1242 O VAL 76 -26.206 38.877 -9.482 1.00 51.31 ATOM 1243 N ALA 77 -25.031 37.025 -9.983 1.00 54.10 ATOM 1244 HN ALA 77 -24.468 36.288 -9.646 1.00 36.16 ATOM 1245 CA ALA 77 -25.314 37.100 -11.411 1.00 63.31 ATOM 1246 HA ALA 77 -25.023 38.081 -11.765 1.00 61.10 ATOM 1247 CB ALA 77 -24.489 36.068 -12.167 1.00 11.14 ATOM 1248 HB1 ALA 77 -23.441 36.227 -11.959 1.00 75.23 ATOM 1249 HB2 ALA 77 -24.662 36.170 -13.229 1.00 15.35 ATOM 1250 HB3 ALA 77 -24.770 35.073 -11.850 1.00 61.11 ATOM 1251 C ALA 77 -26.800 36.898 -11.688 1.00 45.03 ATOM 1252 O ALA 77 -27.331 37.406 -12.675 1.00 61.34 ATOM 1253 N ALA 78 -27.465 36.153 -10.811 1.00 44.23 ATOM 1254 HN ALA 78 -26.989 35.754 -10.047 1.00 36.16 ATOM 1255 CA ALA 78 -28.890 35.886 -10.961 1.00 64.24 ATOM 1256 HA ALA 78 -29.048 35.423 -11.927 1.00 1.40 ATOM 1257 CB ALA 78 -29.359 34.910 -9.893 1.00 22.42 ATOM 1258 HB1 ALA 78 -29.231 35.352 -8.914 1.00 62.41 ATOM 1259 HB2 ALA 78 -28.774 34.004 -9.955 1.00 65.21 ATOM 1260 HB3 ALA 78 -30.402 34.673 -10.049 1.00 74.40 ATOM 1261 C ALA 78 -29.700 37.176 -10.895 1.00 72.30 ATOM 1262 O ALA 78 -30.490 37.469 -11.792 1.00 44.42 ATOM 1263 N GLN 79 -29.500 37.941 -9.827 1.00 20.43 ATOM 1264 HN GLN 79 -28.860 37.639 -9.141 1.00 36.16 ATOM 1265 CA GLN 79 -30.214 39.199 -9.644 1.00 33.52 ATOM 1266 HA GLN 79 -31.274 39.006 -9.751 1.00 14.54 ATOM 1267 CB GLN 79 -29.958 39.756 -8.242 1.00 71.25 ATOM 1268 HB1 GLN 79 -30.379 39.072 -7.520 1.00 36.16 ATOM 1269 HB2 GLN 79 -30.461 40.712 -8.147 1.00 21.31 ATOM 1270 CG GLN 79 -28.484 39.934 -7.919 1.00 4.40 ATOM 1271 HG1 GLN 79 -27.956 40.275 -8.791 1.00 36.16 ATOM 1272 HG2 GLN 79 -28.079 38.986 -7.605 1.00 32.25 ATOM 1273 CD GLN 79 -28.247 40.944 -6.813 1.00 42.34 ATOM 1274 OE1 GLN 79 -27.985 40.578 -5.668 1.00 24.44 ATOM 1275 NE2 GLN 79 -28.338 42.225 -7.152 1.00 1.23 ATOM 1276 HE21 GLN 79 -28.550 42.460 -8.084 1.00 5.23 ATOM 1277 HE22 GLN 79 -28.188 42.894 -6.451 1.00 15.00 ATOM 1278 C GLN 79 -29.795 40.221 -10.695 1.00 24.21 ATOM 1279 O GLN 79 -30.565 41.112 -11.051 1.00 22.45 ATOM 1280 N ASN 80 -28.568 40.086 -11.188 1.00 23.40 ATOM 1281 HN ASN 80 -27.985 39.360 -10.870 1.00 36.16 ATOM 1282 CA ASN 80 -28.045 40.998 -12.198 1.00 51.52 ATOM 1283 HA ASN 80 -28.606 41.926 -12.164 1.00 13.44 ATOM 1284 CB ASN 80 -26.575 41.315 -11.917 1.00 42.43 ATOM 1285 HB1 ASN 80 -26.202 41.989 -12.677 1.00 36.16 ATOM 1286 HB2 ASN 80 -26.004 40.397 -11.944 1.00 54.21 ATOM 1287 CG ASN 80 -26.373 41.969 -10.564 1.00 44.21 ATOM 1288 OD1 ASN 80 -27.267 42.637 -10.045 1.00 50.32 ATOM 1289 ND2 ASN 80 -25.192 41.779 -9.986 1.00 13.21 ATOM 1290 HD21 ASN 80 -24.514 41.235 -10.448 1.00 13.50 ATOM 1291 HD22 ASN 80 -25.041 42.193 -9.111 1.00 41.13 ATOM 1292 C ASN 80 -28.191 40.404 -13.596 1.00 1.42 ATOM 1293 O ASN 80 -27.396 40.693 -14.490 1.00 64.24 ATOM 1294 N TYR 81 -29.212 39.574 -13.776 1.00 51.20 ATOM 1295 HN TYR 81 -29.844 39.402 -13.053 1.00 36.16 ATOM 1296 CA TYR 81 -29.462 38.938 -15.064 1.00 23.21 ATOM 1297 HA TYR 81 -28.506 38.760 -15.548 1.00 61.01 ATOM 1298 CB TYR 81 -30.172 37.598 -14.865 1.00 53.02 ATOM 1299 HB1 TYR 81 -31.231 37.761 -14.697 1.00 36.16 ATOM 1300 HB2 TYR 81 -29.754 37.113 -13.994 1.00 60.43 ATOM 1301 CG TYR 81 -30.003 36.644 -16.026 1.00 45.53 ATOM 1302 CD1 TYR 81 -28.790 36.007 -16.256 1.00 5.20 ATOM 1303 HD1 TYR 81 -27.958 36.199 -15.593 1.00 23.23 ATOM 1304 CD2 TYR 81 -31.056 36.380 -16.893 1.00 41.11 ATOM 1305 HD2 TYR 81 -32.008 36.866 -16.731 1.00 73.40 ATOM 1306 CE1 TYR 81 -28.630 35.136 -17.316 1.00 21.10 ATOM 1307 HE1 TYR 81 -27.679 34.651 -17.477 1.00 62.44 ATOM 1308 CE2 TYR 81 -30.906 35.509 -17.955 1.00 3.01 ATOM 1309 HE2 TYR 81 -31.737 35.317 -18.617 1.00 51.22 ATOM 1310 CZ TYR 81 -29.691 34.890 -18.162 1.00 62.14 ATOM 1311 OH TYR 81 -29.536 34.022 -19.219 1.00 32.54 ATOM 1312 HH TYR 81 -29.501 33.116 -18.896 1.00 31.12 ATOM 1313 C TYR 81 -30.298 39.841 -15.965 1.00 51.20 ATOM 1314 O TYR 81 -29.990 40.018 -17.144 1.00 3.13 ATOM 1315 N ARG 82 -31.358 40.411 -15.401 1.00 21.12 ATOM 1316 HN ARG 82 -31.555 40.238 -14.449 1.00 36.16 ATOM 1317 CA ARG 82 -32.240 41.296 -16.152 1.00 31.11 ATOM 1318 HA ARG 82 -32.332 40.898 -17.160 1.00 71.14 ATOM 1319 CB ARG 82 -33.627 41.336 -15.507 1.00 4.32 ATOM 1320 HB1 ARG 82 -33.627 42.051 -14.691 1.00 36.16 ATOM 1321 HB2 ARG 82 -33.851 40.355 -15.107 1.00 25.11 ATOM 1322 CG ARG 82 -34.738 41.705 -16.475 1.00 54.33 ATOM 1323 HG1 ARG 82 -34.824 40.929 -17.222 1.00 36.16 ATOM 1324 HG2 ARG 82 -34.493 42.643 -16.953 1.00 30.24 ATOM 1325 CD ARG 82 -36.073 41.853 -15.761 1.00 61.04 ATOM 1326 HD1 ARG 82 -36.046 42.765 -15.180 1.00 36.16 ATOM 1327 HD2 ARG 82 -36.222 41.008 -15.101 1.00 11.11 ATOM 1328 NE ARG 82 -37.191 41.914 -16.699 1.00 13.04 ATOM 1329 HE ARG 82 -37.013 41.702 -17.645 1.00 32.21 ATOM 1330 CZ ARG 82 -38.431 42.235 -16.344 1.00 45.21 ATOM 1331 NH1 ARG 82 -38.708 42.523 -15.080 1.00 54.31 ATOM 1332 HH11 ARG 82 -38.003 42.504 -14.374 1.00 3.52 ATOM 1333 HH12 ARG 82 -39.646 42.766 -14.822 1.00 52.00 ATOM 1334 NH2 ARG 82 -39.395 42.269 -17.255 1.00 42.20 ATOM 1335 HH21 ARG 82 -39.191 42.053 -18.212 1.00 20.11 ATOM 1336 HH22 ARG 82 -40.331 42.510 -16.990 1.00 61.13 ATOM 1337 C ARG 82 -31.661 42.706 -16.227 1.00 22.44 ATOM 1338 O ARG 82 -31.106 43.213 -15.252 1.00 3.11 ATOM 1339 N LYS 83 -31.793 43.333 -17.390 1.00 54.13 ATOM 1340 HN LYS 83 -32.235 42.875 -18.143 1.00 36.16 ATOM 1341 CA LYS 83 -31.285 44.684 -17.594 1.00 4.33 ATOM 1342 HA LYS 83 -31.067 45.119 -16.623 1.00 43.03 ATOM 1343 CB LYS 83 -29.997 44.647 -18.419 1.00 44.44 ATOM 1344 HB1 LYS 83 -30.234 44.630 -19.476 1.00 36.16 ATOM 1345 HB2 LYS 83 -29.463 43.736 -18.177 1.00 5.41 ATOM 1346 CG LYS 83 -29.059 45.808 -18.135 1.00 64.24 ATOM 1347 HG1 LYS 83 -28.048 45.505 -18.374 1.00 36.16 ATOM 1348 HG2 LYS 83 -29.111 46.063 -17.084 1.00 51.13 ATOM 1349 CD LYS 83 -29.426 47.035 -18.953 1.00 31.22 ATOM 1350 HD1 LYS 83 -28.983 47.901 -18.484 1.00 36.16 ATOM 1351 HD2 LYS 83 -30.485 47.163 -18.990 1.00 63.33 ATOM 1352 CE LYS 83 -28.893 46.938 -20.374 1.00 70.00 ATOM 1353 HE1 LYS 83 -29.255 46.026 -20.828 1.00 36.16 ATOM 1354 HE2 LYS 83 -27.814 46.918 -20.341 1.00 63.33 ATOM 1355 NZ LYS 83 -29.326 48.092 -21.209 1.00 15.41 ATOM 1356 HZ1 LYS 83 -28.945 47.995 -22.172 1.00 13.54 ATOM 1357 HZ2 LYS 83 -28.978 48.985 -20.802 1.00 70.55 ATOM 1358 HZ3 LYS 83 -30.365 48.130 -21.264 1.00 1.44 ATOM 1359 C LYS 83 -32.323 45.557 -18.291 1.00 1.51 ATOM 1360 O LYS 83 -32.864 45.184 -19.332 1.00 20.34 ATOM 1361 N ARG 84 -32.595 46.722 -17.711 1.00 52.14 ATOM 1362 HN ARG 84 -32.109 46.974 -16.891 1.00 36.16 ATOM 1363 CA ARG 84 -33.569 47.648 -18.278 1.00 5.13 ATOM 1364 HA ARG 84 -34.537 47.164 -18.253 1.00 3.45 ATOM 1365 CB ARG 84 -33.640 48.924 -17.437 1.00 21.15 ATOM 1366 HB1 ARG 84 -34.347 49.611 -17.887 1.00 36.16 ATOM 1367 HB2 ARG 84 -32.662 49.388 -17.435 1.00 5.40 ATOM 1368 CG ARG 84 -34.039 48.678 -15.991 1.00 13.53 ATOM 1369 HG1 ARG 84 -33.644 49.482 -15.388 1.00 36.16 ATOM 1370 HG2 ARG 84 -33.632 47.741 -15.640 1.00 52.10 ATOM 1371 CD ARG 84 -35.551 48.652 -15.827 1.00 60.42 ATOM 1372 HD1 ARG 84 -35.997 49.408 -16.463 1.00 36.16 ATOM 1373 HD2 ARG 84 -35.785 48.875 -14.796 1.00 50.45 ATOM 1374 NE ARG 84 -36.114 47.346 -16.160 1.00 54.00 ATOM 1375 HE ARG 84 -35.489 46.606 -16.343 1.00 23.45 ATOM 1376 CZ ARG 84 -37.419 47.103 -16.223 1.00 22.25 ATOM 1377 NH1 ARG 84 -38.290 48.072 -15.977 1.00 23.25 ATOM 1378 HH11 ARG 84 -37.990 48.994 -15.740 1.00 13.20 ATOM 1379 HH12 ARG 84 -39.272 47.879 -16.029 1.00 55.44 ATOM 1380 NH2 ARG 84 -37.854 45.888 -16.532 1.00 54.32 ATOM 1381 HH21 ARG 84 -37.201 45.151 -16.718 1.00 41.45 ATOM 1382 HH22 ARG 84 -38.838 45.702 -16.580 1.00 11.32 ATOM 1383 C ARG 84 -33.212 47.996 -19.720 1.00 53.40 ATOM 1384 O ARG 84 -32.164 48.584 -19.988 1.00 21.32 ATOM 1385 N LYS 85 -34.092 47.630 -20.646 1.00 63.21 ATOM 1386 HN LYS 85 -34.923 47.173 -20.372 1.00 36.16 ATOM 1387 CA LYS 85 -33.872 47.903 -22.061 1.00 51.24 ATOM 1388 HA LYS 85 -32.820 47.780 -22.265 1.00 24.13 ATOM 1389 CB LYS 85 -34.675 46.925 -22.922 1.00 21.34 ATOM 1390 HB1 LYS 85 -34.790 47.328 -23.923 1.00 36.16 ATOM 1391 HB2 LYS 85 -35.659 46.812 -22.485 1.00 32.40 ATOM 1392 CG LYS 85 -34.048 45.545 -23.019 1.00 32.54 ATOM 1393 HG1 LYS 85 -34.840 44.827 -23.178 1.00 36.16 ATOM 1394 HG2 LYS 85 -33.539 45.304 -22.093 1.00 62.01 ATOM 1395 CD LYS 85 -33.078 45.453 -24.184 1.00 43.42 ATOM 1396 HD1 LYS 85 -33.420 46.069 -25.007 1.00 36.16 ATOM 1397 HD2 LYS 85 -33.033 44.424 -24.508 1.00 54.34 ATOM 1398 CE LYS 85 -31.679 45.894 -23.781 1.00 20.03 ATOM 1399 HE1 LYS 85 -31.450 45.521 -22.790 1.00 36.16 ATOM 1400 HE2 LYS 85 -31.643 46.971 -23.777 1.00 25.50 ATOM 1401 NZ LYS 85 -30.645 45.393 -24.728 1.00 42.31 ATOM 1402 HZ1 LYS 85 -30.653 44.352 -24.755 1.00 22.33 ATOM 1403 HZ2 LYS 85 -29.703 45.711 -24.424 1.00 53.33 ATOM 1404 HZ3 LYS 85 -30.826 45.757 -25.687 1.00 60.32 ATOM 1405 C LYS 85 -34.262 49.337 -22.405 1.00 51.14 ATOM 1406 O LYS 85 -35.152 49.916 -21.781 1.00 0.21 ATOM 1407 N LEU 86 -33.592 49.904 -23.403 1.00 14.43 ATOM 1408 HN LEU 86 -32.901 49.389 -23.881 1.00 36.16 ATOM 1409 CA LEU 86 -33.870 51.271 -23.831 1.00 73.11 ATOM 1410 HA LEU 86 -34.794 51.609 -23.378 1.00 53.24 ATOM 1411 CB LEU 86 -32.743 52.205 -23.388 1.00 24.41 ATOM 1412 HB1 LEU 86 -32.790 52.290 -22.310 1.00 36.16 ATOM 1413 HB2 LEU 86 -32.947 53.188 -23.801 1.00 12.11 ATOM 1414 CG LEU 86 -31.327 51.784 -23.786 1.00 55.23 ATOM 1415 HG LEU 86 -31.356 51.253 -24.728 1.00 32.34 ATOM 1416 CD1 LEU 86 -30.442 53.006 -23.978 1.00 23.54 ATOM 1417 HD11 LEU 86 -30.864 53.642 -24.744 1.00 35.51 ATOM 1418 HD12 LEU 86 -29.453 52.693 -24.282 1.00 0.33 ATOM 1419 HD13 LEU 86 -30.374 53.558 -23.050 1.00 75.34 ATOM 1420 CD2 LEU 86 -30.734 50.851 -22.741 1.00 11.11 ATOM 1421 HD21 LEU 86 -30.712 51.350 -21.781 1.00 42.34 ATOM 1422 HD22 LEU 86 -29.725 50.587 -23.025 1.00 35.02 ATOM 1423 HD23 LEU 86 -31.316 49.954 -22.661 1.00 45.20 ATOM 1424 C LEU 86 -34.040 51.343 -25.345 1.00 70.13 ATOM 1425 O LEU 86 -33.792 50.368 -26.054 1.00 31.02 ATOM 1426 N GLU 87 -34.462 52.505 -25.834 1.00 12.03 ATOM 1427 HN GLU 87 -34.639 53.254 -25.215 1.00 36.16 ATOM 1428 CA GLU 87 -34.663 52.704 -27.264 1.00 72.23 ATOM 1429 HA GLU 87 -35.253 51.872 -27.636 1.00 11.41 ATOM 1430 CB GLU 87 -35.426 54.006 -27.519 1.00 23.24 ATOM 1431 HB1 GLU 87 -34.761 54.850 -27.382 1.00 36.16 ATOM 1432 HB2 GLU 87 -36.229 54.078 -26.796 1.00 0.21 ATOM 1433 CG GLU 87 -36.033 54.094 -28.909 1.00 21.13 ATOM 1434 HG1 GLU 87 -36.639 53.216 -29.084 1.00 36.16 ATOM 1435 HG2 GLU 87 -35.235 54.129 -29.635 1.00 3.01 ATOM 1436 CD GLU 87 -36.903 55.323 -29.088 1.00 72.33 ATOM 1437 OE1 GLU 87 -37.667 55.370 -30.075 1.00 14.14 ATOM 1438 OE2 GLU 87 -36.820 56.237 -28.241 1.00 64.15 ATOM 1439 C GLU 87 -33.328 52.731 -28.003 1.00 31.23 ATOM 1440 O GLU 87 -32.296 53.083 -27.431 1.00 42.53 ATOM 1441 N THR 88 -33.356 52.355 -29.278 1.00 21.24 ATOM 1442 HN THR 88 -34.209 52.070 -29.683 1.00 36.16 ATOM 1443 CA THR 88 -32.149 52.334 -30.095 1.00 32.33 ATOM 1444 HA THR 88 -31.402 52.982 -29.645 1.00 23.32 ATOM 1445 CB THR 88 -31.567 50.911 -30.201 1.00 12.54 ATOM 1446 HB THR 88 -30.953 50.835 -31.092 1.00 62.51 ATOM 1447 OG1 THR 88 -32.628 49.953 -30.288 1.00 2.44 ATOM 1448 HG1 THR 88 -32.956 49.916 -31.190 1.00 13.14 ATOM 1449 CG2 THR 88 -30.689 50.595 -28.999 1.00 42.55 ATOM 1450 HG21 THR 88 -31.275 50.662 -28.094 1.00 33.02 ATOM 1451 HG22 THR 88 -29.871 51.300 -28.952 1.00 33.32 ATOM 1452 HG23 THR 88 -30.294 49.594 -29.097 1.00 45.14 ATOM 1453 C THR 88 -32.426 52.863 -31.497 1.00 44.12 ATOM 1454 O THR 88 -33.580 53.014 -31.897 1.00 54.03 ATOM 1455 N ILE 89 -31.360 53.143 -32.240 1.00 22.33 ATOM 1456 HN ILE 89 -30.457 53.004 -31.874 1.00 36.16 ATOM 1457 CA ILE 89 -31.489 53.654 -33.599 1.00 21.43 ATOM 1458 HA ILE 89 -32.542 53.818 -33.815 1.00 41.15 ATOM 1459 CB ILE 89 -30.766 55.003 -33.764 1.00 4.21 ATOM 1460 HB ILE 89 -29.698 54.831 -33.719 1.00 52.12 ATOM 1461 CG1 ILE 89 -31.158 55.958 -32.635 1.00 1.33 ATOM 1462 HG11 ILE 89 -30.931 55.504 -31.680 1.00 36.16 ATOM 1463 HG12 ILE 89 -32.218 56.161 -32.686 1.00 1.23 ATOM 1464 CG2 ILE 89 -31.089 55.615 -35.119 1.00 1.12 ATOM 1465 HG21 ILE 89 -32.150 55.811 -35.186 1.00 12.01 ATOM 1466 HG22 ILE 89 -30.801 54.939 -35.910 1.00 1.31 ATOM 1467 HG23 ILE 89 -30.548 56.540 -35.245 1.00 71.33 ATOM 1468 CD1 ILE 89 -30.430 57.284 -32.684 1.00 73.42 ATOM 1469 HD11 ILE 89 -30.775 57.856 -33.532 1.00 25.02 ATOM 1470 HD12 ILE 89 -29.366 57.114 -32.772 1.00 43.15 ATOM 1471 HD13 ILE 89 -30.630 57.835 -31.777 1.00 55.22 ATOM 1472 C ILE 89 -30.930 52.663 -34.614 1.00 21.50 ATOM 1473 O ILE 89 -29.715 52.512 -34.747 1.00 54.01 ATOM 1474 N VAL 90 -31.825 51.989 -35.330 1.00 42.10 ATOM 1475 HN VAL 90 -32.782 52.164 -35.190 1.00 36.16 ATOM 1476 CA VAL 90 -31.422 51.014 -36.336 1.00 44.12 ATOM 1477 HA VAL 90 -30.411 50.681 -36.126 1.00 72.20 ATOM 1478 CB VAL 90 -32.335 49.774 -36.314 1.00 54.34 ATOM 1479 HB VAL 90 -31.949 49.042 -37.007 1.00 53.52 ATOM 1480 CG1 VAL 90 -32.343 49.141 -34.932 1.00 23.44 ATOM 1481 HG11 VAL 90 -32.958 48.252 -34.945 1.00 2.41 ATOM 1482 HG12 VAL 90 -32.741 49.841 -34.211 1.00 13.22 ATOM 1483 HG13 VAL 90 -31.334 48.872 -34.651 1.00 13.53 ATOM 1484 CG2 VAL 90 -33.746 50.145 -36.748 1.00 23.24 ATOM 1485 HG21 VAL 90 -34.386 49.276 -36.668 1.00 71.13 ATOM 1486 HG22 VAL 90 -33.745 50.477 -37.774 1.00 24.22 ATOM 1487 HG23 VAL 90 -34.136 50.927 -36.116 1.00 74.34 ATOM 1488 C VAL 90 -31.445 51.624 -37.733 1.00 43.31 ATOM 1489 O VAL 90 -31.758 52.802 -37.901 1.00 13.43 ATOM 1490 N GLN 91 -31.111 50.814 -38.732 1.00 51.04 ATOM 1491 HN GLN 91 -30.837 49.888 -38.548 1.00 36.16 ATOM 1492 HA GLN 91 -31.454 52.296 -40.160 1.00 21.43 ATOM 1493 CB GLN 91 -29.667 51.248 -40.666 1.00 63.24 ATOM 1494 HB1 GLN 91 -29.285 50.239 -40.600 1.00 36.16 ATOM 1495 HB2 GLN 91 -29.061 51.891 -40.044 1.00 45.14 ATOM 1496 CG GLN 91 -29.564 51.706 -42.112 1.00 43.31 ATOM 1497 HG1 GLN 91 -30.272 52.507 -42.287 1.00 36.16 ATOM 1498 HG2 GLN 91 -29.800 50.873 -42.757 1.00 62.22 ATOM 1499 CD GLN 91 -28.179 52.210 -42.467 1.00 43.04 ATOM 1500 OE1 GLN 91 -27.338 52.417 -41.592 1.00 44.43 ATOM 1501 NE2 GLN 91 -27.934 52.410 -43.757 1.00 61.21 ATOM 1502 HE21 GLN 91 -28.644 52.227 -44.414 1.00 54.43 ATOM 1503 HE22 GLN 91 -27.044 52.736 -44.007 1.00 25.10 ATOM 1504 CA GLN 91 -31.093 51.275 -40.116 1.00 35.03 ATOM 1505 C GLN 91 -32.004 50.416 -40.987 1.00 51.32 ATOM 1506 OT1 GLN 91 -31.818 49.179 -41.004 1.00 36.16 ATOM 1507 OT2 GLN 91 -32.900 50.984 -41.648 1.00 36.16 ATOM 1508 OH2 TIP3 1 -34.524 18.219 -2.471 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -34.384 17.628 -3.210 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -34.356 19.092 -2.827 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -32.682 14.559 -4.405 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -33.334 15.254 -4.316 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -32.217 14.769 -5.215 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -34.687 24.768 0.213 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -34.487 25.192 -0.622 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -34.031 25.111 0.820 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -34.739 16.383 -4.556 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -34.097 16.840 -5.099 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -35.569 16.496 -5.018 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -32.424 17.941 -0.951 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -33.276 18.179 -1.318 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -31.834 17.924 -1.704 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -36.244 22.526 -2.107 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -36.846 21.971 -2.602 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -35.963 23.193 -2.733 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -34.974 22.780 -6.140 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -35.130 23.458 -6.797 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -34.042 22.852 -5.937 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -32.258 23.430 -5.911 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -32.280 23.615 -4.972 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -31.568 23.999 -6.252 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -32.695 22.997 -2.989 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -33.182 22.262 -3.360 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -32.146 22.604 -2.311 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -34.244 18.787 1.649 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -35.110 18.682 2.043 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -33.868 19.546 2.096 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -32.790 17.882 -6.065 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -31.956 17.504 -6.346 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -32.678 18.825 -6.184 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -34.303 20.760 -3.758 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -34.951 21.085 -3.133 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -34.821 20.320 -4.433 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -33.906 15.588 -0.811 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -33.323 14.854 -0.620 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -33.342 16.360 -0.765 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -32.409 13.491 -0.127 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -33.272 13.112 -0.292 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -31.805 12.752 -0.201 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -34.322 22.051 -0.181 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -35.104 21.865 -0.701 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -34.394 22.980 0.036 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -32.886 20.669 2.984 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -32.813 21.608 3.154 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -31.981 20.364 2.927 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -34.092 20.927 5.533 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -34.465 20.101 5.843 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -33.815 20.744 4.636 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -32.196 23.383 3.555 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -31.453 23.969 3.415 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -32.891 23.951 3.888 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -33.402 16.175 2.044 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -33.675 15.750 1.231 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -33.362 17.106 1.827 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -32.943 17.044 6.019 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.093 17.465 6.147 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -32.938 16.304 6.627 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -32.549 15.097 7.843 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -33.275 14.618 8.241 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -31.968 15.303 8.575 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -32.281 14.998 4.234 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -32.802 15.355 3.515 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -32.314 15.673 4.912 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -34.687 43.624 -37.499 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -34.487 44.048 -38.334 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -34.031 43.967 -36.892 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.258 42.286 -43.623 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -32.280 42.471 -42.684 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -31.568 42.855 -43.964 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -32.695 41.853 -40.701 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -33.182 41.118 -41.072 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -32.146 41.460 -40.023 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -35.669 43.472 -41.756 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -35.851 44.388 -41.967 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -35.493 43.062 -42.603 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -39.022 42.092 -27.074 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -38.402 41.415 -27.347 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -39.230 41.874 -26.166 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -32.395 29.560 -22.085 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -33.084 30.218 -22.180 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -32.380 29.363 -21.148 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -35.621 38.827 -24.938 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -36.563 38.885 -24.777 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -35.345 39.733 -25.075 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -37.369 40.608 -28.313 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -36.944 39.901 -28.798 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -37.052 41.409 -28.730 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -34.524 37.075 -21.327 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -34.384 36.484 -22.066 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -34.356 37.948 -21.683 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -32.682 33.415 -23.261 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -33.334 34.110 -23.172 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -32.217 33.625 -24.071 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -36.748 32.421 -21.535 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -36.668 33.184 -20.963 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -37.349 32.700 -22.226 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -38.324 39.149 -24.353 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -38.565 39.811 -23.705 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -38.522 38.315 -23.928 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -43.753 38.045 -20.370 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -44.065 38.827 -19.914 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -44.403 37.892 -21.056 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -45.514 40.117 -19.606 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -45.506 39.981 -20.554 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -46.430 39.999 -19.354 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -40.990 39.330 -20.874 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -40.903 40.156 -20.399 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -41.854 39.000 -20.625 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -34.817 31.249 -19.270 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -35.224 31.730 -19.990 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -34.776 30.344 -19.577 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -34.739 35.239 -23.412 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -34.097 35.696 -23.955 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -35.569 35.352 -23.874 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -40.369 36.290 -20.961 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -40.715 35.909 -20.155 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -40.569 37.224 -20.890 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -38.119 38.752 -21.011 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -39.020 38.935 -21.279 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -38.085 39.011 -20.090 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -42.447 40.731 -23.133 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -42.084 41.586 -23.366 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -41.915 40.439 -22.392 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -36.244 41.382 -20.963 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -36.846 40.827 -21.458 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -35.963 42.049 -21.589 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -32.196 42.239 -34.157 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -31.453 42.825 -34.297 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -32.891 42.807 -33.824 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -34.663 28.629 -20.714 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -35.579 28.892 -20.802 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -34.327 28.626 -21.611 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -34.974 41.636 -24.996 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -35.130 42.314 -25.653 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -34.042 41.708 -24.793 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -44.663 41.226 -17.148 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -43.895 40.767 -16.807 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -44.684 41.000 -18.078 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -42.698 36.087 -18.381 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -43.026 36.358 -19.239 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -42.546 35.146 -18.469 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -36.963 36.003 -20.998 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -36.218 36.591 -21.118 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -37.720 36.585 -20.935 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -39.554 34.797 -17.742 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -38.601 34.881 -17.770 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -39.714 34.086 -17.123 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -36.508 34.094 -19.099 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -36.789 34.803 -19.677 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -35.565 34.021 -19.250 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -32.695 41.853 -21.845 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -33.182 41.118 -22.216 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -32.146 41.460 -21.167 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -32.790 36.738 -24.921 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -31.956 36.360 -25.202 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -32.678 37.681 -25.040 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -34.303 39.616 -22.614 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -34.951 39.941 -21.989 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -34.821 39.176 -23.289 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -34.411 31.375 -22.632 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -35.254 31.643 -22.266 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -33.968 32.197 -22.843 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -32.608 27.464 -18.929 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -33.525 27.735 -18.965 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -32.485 26.929 -19.713 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -35.520 42.376 -29.195 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -34.867 42.029 -29.803 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -35.009 42.865 -28.549 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -45.181 40.280 -22.393 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -45.606 41.089 -22.676 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -44.276 40.365 -22.695 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -40.601 43.024 -24.140 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -41.058 43.553 -24.794 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -40.438 43.627 -23.415 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -38.274 41.902 -23.195 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -39.178 42.067 -23.461 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -37.845 42.755 -23.261 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -33.540 42.156 -31.187 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -33.734 41.408 -31.752 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -33.579 42.914 -31.771 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -36.133 36.987 -8.430 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -36.574 36.267 -7.980 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -36.146 37.708 -7.800 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -39.022 42.092 -8.218 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -38.402 41.415 -8.491 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -39.230 41.874 -7.310 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -32.787 28.082 -5.465 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -32.738 28.692 -4.729 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -32.361 28.543 -6.188 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -32.395 29.560 -3.229 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -33.084 30.218 -3.324 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -32.380 29.363 -2.292 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -38.975 37.394 -11.108 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -39.271 37.072 -11.959 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -39.299 38.294 -11.066 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -35.621 38.827 -6.082 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -36.563 38.885 -5.921 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -35.345 39.733 -6.219 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -37.369 40.608 -9.457 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -36.944 39.901 -9.942 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -37.052 41.409 -9.874 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -36.210 38.509 -10.948 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -36.467 37.819 -11.560 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -36.139 38.066 -10.103 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -34.524 37.075 -2.471 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.384 36.484 -3.210 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -34.356 37.948 -2.827 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -36.645 34.247 -11.747 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -37.377 34.475 -11.174 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -36.198 33.533 -11.292 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -36.748 32.421 -2.679 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -36.668 33.184 -2.107 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -37.349 32.700 -3.370 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -37.774 33.409 -14.062 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -37.195 33.559 -13.315 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -37.360 33.880 -14.785 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -40.048 40.146 -10.627 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -39.574 40.441 -9.849 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -40.611 40.884 -10.860 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -31.969 39.756 -0.894 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -32.018 38.801 -0.931 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -32.795 40.024 -0.492 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -34.817 31.249 -0.414 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -35.224 31.730 -1.134 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -34.776 30.344 -0.721 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -36.297 34.442 -16.432 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -36.255 34.219 -17.362 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -35.448 34.840 -16.242 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -41.889 36.106 -13.342 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -42.633 35.599 -13.665 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -42.023 36.155 -12.396 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -34.739 35.239 -4.556 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -34.097 35.696 -5.099 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -35.569 35.352 -5.018 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -39.763 37.565 -14.317 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -40.058 38.391 -13.935 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.466 36.945 -14.121 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -32.388 30.997 -13.788 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -32.942 30.601 -14.460 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -32.287 31.907 -14.065 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -32.424 36.797 -0.951 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -33.276 37.035 -1.318 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -31.834 36.780 -1.704 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -44.278 41.604 -11.047 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -45.228 41.709 -10.995 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -43.927 42.424 -10.702 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -36.700 37.759 -15.502 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -36.347 37.379 -14.698 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -37.649 37.666 -15.416 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -35.834 36.432 -13.276 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -36.111 35.704 -12.720 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -34.907 36.551 -13.070 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -42.609 38.871 -17.055 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -42.370 38.123 -17.603 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -42.878 38.483 -16.223 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -43.672 38.441 -14.599 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -43.525 37.921 -13.809 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -43.675 39.348 -14.293 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -43.596 41.182 -13.868 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -43.435 41.982 -14.369 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -43.793 41.489 -12.983 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -34.663 28.629 -1.858 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.579 28.892 -1.946 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -34.327 28.626 -2.755 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -36.061 32.380 -7.762 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -36.858 31.965 -8.091 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.616 31.689 -7.271 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -34.974 41.636 -6.140 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.130 42.314 -6.797 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -34.042 41.708 -5.937 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -39.660 37.508 -17.090 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -39.928 37.688 -16.189 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -39.866 36.582 -17.221 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -36.963 36.003 -2.142 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -36.218 36.591 -2.262 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -37.720 36.585 -2.079 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -36.508 34.094 -0.243 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -36.789 34.803 -0.821 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -35.565 34.021 -0.394 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -42.894 43.367 -15.256 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -41.961 43.525 -15.112 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -43.158 44.042 -15.881 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -32.258 42.286 -5.911 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -32.280 42.471 -4.972 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -31.568 42.855 -6.252 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -32.695 41.853 -2.989 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -33.182 41.118 -3.360 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -32.146 41.460 -2.311 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -34.244 37.643 1.649 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.110 37.538 2.043 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -33.868 38.402 2.096 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -32.790 36.738 -6.065 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -31.956 36.360 -6.346 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -32.678 37.681 -6.184 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -34.303 39.616 -3.758 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -34.951 39.941 -3.133 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -34.821 39.176 -4.433 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -33.932 31.094 -16.071 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -33.835 31.761 -16.751 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -34.072 30.278 -16.553 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -34.762 32.474 -10.450 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -34.912 31.529 -10.470 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -35.116 32.755 -9.606 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -33.906 34.444 -0.811 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -33.323 33.710 -0.620 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -33.342 35.216 -0.765 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -34.684 28.502 -16.954 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -34.074 28.130 -16.317 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -35.521 28.080 -16.758 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -35.052 30.057 -11.988 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -34.772 29.150 -11.863 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -34.293 30.491 -12.377 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -34.440 30.638 -6.552 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -33.507 30.850 -6.586 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -34.675 30.740 -5.629 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -34.411 31.375 -3.776 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -35.254 31.643 -3.410 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -33.968 32.197 -3.987 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -32.128 25.355 1.578 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -31.778 24.701 0.972 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -31.981 26.192 1.138 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.608 27.464 -0.073 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -33.525 27.735 -0.109 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -32.485 26.929 -0.857 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.520 42.376 -10.339 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -34.867 42.029 -10.947 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -35.009 42.865 -9.693 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -33.607 25.554 -2.254 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -34.420 25.879 -2.642 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -33.374 24.794 -2.787 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -33.308 26.249 -9.485 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -32.696 25.735 -10.012 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -32.925 27.127 -9.462 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -47.295 42.303 -16.383 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -47.563 42.590 -15.510 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -46.524 41.757 -16.231 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -32.388 30.997 5.068 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -32.942 30.601 4.396 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -32.287 31.907 4.791 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -33.402 35.031 2.044 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -33.675 34.606 1.231 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -33.362 35.962 1.827 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -32.281 33.854 4.234 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -32.802 34.211 3.515 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -32.314 34.529 4.912 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -33.932 31.094 2.785 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -33.835 31.761 2.105 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.072 30.278 2.303 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -32.572 27.387 3.445 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -32.159 26.666 2.969 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -31.890 28.057 3.503 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -39.839 52.904 -44.444 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -39.877 52.258 -43.739 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -40.162 52.438 -45.215 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -36.133 55.843 -46.142 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -36.574 55.123 -45.692 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -36.146 56.564 -45.512 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -38.309 49.731 -43.710 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -38.166 48.784 -43.690 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -38.415 49.938 -44.639 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -35.668 47.254 -46.056 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.883 46.488 -45.524 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -35.012 47.726 -45.543 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -35.621 57.683 -43.794 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -36.563 57.741 -43.633 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -35.345 58.589 -43.931 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -35.321 45.969 -42.377 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -36.057 46.580 -42.415 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -34.637 46.384 -42.903 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -34.524 55.931 -40.183 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -34.384 55.340 -40.922 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -34.356 56.804 -40.539 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -36.748 51.277 -40.391 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -36.668 52.040 -39.819 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -37.349 51.556 -41.082 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -31.969 58.612 -38.606 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -32.018 57.657 -38.643 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -32.795 58.880 -38.204 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -37.060 48.437 -39.905 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -37.574 48.311 -39.108 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -37.215 49.349 -40.150 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -40.323 50.737 -37.821 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -40.886 50.033 -37.501 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -39.497 50.617 -37.354 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -38.421 50.008 -46.495 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -38.616 50.613 -47.210 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -38.239 49.174 -46.930 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -39.157 51.646 -41.824 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -38.833 51.015 -42.467 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -39.597 51.111 -41.163 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -37.974 46.808 -43.776 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -38.651 46.939 -43.112 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -38.460 46.653 -44.586 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -36.932 53.447 -44.013 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -37.860 53.215 -44.040 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -36.481 52.670 -44.343 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -38.903 55.686 -42.288 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -39.329 55.459 -41.462 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -38.322 54.948 -42.471 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -39.387 47.212 -41.522 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -38.689 47.286 -40.872 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -39.768 46.348 -41.367 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -36.061 51.236 -45.474 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -36.858 50.821 -45.803 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -35.616 50.545 -44.983 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -38.086 58.462 -37.275 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -38.437 57.606 -37.032 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -37.360 58.605 -36.668 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -36.963 54.859 -39.854 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -36.218 55.447 -39.974 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -37.720 55.441 -39.791 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -39.554 53.653 -36.598 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -38.601 53.737 -36.626 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -39.714 52.942 -35.979 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -37.824 50.161 -36.033 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -37.632 49.230 -36.144 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -36.967 50.586 -36.043 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -36.508 52.950 -37.955 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -36.789 53.659 -38.533 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -35.565 52.877 -38.106 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -39.036 47.812 -38.230 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -39.984 47.844 -38.098 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -38.724 47.187 -37.576 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -37.402 46.446 -36.225 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -37.499 45.494 -36.231 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -37.724 46.715 -35.364 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -32.695 60.709 -40.701 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -33.182 59.974 -41.072 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -32.146 60.316 -40.023 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -32.549 52.809 -48.725 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -33.275 52.330 -48.327 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -31.968 53.015 -47.993 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -32.790 55.594 -43.777 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -31.956 55.216 -44.058 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -32.678 56.537 -43.896 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.303 58.472 -41.470 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -34.951 58.797 -40.845 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -34.821 58.032 -42.145 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -34.762 51.330 -48.162 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -34.912 50.385 -48.182 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -35.116 51.611 -47.318 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -32.128 44.211 -36.134 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -31.778 43.557 -36.740 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -31.981 45.048 -36.574 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -33.607 44.410 -39.966 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -34.420 44.735 -40.354 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -33.374 43.650 -40.499 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -35.035 43.966 -45.531 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.431 44.514 -46.032 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -35.904 44.286 -45.771 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -33.308 45.105 -47.197 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -32.696 44.591 -47.724 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -32.925 45.983 -47.174 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -37.498 43.690 -36.586 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -37.422 43.264 -35.732 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -36.605 43.704 -36.928 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -34.322 59.763 -37.893 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -35.104 59.577 -38.413 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -34.394 60.692 -37.676 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -39.839 52.904 -25.588 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -39.877 52.258 -24.883 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -40.162 52.438 -26.359 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -39.022 60.948 -27.074 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -38.402 60.271 -27.347 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -39.230 60.730 -26.166 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -41.450 55.337 -25.182 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -41.146 54.651 -25.776 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -40.728 55.455 -24.564 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -38.309 49.731 -24.854 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -38.166 48.784 -24.834 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -38.415 49.938 -25.783 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -37.432 47.963 -29.181 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -36.786 47.634 -28.556 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -36.922 48.481 -29.804 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -43.378 51.779 -27.604 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -42.762 51.253 -27.095 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -43.964 51.139 -28.008 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -34.524 55.931 -21.327 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -34.384 55.340 -22.066 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -34.356 56.804 -21.683 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -39.997 51.351 -34.516 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -39.296 51.373 -33.865 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -39.695 50.723 -35.172 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -45.000 53.733 -28.720 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -45.330 53.363 -29.539 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -44.412 53.063 -28.374 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -43.633 57.161 -26.039 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -43.728 56.583 -26.796 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -42.904 56.790 -25.543 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -38.324 58.005 -24.353 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -38.565 58.667 -23.705 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -38.522 57.171 -23.928 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -37.774 52.265 -32.918 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -37.195 52.415 -32.171 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -37.360 52.736 -33.641 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -40.048 59.002 -29.483 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -39.574 59.297 -28.705 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -40.611 59.740 -29.716 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -34.076 44.015 -33.105 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -34.975 44.154 -32.810 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.824 44.846 -33.507 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -31.969 58.612 -19.750 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -32.018 57.657 -19.787 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -32.795 58.880 -19.348 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -40.576 61.958 -31.068 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -40.651 61.837 -32.014 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -40.543 62.908 -30.949 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -37.474 61.112 -34.065 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -37.099 60.368 -34.536 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -37.470 60.842 -33.147 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -37.805 61.038 -31.316 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -38.740 61.138 -31.137 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -37.525 60.329 -30.738 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -40.386 44.681 -21.903 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -39.966 44.266 -21.150 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -41.319 44.503 -21.786 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -36.297 53.298 -35.288 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -36.255 53.075 -36.218 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -35.448 53.696 -35.098 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -40.724 47.174 -34.618 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -40.978 47.193 -33.695 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -40.981 46.302 -34.919 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -39.425 50.562 -30.453 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -39.834 51.377 -30.745 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -38.705 50.422 -31.068 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -40.323 50.737 -18.965 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -40.886 50.033 -18.645 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -39.497 50.617 -18.498 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -38.421 50.008 -27.639 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -38.616 50.613 -28.354 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -38.239 49.174 -28.074 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -39.157 51.646 -22.968 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -38.833 51.015 -23.611 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -39.597 51.111 -22.307 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -41.059 50.361 -26.297 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -40.495 49.814 -26.844 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -41.207 49.839 -25.508 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -42.433 48.749 -23.883 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -43.268 49.203 -23.773 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -41.909 49.025 -23.131 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -41.889 54.962 -32.198 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -42.633 54.455 -32.521 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -42.023 55.011 -31.252 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -37.991 47.776 -33.999 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -38.929 47.888 -34.150 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -37.694 48.633 -33.693 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -40.369 55.146 -20.961 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -40.715 54.765 -20.155 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -40.569 56.080 -20.890 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -37.273 49.643 -32.338 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -36.381 49.506 -32.019 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -37.216 50.434 -32.875 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -42.739 52.235 -18.901 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -43.035 52.069 -19.796 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -41.808 52.015 -18.911 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -38.119 57.608 -21.011 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -39.020 57.791 -21.279 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -38.085 57.867 -20.090 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -32.424 55.653 -19.807 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -33.276 55.891 -20.174 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -31.834 55.636 -20.560 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -44.389 57.775 -29.024 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -43.862 58.548 -29.225 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -45.269 58.000 -29.326 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -42.962 55.438 -29.448 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -43.203 56.363 -29.406 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -43.702 54.979 -29.052 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -38.903 55.686 -23.432 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -39.329 55.459 -22.606 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -38.322 54.948 -23.615 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -36.700 56.615 -34.358 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -36.347 56.235 -33.554 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -37.649 56.522 -34.272 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -32.196 61.095 -34.157 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -31.453 61.681 -34.297 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -32.891 61.663 -33.824 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -43.672 57.297 -33.455 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -43.525 56.777 -32.665 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -43.675 58.204 -33.149 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -39.387 47.212 -22.666 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -38.689 47.286 -22.016 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -39.768 46.348 -22.511 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -38.603 46.864 -31.569 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -38.383 47.336 -32.372 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -38.045 47.259 -30.898 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -40.934 58.995 -32.706 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -41.751 59.492 -32.653 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -40.405 59.470 -33.346 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -41.403 48.592 -30.734 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -40.591 49.096 -30.688 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -41.648 48.447 -29.820 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -40.867 49.578 -21.549 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -40.748 50.152 -20.792 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -40.212 48.890 -21.434 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -43.596 60.038 -32.724 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -43.435 60.838 -33.225 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -43.793 60.345 -31.839 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -34.974 60.492 -24.996 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -35.130 61.170 -25.653 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -34.042 60.564 -24.793 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -40.571 59.590 -35.773 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -41.215 58.959 -35.451 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -39.809 59.059 -36.005 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -35.967 59.407 -35.539 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -35.684 58.613 -35.086 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -35.227 59.640 -36.100 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -39.660 56.364 -35.946 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -39.928 56.544 -35.045 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -39.866 55.438 -36.077 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -36.963 54.859 -20.998 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -36.218 55.447 -21.118 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -37.720 55.441 -20.935 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -43.863 53.289 -33.376 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -44.322 52.805 -32.690 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -43.608 52.621 -34.012 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -39.554 53.653 -17.742 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -38.601 53.737 -17.770 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -39.714 52.942 -17.123 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -44.234 48.537 -19.937 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -44.084 47.808 -20.540 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -44.232 49.314 -20.496 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -42.240 52.346 -22.205 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -41.489 52.190 -22.778 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -42.579 53.198 -22.481 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -36.508 52.950 -19.099 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -36.789 53.659 -19.677 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -35.565 52.877 -19.250 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -45.756 49.735 -18.026 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -46.523 49.203 -18.236 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -45.077 49.425 -18.625 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -43.016 44.363 -22.013 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -43.114 45.310 -22.119 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -43.759 43.991 -22.489 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -41.752 48.685 -18.450 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -41.988 48.465 -17.548 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -42.535 48.478 -18.959 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -42.794 43.657 -19.342 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -42.082 43.017 -19.356 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -42.895 43.924 -20.256 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -42.441 45.340 -17.288 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -42.572 44.864 -18.109 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -43.040 46.084 -17.344 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -32.258 61.142 -24.767 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -32.280 61.327 -23.828 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -31.568 61.711 -25.108 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -34.244 56.499 -17.207 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -35.110 56.394 -16.813 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -33.868 57.258 -16.760 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -34.303 58.472 -22.614 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -34.951 58.797 -21.989 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -34.821 58.032 -23.289 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -33.906 53.300 -19.667 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -33.323 52.566 -19.476 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -33.342 54.072 -19.621 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -34.438 46.176 -30.795 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -34.256 45.727 -29.970 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -35.038 45.591 -31.259 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -35.520 61.232 -29.195 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -34.867 60.885 -29.803 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -35.009 61.721 -28.549 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -40.601 61.880 -24.140 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -41.058 62.409 -24.794 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -40.438 62.483 -23.415 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -38.274 60.758 -23.195 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -39.178 60.923 -23.461 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -37.845 61.611 -23.261 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -40.177 45.859 -26.787 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -40.852 45.230 -26.532 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -39.613 45.375 -27.390 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -33.308 45.105 -28.341 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -32.696 44.591 -28.868 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -32.925 45.983 -28.318 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -37.714 44.450 -27.503 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -37.638 44.545 -28.452 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -37.990 43.542 -27.374 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -36.361 44.476 -31.810 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -37.064 45.090 -32.020 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -36.806 43.638 -31.679 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -40.249 61.449 -33.867 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -39.383 61.815 -34.045 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -40.496 61.009 -34.680 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -33.540 61.012 -31.187 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -33.734 60.264 -31.752 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -33.579 61.770 -31.771 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -45.920 44.358 -17.912 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -45.021 44.084 -18.097 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -46.306 43.615 -17.448 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -32.787 46.938 -5.465 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -32.738 47.548 -4.729 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -32.361 47.399 -6.188 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -37.432 47.963 -10.325 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.786 47.634 -9.700 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -36.922 48.481 -10.948 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -35.668 47.254 -8.344 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -35.883 46.488 -7.812 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -35.012 47.726 -7.831 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -40.051 52.893 -12.699 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -40.763 53.428 -13.050 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -39.360 52.949 -13.359 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -36.645 53.103 -11.747 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -37.377 53.331 -11.174 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -36.198 52.389 -11.292 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -37.774 52.265 -14.062 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -37.195 52.415 -13.315 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -37.360 52.736 -14.785 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -36.297 53.298 -16.432 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -36.255 53.075 -17.362 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -35.448 53.696 -16.242 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -39.425 50.562 -11.597 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -39.834 51.377 -11.889 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -38.705 50.422 -12.212 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -38.421 50.008 -8.783 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -38.616 50.613 -9.498 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -38.239 49.174 -9.218 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -43.842 47.619 -16.661 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -44.273 47.174 -15.931 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -44.560 47.991 -17.173 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -42.379 47.573 -9.328 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -43.290 47.630 -9.039 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -41.874 47.513 -8.517 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -43.898 49.202 -12.845 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -42.966 49.331 -12.667 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -44.113 49.872 -13.494 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -45.224 50.397 -15.278 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -45.766 50.017 -15.969 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -44.390 50.591 -15.707 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -35.834 55.288 -13.276 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -36.111 54.560 -12.720 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -34.907 55.407 -13.070 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -41.403 48.592 -11.878 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -40.591 49.096 -11.832 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -41.648 48.447 -10.964 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -40.519 45.673 -10.940 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -40.866 46.291 -10.295 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -39.861 46.174 -11.421 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -44.862 46.736 -14.252 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -44.945 47.625 -13.906 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -43.972 46.471 -14.021 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -43.863 53.289 -14.520 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -44.322 52.805 -13.834 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -43.608 52.621 -15.156 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -42.792 51.532 -16.257 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -42.972 51.378 -17.185 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -41.841 51.640 -16.213 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -33.402 53.887 -16.812 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -33.675 53.462 -17.625 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -33.362 54.818 -17.029 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -32.943 54.756 -12.837 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -32.093 55.177 -12.709 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -32.938 54.016 -12.229 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -32.549 52.809 -11.013 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -33.275 52.330 -10.615 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -31.968 53.015 -10.281 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -32.281 52.710 -14.622 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -32.802 53.067 -15.341 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -32.314 53.385 -13.944 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -34.762 51.330 -10.450 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -34.912 50.385 -10.470 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -35.116 51.611 -9.606 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -34.438 46.176 -11.939 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -34.256 45.727 -11.114 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -35.038 45.591 -12.403 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -33.607 44.410 -2.254 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -34.420 44.735 -2.642 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -33.374 43.650 -2.787 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -35.035 43.966 -7.819 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -34.431 44.514 -8.320 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -35.904 44.286 -8.059 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.308 45.105 -9.485 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -32.696 44.591 -10.012 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -32.925 45.983 -9.462 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -43.271 44.420 -10.296 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -42.397 44.808 -10.326 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -43.407 44.205 -9.373 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -37.714 44.450 -8.647 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -37.638 44.545 -9.596 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -37.990 43.542 -8.518 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -42.127 46.500 -13.406 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -41.949 45.854 -12.723 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -42.181 47.334 -12.939 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -32.128 63.067 -36.134 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -31.778 62.413 -36.740 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -31.981 63.904 -36.574 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -34.076 62.871 -33.105 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -34.975 63.010 -32.810 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -33.824 63.702 -33.507 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -35.035 62.822 -26.675 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -34.431 63.370 -27.176 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -35.904 63.142 -26.915 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -37.714 63.306 -27.503 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -37.638 63.401 -28.452 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -37.990 62.398 -27.374 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -36.361 63.332 -31.810 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -37.064 63.946 -32.020 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -36.806 62.494 -31.679 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -13.113 -16.812 17.962 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -13.162 -17.767 17.925 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -13.939 -16.544 18.364 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -15.831 -12.944 19.069 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -15.631 -12.520 18.234 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -15.175 -12.601 19.676 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -13.568 -19.771 17.905 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -14.420 -19.533 17.538 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -12.978 -19.788 17.152 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -17.388 -15.186 16.749 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -17.990 -15.741 16.254 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -17.107 -14.519 16.123 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -19.230 -16.962 19.293 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -19.581 -17.818 19.536 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -18.504 -16.819 19.900 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -13.839 -14.715 15.867 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -14.326 -15.450 15.496 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -13.290 -15.108 16.545 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -15.388 -18.925 20.505 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -16.254 -19.030 20.899 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -15.012 -18.166 20.952 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -15.466 -15.661 18.675 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -16.248 -15.847 18.155 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -15.538 -14.732 18.892 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -20.983 -22.520 30.980 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -21.021 -23.166 31.685 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -21.306 -22.986 30.209 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -20.166 -14.476 29.494 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -19.546 -15.153 29.221 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -20.374 -14.694 30.402 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -22.594 -20.087 31.386 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -22.290 -20.773 30.792 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -21.872 -19.969 32.004 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -19.453 -25.693 31.714 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -19.310 -26.640 31.734 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -19.559 -25.486 30.785 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -18.576 -27.461 27.387 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -17.930 -27.790 28.012 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -18.066 -26.943 26.764 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -24.522 -23.645 28.964 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -23.906 -24.171 29.473 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -25.108 -24.285 28.560 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -24.919 -20.998 33.348 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -25.659 -20.400 33.451 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -24.205 -20.444 33.032 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -16.812 -28.170 29.368 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -17.027 -28.936 29.900 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -16.156 -27.698 29.881 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -15.668 -19.493 35.241 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -15.528 -20.084 34.502 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -15.500 -18.620 34.885 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -21.195 -22.531 25.013 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -21.907 -21.996 24.662 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -20.504 -22.475 24.353 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -13.826 -23.153 33.307 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -14.478 -22.458 33.396 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -13.361 -22.943 32.497 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -17.789 -22.321 25.965 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -18.521 -22.093 26.538 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -17.342 -23.035 26.420 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -17.892 -24.147 35.033 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -17.812 -23.384 35.605 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -18.493 -23.868 34.342 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -26.144 -21.691 27.848 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -26.474 -22.061 27.029 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -25.556 -22.361 28.194 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -24.777 -18.263 30.529 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -24.872 -18.841 29.772 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -24.048 -18.634 31.025 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -25.777 -22.922 31.481 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -25.212 -22.801 30.718 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -25.458 -22.285 32.120 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -19.468 -17.419 32.215 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -19.709 -16.757 32.863 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -19.666 -18.253 32.640 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -18.918 -23.159 23.650 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -18.339 -23.009 24.397 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -18.504 -22.688 22.927 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -13.113 -16.812 36.818 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -13.162 -17.767 36.781 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -13.939 -16.544 37.220 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -22.134 -17.238 35.694 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -22.047 -16.412 36.169 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -22.998 -17.568 35.943 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -21.720 -13.466 25.500 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -21.795 -13.587 24.554 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -21.687 -12.516 25.619 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -18.618 -14.312 22.503 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -18.243 -15.056 22.032 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -18.614 -14.582 23.421 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -18.949 -14.386 25.252 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -19.884 -14.286 25.431 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -18.669 -15.095 25.830 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -17.441 -22.126 21.280 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -17.399 -22.349 20.350 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -16.592 -21.728 21.470 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -20.569 -24.862 26.115 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -20.978 -24.047 25.823 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -19.849 -25.002 25.500 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -19.565 -25.416 28.929 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -19.760 -24.811 28.214 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -19.383 -26.250 28.494 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -20.301 -23.778 33.600 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -19.977 -24.409 32.957 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -20.741 -24.313 34.261 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -22.203 -25.063 30.271 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -21.639 -25.610 29.724 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -22.351 -25.585 31.060 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -23.033 -20.462 24.370 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -23.777 -20.969 24.047 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -23.167 -20.413 25.316 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -15.883 -21.329 33.156 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -15.241 -20.872 32.613 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -16.713 -21.216 32.694 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -21.513 -20.278 35.607 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -21.859 -20.659 36.413 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -21.713 -19.344 35.678 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -18.417 -25.781 24.230 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -17.525 -25.918 24.549 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -18.360 -24.990 23.693 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -20.907 -19.003 23.395 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -21.202 -18.177 23.777 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -21.610 -19.623 23.591 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -19.263 -17.816 35.557 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -20.164 -17.633 35.289 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -19.229 -17.557 36.478 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -13.532 -25.571 23.924 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -14.086 -25.967 23.252 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -13.431 -24.661 23.647 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -13.568 -19.771 36.761 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -14.420 -19.533 36.394 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -12.978 -19.788 36.008 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -25.533 -17.649 27.544 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.006 -16.876 27.343 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -26.413 -17.424 27.242 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -24.106 -19.986 27.120 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -24.347 -19.061 27.162 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -24.846 -20.445 27.516 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -23.591 -15.837 33.435 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -23.228 -14.982 33.202 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -23.059 -16.129 34.176 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -25.422 -14.964 26.665 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -26.372 -14.859 26.717 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -25.071 -14.144 27.010 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -20.047 -19.738 33.136 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -20.473 -19.965 33.962 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -19.466 -20.476 32.953 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -17.844 -18.809 22.210 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -17.491 -19.189 23.014 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -18.793 -18.902 22.296 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -17.388 -15.186 35.605 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -17.990 -15.741 35.110 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -17.107 -14.519 34.979 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -16.978 -20.136 24.436 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -17.255 -20.864 24.992 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -16.051 -20.017 24.642 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -24.816 -18.127 23.113 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -24.669 -18.647 23.903 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -24.819 -17.220 23.419 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -22.078 -16.429 23.862 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -22.895 -15.932 23.915 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -21.549 -15.954 23.222 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -17.205 -24.188 29.950 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -18.002 -24.603 29.621 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -16.760 -24.879 30.441 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -16.118 -14.932 31.572 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -16.274 -14.254 30.915 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -15.186 -14.860 31.775 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -21.715 -15.834 20.795 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -22.359 -16.465 21.117 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -20.953 -16.365 20.563 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -20.804 -19.060 20.622 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -21.072 -18.880 21.523 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -21.010 -19.986 20.491 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -18.107 -20.565 35.570 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -17.362 -19.977 35.450 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -18.864 -19.983 35.633 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -25.007 -22.135 23.192 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -25.466 -22.619 23.878 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -24.752 -22.803 22.556 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -14.546 -21.537 20.900 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -14.819 -21.962 20.087 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -14.506 -20.606 20.683 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -23.384 -23.078 34.363 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -22.633 -23.234 33.790 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -23.723 -22.226 34.087 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -13.402 -14.282 31.801 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -13.424 -14.097 32.740 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -12.712 -13.713 31.460 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -13.839 -14.715 34.723 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -14.326 -15.450 34.352 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -13.290 -15.108 35.401 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -15.447 -16.952 33.954 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -16.095 -16.627 34.579 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -15.965 -17.392 33.279 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -13.425 -22.714 23.090 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -13.946 -22.357 22.371 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -13.458 -22.039 23.768 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -15.050 -22.124 36.901 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -14.467 -22.858 37.092 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -14.486 -21.352 36.947 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -16.196 -26.511 25.724 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -15.916 -27.418 25.849 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -15.437 -26.077 25.335 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -15.584 -25.930 31.160 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -14.651 -25.718 31.126 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -15.819 -25.828 32.083 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -15.555 -25.193 33.936 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -16.398 -24.925 34.302 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -15.112 -24.371 33.725 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -21.745 -13.544 32.428 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -22.202 -13.015 31.774 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -21.582 -12.941 33.153 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -19.418 -14.666 33.373 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -20.322 -14.501 33.107 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -18.989 -13.813 33.307 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -16.813 -13.096 33.668 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -16.995 -12.180 33.457 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -16.637 -13.506 32.821 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -24.830 -15.229 30.636 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -24.617 -16.117 30.349 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -24.765 -15.263 31.591 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -21.393 -13.975 22.701 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -20.527 -13.609 22.523 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -21.640 -14.415 21.888 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -13.113 2.044 17.962 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -13.162 1.089 17.925 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -13.939 2.312 18.364 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -15.831 5.912 19.069 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -15.631 6.336 18.234 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -15.175 6.255 19.676 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -17.388 3.670 16.749 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -17.990 3.115 16.254 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -17.107 4.337 16.123 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -13.839 4.141 15.867 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -14.326 3.406 15.496 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -13.290 3.748 16.545 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -13.272 -12.357 20.434 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -12.922 -13.011 19.828 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -13.125 -11.520 19.994 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -13.752 -10.248 18.783 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -14.669 -9.977 18.747 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -13.629 -10.783 17.999 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -22.014 3.967 18.278 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -21.829 3.633 19.156 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -21.167 4.276 17.956 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -19.669 5.252 17.522 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -18.992 4.620 17.282 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -19.347 5.654 18.330 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -14.751 -12.158 16.602 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -15.564 -11.833 16.214 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -14.518 -12.918 16.069 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -16.813 5.760 14.812 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -16.995 6.676 14.601 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -16.637 5.350 13.965 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -18.642 -12.878 19.982 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -18.566 -13.304 20.836 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -17.749 -12.864 19.640 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -13.931 -9.630 32.247 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -13.882 -9.020 32.983 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -13.505 -9.169 31.524 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -13.539 -8.152 34.483 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -14.228 -7.494 34.388 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -13.524 -8.349 35.420 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -16.812 -9.314 29.368 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -17.027 -10.080 29.900 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -16.156 -8.842 29.881 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -13.826 -4.297 33.307 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -14.478 -3.602 33.396 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -13.361 -4.087 32.497 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -14.030 1.813 21.840 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -13.957 2.752 22.010 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -13.125 1.508 21.783 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -21.720 5.390 25.500 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -21.795 5.269 24.554 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -21.687 6.340 25.619 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -18.618 4.544 22.503 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -18.243 3.800 22.032 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -18.614 4.274 23.421 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -18.949 4.470 25.252 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -19.884 4.570 25.431 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -18.669 3.761 25.830 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -15.883 -2.473 33.156 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -15.241 -2.016 32.613 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -16.713 -2.360 32.694 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -13.532 -6.715 23.924 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -14.086 -7.111 23.252 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -13.431 -5.805 23.647 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -15.236 2.071 24.389 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -15.609 1.245 24.699 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -14.959 1.888 23.492 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -13.340 4.527 22.411 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -12.597 5.113 22.271 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -14.035 5.095 22.744 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -19.747 -9.704 24.999 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -19.527 -9.232 24.196 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -19.189 -9.309 25.670 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -17.205 -5.332 29.950 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -18.002 -5.747 29.621 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -16.760 -6.023 30.441 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -21.715 3.022 20.795 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -22.359 2.391 21.117 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -20.953 2.491 20.563 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -17.111 2.839 21.029 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -16.828 2.045 21.482 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -16.371 3.072 20.468 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -24.038 5.655 22.456 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.105 5.813 22.600 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -24.302 6.330 21.831 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -13.402 4.574 31.801 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -13.424 4.759 32.740 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -12.712 5.143 31.460 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -14.087 -1.812 24.875 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -13.237 -1.391 25.003 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -14.082 -2.552 25.483 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -13.693 -3.759 26.699 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -14.419 -4.238 27.097 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -13.112 -3.553 27.431 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -13.934 -0.974 31.647 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -13.100 -1.352 31.366 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -13.822 -0.031 31.528 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -13.425 -3.858 23.090 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -13.946 -3.501 22.371 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -13.458 -3.183 23.768 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -15.906 -5.238 27.262 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.056 -6.183 27.242 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.260 -4.957 28.106 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -15.828 -9.210 20.758 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -15.218 -9.582 21.395 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -16.665 -9.632 20.954 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -16.196 -7.655 25.724 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -15.916 -8.562 25.849 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -15.437 -7.221 25.335 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -15.584 -7.074 31.160 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -14.651 -6.862 31.126 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -15.819 -6.972 32.083 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -15.555 -6.337 33.936 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -16.398 -6.069 34.302 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -15.112 -5.515 33.725 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -15.582 -10.392 25.773 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -15.400 -10.841 26.598 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -16.182 -10.977 25.309 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -13.716 -10.325 22.301 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -13.303 -11.046 21.825 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -13.034 -9.655 22.359 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -16.664 4.664 27.373 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -16.011 4.317 26.765 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -16.153 5.153 28.019 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -16.179 -12.602 29.893 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -15.575 -12.054 29.392 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -17.048 -12.282 29.653 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -14.452 -11.463 28.227 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -13.840 -11.977 27.700 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -14.069 -10.585 28.250 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -18.858 -12.118 29.065 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -18.782 -12.023 28.116 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -19.134 -13.026 29.194 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -17.505 -12.092 24.758 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -18.208 -11.478 24.548 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -17.950 -12.930 24.889 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -21.393 4.881 22.701 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -20.527 5.247 22.523 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -21.640 4.441 21.888 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -14.684 4.444 25.381 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -14.878 3.696 24.816 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -14.723 5.202 24.797 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -19.916 15.937 -10.151 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -19.827 16.881 -10.283 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -20.555 15.662 -10.809 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -20.983 15.192 -6.732 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -21.021 14.546 -6.027 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -21.306 14.726 -7.503 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -28.615 14.807 -5.139 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -28.573 14.181 -4.415 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -27.912 15.430 -4.957 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -17.277 18.131 -8.430 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -17.718 17.411 -7.980 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -17.290 18.852 -7.800 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -27.691 19.257 -6.604 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -28.061 18.455 -6.973 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -26.750 19.088 -6.557 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -22.594 17.625 -6.326 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -22.290 16.939 -6.920 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -21.872 17.743 -5.708 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -13.539 10.704 -3.229 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.228 11.362 -3.324 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -13.524 10.507 -2.292 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -20.119 18.538 -11.108 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -20.415 18.216 -11.959 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -20.443 19.438 -11.066 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -17.354 19.653 -10.948 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -17.611 18.963 -11.560 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -17.283 19.210 -10.103 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -13.826 14.559 -4.405 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -14.478 15.254 -4.316 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -13.361 14.769 -5.215 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -17.892 13.565 -2.679 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -17.812 14.328 -2.107 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -18.493 13.844 -3.370 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -24.777 19.449 -7.183 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -24.872 18.871 -7.940 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -24.048 19.078 -6.687 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -25.777 14.790 -6.231 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -25.212 14.911 -6.994 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -25.458 15.427 -5.592 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -19.468 20.293 -5.497 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -19.709 20.955 -4.849 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -19.666 19.459 -5.072 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -31.061 17.454 -3.460 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -31.562 17.426 -4.275 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -31.055 16.548 -3.150 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -31.310 20.234 -6.576 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -30.364 20.090 -6.595 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -31.423 21.018 -6.039 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -21.720 24.246 -12.212 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -21.795 24.125 -13.158 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -21.687 25.196 -12.093 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -28.066 23.035 -10.431 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -27.914 22.687 -9.552 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -28.917 22.679 -10.686 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -18.618 23.400 -15.209 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -18.243 22.656 -15.680 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -18.614 23.130 -14.291 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -15.961 12.393 -0.414 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -16.368 12.874 -1.134 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -15.920 11.488 -0.721 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -26.102 12.213 -5.326 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -26.744 12.172 -4.617 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -26.065 13.139 -5.564 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -21.467 13.025 -0.109 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -22.030 12.321 0.211 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -20.641 12.905 0.358 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -28.352 12.533 -3.459 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -28.390 12.933 -2.591 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -28.843 11.716 -3.369 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -20.301 13.934 -4.112 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -19.977 13.303 -4.755 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -20.741 13.399 -3.451 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -15.883 16.383 -4.556 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -15.241 16.840 -5.099 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -16.713 16.496 -5.018 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -27.908 16.545 -7.573 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -27.163 16.543 -8.174 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -27.830 15.721 -7.091 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -20.907 18.709 -14.317 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -21.202 19.535 -13.935 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -21.610 18.089 -14.121 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -30.900 15.006 -2.258 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -30.677 14.588 -1.426 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -31.502 14.393 -2.680 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -23.883 14.523 -0.045 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -24.179 14.357 -0.940 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -22.952 14.303 -0.055 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -15.236 20.927 -13.323 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -15.609 20.101 -13.013 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -14.959 20.744 -14.220 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -18.076 15.735 -6.301 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -19.004 15.503 -6.328 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -17.625 14.958 -6.631 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -25.533 20.063 -10.168 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -25.006 20.836 -10.369 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -26.413 20.288 -10.470 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -23.591 21.875 -4.277 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -23.228 22.730 -4.510 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -23.059 21.583 -3.536 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -25.422 22.748 -11.047 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -26.372 22.853 -10.995 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -25.071 23.568 -10.702 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -13.340 23.383 -15.301 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -12.597 23.969 -15.441 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -14.035 23.951 -14.968 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -16.978 17.576 -13.276 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -17.255 16.848 -12.720 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -16.051 17.695 -13.070 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -22.078 21.283 -13.850 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -22.895 21.780 -13.797 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -21.549 21.758 -14.490 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -22.011 11.866 -2.693 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -21.892 12.440 -1.936 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -21.356 11.178 -2.578 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -24.740 22.326 -13.868 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -24.579 23.126 -14.369 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -24.937 22.633 -12.983 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -29.693 20.838 -11.242 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -30.525 21.311 -11.215 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -29.147 21.348 -11.841 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -30.404 23.451 0.088 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.864 23.234 0.847 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -30.885 22.645 -0.102 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -30.497 17.261 1.042 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -30.353 16.359 0.756 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -31.270 17.547 0.554 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -29.665 14.461 0.462 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -29.257 13.604 0.341 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -29.925 14.476 1.383 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -25.718 13.470 -2.164 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -26.336 14.145 -1.883 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -25.374 13.791 -2.997 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -25.378 10.825 -1.081 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -25.228 10.096 -1.684 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -25.376 11.602 -1.640 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -23.384 14.634 -3.349 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -22.633 14.478 -3.922 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -23.723 15.486 -3.625 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -18.968 12.449 1.679 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -18.776 11.518 1.568 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -18.111 12.874 1.669 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -17.652 15.238 -0.243 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -17.933 15.947 -0.821 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -16.709 15.165 -0.394 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -26.900 12.023 0.830 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -27.667 11.491 0.620 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -26.221 11.713 0.231 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -22.896 10.973 0.406 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -23.132 10.753 1.308 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -23.679 10.766 -0.103 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -24.038 24.511 -15.256 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -23.105 24.669 -15.112 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -24.302 25.186 -15.881 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -31.821 24.540 -10.696 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -32.468 24.078 -11.229 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -31.466 23.868 -10.113 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -30.951 22.621 -8.891 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -31.285 21.740 -8.719 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -30.729 22.966 -8.027 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -14.087 17.044 -12.837 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -13.237 17.465 -12.709 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -14.082 16.304 -12.229 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -13.693 15.097 -11.013 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -14.419 14.618 -10.615 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -13.112 15.303 -10.281 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -13.934 17.882 -6.065 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -13.100 17.504 -6.346 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -13.822 18.825 -6.184 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -30.871 15.696 -6.440 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -30.687 15.614 -7.375 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -30.022 15.572 -6.016 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -13.553 13.491 -0.127 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -14.416 13.112 -0.292 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -12.949 12.752 -0.201 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -15.555 12.519 -3.776 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -16.398 12.787 -3.410 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -15.112 13.341 -3.987 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -29.508 23.303 -6.579 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -29.527 22.878 -5.722 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -28.703 22.985 -6.988 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -27.367 22.013 -7.924 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -27.586 21.097 -7.755 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -26.543 22.153 -7.458 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -21.393 23.737 -15.011 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -20.527 24.103 -15.189 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -21.640 23.297 -15.824 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -14.684 23.300 -12.331 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -14.878 22.552 -12.896 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -14.723 24.058 -12.915 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -28.615 14.807 13.717 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -28.573 14.181 14.441 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -27.912 15.430 13.899 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -27.691 19.257 12.252 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -28.061 18.455 11.883 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -26.750 19.088 12.299 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -31.081 12.917 7.645 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -31.529 13.763 7.627 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -31.642 12.337 7.130 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -30.371 15.079 9.771 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -30.157 14.309 10.298 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -29.633 15.168 9.168 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -13.931 9.226 13.391 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -13.882 9.836 14.127 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -13.505 9.687 12.668 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -19.453 12.019 12.858 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -19.310 11.072 12.878 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -19.559 12.226 11.929 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -26.298 10.120 10.130 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -26.255 10.980 9.712 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -26.756 9.568 9.497 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -18.576 10.251 8.531 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -17.930 9.922 9.156 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -18.066 10.769 7.908 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -24.522 14.067 10.108 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -23.906 13.541 10.617 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -25.108 13.427 9.704 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -13.539 10.704 15.627 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -14.228 11.362 15.532 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -13.524 10.507 16.564 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -24.919 16.714 14.492 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -25.659 17.312 14.595 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -24.205 17.268 14.176 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -16.812 9.542 10.512 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -17.027 8.776 11.044 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -16.156 10.014 11.025 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -26.511 18.678 15.279 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -26.517 19.557 14.901 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -27.365 18.595 15.704 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -16.765 19.971 12.774 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -17.707 20.029 12.935 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -16.489 20.877 12.637 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -16.465 8.257 14.191 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -17.201 8.868 14.153 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -15.781 8.672 13.665 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -21.195 15.181 6.157 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -21.907 15.716 5.806 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -20.504 15.237 5.497 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -21.141 13.639 3.196 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -20.440 13.661 3.847 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -20.839 13.011 2.540 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -25.777 14.790 12.625 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -25.212 14.911 11.862 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -25.458 15.427 13.264 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -18.918 14.553 4.794 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -18.339 14.703 5.541 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -18.504 15.024 4.071 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -27.977 15.387 16.571 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -27.907 16.038 17.269 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -28.868 15.490 16.236 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -26.658 21.261 18.106 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -26.650 21.125 17.158 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -27.574 21.143 18.358 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -31.310 20.234 12.280 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -30.364 20.090 12.261 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -31.423 21.018 12.817 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -13.113 20.900 17.962 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -13.162 19.945 17.925 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -13.939 21.168 18.364 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -28.812 18.777 16.439 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -28.595 18.416 17.299 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -29.667 18.403 16.229 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -21.530 6.969 15.809 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -21.110 6.554 16.562 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -22.463 6.791 15.926 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -26.102 12.213 13.530 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -26.744 12.172 14.239 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -26.065 13.139 13.292 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -26.105 12.434 8.442 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -26.998 12.093 8.383 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -25.654 12.057 7.686 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -20.569 12.850 7.259 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -20.978 13.665 6.967 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -19.849 12.710 6.644 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -19.565 12.296 10.073 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -19.760 12.901 9.358 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -19.383 11.462 9.638 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -24.986 9.907 2.195 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -25.417 9.462 2.925 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -25.704 10.279 1.683 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -23.523 9.861 9.528 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -24.434 9.918 9.817 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -23.018 9.801 10.339 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -28.695 11.490 8.355 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -29.584 11.590 8.015 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -28.399 10.648 8.009 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -25.042 11.490 6.011 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -24.110 11.619 6.189 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -25.257 12.160 5.362 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -19.118 9.096 12.792 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -19.795 9.227 13.456 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -19.604 8.941 11.982 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -26.368 12.685 3.578 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -26.910 12.305 2.887 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -25.534 12.879 3.149 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -15.831 24.768 19.069 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -15.631 25.192 18.234 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -15.175 25.111 19.676 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -28.233 17.242 18.677 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -27.500 17.496 19.238 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -29.013 17.446 19.192 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -23.577 11.037 13.829 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -24.412 11.491 13.939 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -23.053 11.313 14.581 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -18.417 11.931 5.374 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -17.525 11.794 5.693 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -18.360 12.722 4.837 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -27.908 16.545 11.283 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -27.163 16.543 10.682 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -27.830 15.721 11.765 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -13.532 12.141 5.068 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -14.086 11.745 4.396 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -13.431 13.051 4.791 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -29.778 14.925 3.275 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -29.162 15.552 3.654 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -30.640 15.241 3.546 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -29.615 21.564 14.591 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -29.398 20.632 14.560 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -29.368 21.838 15.475 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -20.531 9.500 15.046 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -19.833 9.574 15.696 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -20.912 8.636 15.201 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -22.547 10.880 6.978 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -21.735 11.384 7.024 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -22.792 10.735 7.892 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -15.807 9.773 16.998 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -16.723 10.036 16.910 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -15.471 9.770 16.101 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -17.205 13.524 11.094 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -18.002 13.109 10.765 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -16.760 12.833 11.585 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -29.431 12.116 2.780 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -29.476 13.055 2.959 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -30.319 11.880 2.510 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -16.118 22.780 12.716 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -16.274 23.458 12.059 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -15.186 22.852 12.919 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -25.807 22.370 20.564 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -25.039 21.911 20.905 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -25.828 22.144 19.634 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -25.718 13.470 16.692 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -26.336 14.145 16.973 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -25.374 13.791 15.859 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -23.936 13.820 2.599 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -24.116 13.666 1.671 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -22.985 13.928 2.643 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -25.378 10.825 17.775 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -25.228 10.096 17.172 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -25.376 11.602 17.216 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -24.966 9.195 15.267 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -24.430 9.646 14.615 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -25.818 9.087 14.845 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -26.900 12.023 19.686 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -27.667 11.491 19.476 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -26.221 11.713 19.087 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -24.160 6.651 15.699 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -24.258 7.598 15.593 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -24.903 6.279 15.223 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -23.938 5.945 18.370 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -23.226 5.305 18.356 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -24.039 6.212 17.456 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -23.585 7.628 20.424 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -23.716 7.152 19.603 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -24.184 8.372 20.368 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -30.470 19.147 3.083 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -29.556 19.226 3.356 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -30.463 18.460 2.416 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -31.821 24.540 8.160 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -32.468 24.078 7.627 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -31.466 23.868 8.743 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -30.951 22.621 9.965 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -31.285 21.740 10.137 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -30.729 22.966 10.829 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -13.402 23.430 12.945 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -13.424 23.615 13.884 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -12.712 23.999 12.604 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -13.839 22.997 15.867 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -14.326 22.262 15.496 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -13.290 22.604 16.545 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -13.934 17.882 12.791 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -13.100 17.504 12.510 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -13.822 18.825 12.672 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -15.447 20.760 15.098 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -16.095 21.085 15.723 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -15.965 20.320 14.423 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -15.076 12.238 2.785 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -14.979 12.905 2.105 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -15.216 11.422 2.303 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.906 13.618 8.406 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -16.056 12.673 8.386 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -16.260 13.899 9.250 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -30.871 15.696 12.416 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -30.687 15.614 11.481 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -30.022 15.572 12.840 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -15.828 9.646 1.902 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -15.218 9.274 2.539 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -16.665 9.224 2.098 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -16.196 11.201 6.868 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -15.916 10.294 6.993 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -15.437 11.635 6.479 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -15.584 11.782 12.304 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -14.651 11.994 12.270 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -15.819 11.884 13.227 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -13.272 6.499 20.434 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -12.922 5.845 19.828 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -13.125 7.336 19.994 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -13.752 8.608 18.783 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -14.669 8.879 18.747 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -13.629 8.073 17.999 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -29.279 20.449 19.060 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -30.100 20.624 18.600 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -29.531 20.376 19.981 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -14.751 6.698 16.602 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -15.564 7.023 16.214 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -14.518 5.938 16.069 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -28.923 24.680 15.366 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -29.643 25.120 14.915 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -29.289 24.429 16.215 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -16.813 24.616 14.812 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -16.995 25.532 14.601 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -16.637 24.206 13.965 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -29.508 23.303 12.277 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -29.527 22.878 13.134 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -28.703 22.985 11.868 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -27.367 22.013 10.932 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -27.586 21.097 11.101 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -26.543 22.153 11.398 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -30.257 22.527 5.448 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -30.942 22.489 4.780 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -30.254 23.440 5.736 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -27.064 6.646 19.800 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -26.165 6.372 19.615 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -27.450 5.903 20.264 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -18.642 5.978 19.982 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -18.566 5.552 20.836 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -17.749 5.992 19.640 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -15.466 22.051 18.675 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -16.248 21.865 18.155 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -15.538 22.980 18.892 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -19.916 15.937 27.561 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -19.827 16.881 27.429 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -20.555 15.662 26.903 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -13.931 9.226 32.247 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -13.882 9.836 32.983 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -13.505 9.687 31.524 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -18.576 10.251 27.387 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -17.930 9.922 28.012 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -18.066 10.769 26.764 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -20.119 18.538 26.604 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -20.415 18.216 25.753 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -20.443 19.438 26.646 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -16.812 9.542 29.368 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -17.027 8.776 29.900 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -16.156 10.014 29.881 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -17.354 19.653 26.764 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -17.611 18.963 26.152 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -17.283 19.210 27.609 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -21.195 15.181 25.013 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -21.907 15.716 24.662 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -20.504 15.237 24.353 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -17.789 15.391 25.965 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -18.521 15.619 26.538 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -17.342 14.677 26.420 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -18.918 14.553 23.650 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -18.339 14.703 24.397 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -18.504 15.024 22.927 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -15.220 6.303 23.463 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -16.119 6.442 23.758 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -14.968 7.134 23.061 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -18.618 23.400 22.503 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -18.243 22.656 22.032 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -18.614 23.130 23.421 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -18.949 23.326 25.252 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -19.884 23.426 25.431 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -18.669 22.617 25.830 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -20.569 12.850 26.115 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -20.978 13.665 25.823 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -19.849 12.710 25.500 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -19.565 12.296 28.929 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -19.760 12.901 28.214 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -19.383 11.462 28.494 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -24.986 9.907 21.051 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -25.417 9.462 21.781 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -25.704 10.279 20.539 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -25.042 11.490 24.867 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.110 11.619 25.045 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -25.257 12.160 24.218 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -26.368 12.685 22.434 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -26.910 12.305 21.743 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -25.534 12.879 22.005 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -23.033 17.250 24.370 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -23.777 16.743 24.047 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -23.167 17.299 25.316 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -18.417 11.931 24.230 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -17.525 11.794 24.549 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -18.360 12.722 23.693 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -20.907 18.709 23.395 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -21.202 19.535 23.777 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.610 18.089 23.591 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -15.236 20.927 24.389 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -15.609 20.101 24.699 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -14.959 20.744 23.492 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -13.340 23.383 22.411 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -12.597 23.969 22.271 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -14.035 23.951 22.744 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -16.978 17.576 24.436 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -17.255 16.848 24.992 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -16.051 17.695 24.642 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -24.816 19.585 23.113 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -24.669 19.065 23.903 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -24.819 20.492 23.419 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -19.747 9.152 24.999 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -19.527 9.624 24.196 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -19.189 9.547 25.670 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -22.078 21.283 23.862 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -22.895 21.780 23.915 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -21.549 21.758 23.222 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -22.547 10.880 25.834 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -21.735 11.384 25.880 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -22.792 10.735 26.748 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -21.663 7.961 26.772 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -22.010 8.579 27.417 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -21.005 8.462 26.291 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -24.740 22.326 23.844 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -24.579 23.126 23.343 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -24.937 22.633 24.729 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -26.006 9.024 23.460 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -26.089 9.913 23.806 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -25.116 8.759 23.691 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -17.205 13.524 29.950 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -18.002 13.109 29.621 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -16.760 12.833 30.441 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -27.747 19.452 22.520 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -27.155 20.151 22.796 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -27.288 19.019 21.801 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -26.156 17.605 20.886 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -26.092 16.811 21.417 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -25.503 17.486 20.197 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -25.007 15.577 23.192 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -25.466 15.093 23.878 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -24.752 14.909 22.556 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -24.038 24.511 22.456 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -23.105 24.669 22.600 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.302 25.186 21.831 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -14.087 17.044 24.875 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -13.237 17.465 25.003 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -14.082 16.304 25.483 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -13.693 15.097 26.699 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -14.419 14.618 27.097 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -13.112 15.303 27.431 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -15.906 13.618 27.262 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -16.056 12.673 27.242 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -16.260 13.899 28.106 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -15.584 11.782 31.160 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -14.651 11.994 31.126 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -15.819 11.884 32.083 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -16.179 6.254 29.893 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -15.575 6.802 29.392 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -17.048 6.574 29.653 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -14.452 7.393 28.227 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -13.840 6.879 27.700 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -14.069 8.271 28.250 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -18.858 6.738 29.065 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -18.782 6.833 28.116 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -19.134 5.830 29.194 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -17.505 6.764 24.758 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -18.208 7.378 24.548 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -17.950 5.926 24.889 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -23.271 8.788 24.306 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -23.093 8.142 24.989 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -23.325 9.622 24.773 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -21.393 23.737 22.701 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -20.527 24.103 22.523 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -21.640 23.297 21.888 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -14.684 23.300 25.381 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -14.878 22.552 24.816 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -14.723 24.058 24.797 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -30.404 42.307 -37.624 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -29.864 42.090 -36.865 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -30.885 41.501 -37.814 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -28.923 43.536 -41.202 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -29.643 43.976 -41.653 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -29.289 43.285 -40.353 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -28.615 33.663 -23.995 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -28.573 33.037 -23.271 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -27.912 34.286 -23.813 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -27.691 38.113 -25.460 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -28.061 37.311 -25.829 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -26.750 37.944 -25.413 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -27.488 27.894 -23.508 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -27.707 28.424 -24.274 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -28.156 28.121 -22.860 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -24.919 35.570 -23.220 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -25.659 36.168 -23.117 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -24.205 36.124 -23.536 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -27.894 29.786 -25.555 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -27.281 30.419 -25.182 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -27.382 29.314 -26.212 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -26.511 37.534 -22.433 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -26.517 38.413 -22.811 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -27.365 37.451 -22.008 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -25.777 33.646 -25.087 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -25.212 33.767 -25.850 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -25.458 34.283 -24.448 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -24.897 38.045 -20.370 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -25.209 38.827 -19.914 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -25.547 37.892 -21.056 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -26.658 40.117 -19.606 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -26.650 39.981 -20.554 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -27.574 39.999 -19.354 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -31.061 36.310 -22.316 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -31.562 36.282 -23.131 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -31.055 35.404 -22.006 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -31.310 39.090 -25.432 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -30.364 38.946 -25.451 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -31.423 39.874 -24.895 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -28.066 41.891 -29.287 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -27.914 41.543 -28.408 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -28.917 41.535 -29.542 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -15.961 31.249 -19.270 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -16.368 31.730 -19.990 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -15.920 30.344 -19.577 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -28.812 37.633 -21.273 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -28.595 37.272 -20.413 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -29.667 37.259 -21.483 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -18.204 29.581 -21.049 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -18.718 29.455 -20.252 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -18.359 30.493 -21.294 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -26.102 31.069 -24.182 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -26.744 31.028 -23.473 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -26.065 31.995 -24.420 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -21.467 31.881 -18.965 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -22.030 31.177 -18.645 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -20.641 31.761 -18.498 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -28.352 31.389 -22.315 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -28.390 31.789 -21.447 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -28.843 30.572 -22.225 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -21.513 36.290 -20.961 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -21.859 35.909 -20.155 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -21.713 37.224 -20.890 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -27.908 35.401 -26.429 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -27.163 35.399 -27.030 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -27.830 34.577 -25.947 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -23.883 33.379 -18.901 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -24.179 33.213 -19.796 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -22.952 33.159 -18.911 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -29.266 28.615 -21.556 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -30.159 28.954 -21.623 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -29.365 27.760 -21.138 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -29.615 40.420 -23.121 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -29.398 39.488 -23.152 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -29.368 40.694 -22.237 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -22.011 30.722 -21.549 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -21.892 31.296 -20.792 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -21.356 30.034 -21.434 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -29.693 39.694 -30.098 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -30.525 40.167 -30.071 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -29.147 40.204 -30.697 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -23.842 36.087 -18.381 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -24.170 36.358 -19.239 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -23.690 35.146 -18.469 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -25.718 32.326 -21.020 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -26.336 33.001 -20.739 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -25.374 32.647 -21.853 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -20.698 34.797 -17.742 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -19.745 34.881 -17.770 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -20.858 34.086 -17.123 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -25.378 29.681 -19.937 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -25.228 28.952 -20.540 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -25.376 30.458 -20.496 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -23.384 33.490 -22.205 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -22.633 33.334 -22.778 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -23.723 34.342 -22.481 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -17.652 34.094 -19.099 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -17.933 34.803 -19.677 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -16.709 34.021 -19.250 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -26.900 30.879 -18.026 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -27.667 30.347 -18.236 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -26.221 30.569 -18.625 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -22.896 29.829 -18.450 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -23.132 29.609 -17.548 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -23.679 29.622 -18.959 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -20.180 28.956 -19.374 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -21.128 28.988 -19.242 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -19.868 28.331 -18.720 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -18.546 27.590 -17.369 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -18.643 26.638 -17.375 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -18.868 27.859 -16.508 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -28.719 28.800 -18.321 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -28.508 28.093 -18.932 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -28.831 28.362 -17.477 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -23.585 26.484 -17.288 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -23.716 26.008 -18.109 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -24.184 27.228 -17.344 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -31.821 43.396 -29.552 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -32.468 42.934 -30.085 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -31.466 42.724 -28.969 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -30.951 41.477 -27.747 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -31.285 40.596 -27.575 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -30.729 41.822 -26.883 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -15.388 37.643 -17.207 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -16.254 37.538 -16.813 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -15.012 38.402 -16.760 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -30.871 34.552 -25.296 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -30.687 34.470 -26.231 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -30.022 34.428 -24.872 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -15.050 34.444 -19.667 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -14.467 33.710 -19.476 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -14.486 35.216 -19.621 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -13.553 32.347 -18.983 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -14.416 31.968 -19.148 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -12.949 31.608 -19.057 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -31.273 29.823 -19.155 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -30.354 29.701 -18.919 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -31.723 29.073 -18.766 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -13.272 25.355 -17.278 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -12.922 24.701 -17.884 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -13.125 26.192 -17.718 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -31.748 31.134 -25.195 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -31.256 30.913 -25.985 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -31.386 31.975 -24.914 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -13.752 27.464 -18.929 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -14.669 27.735 -18.965 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -13.629 26.929 -19.713 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -26.325 40.280 -22.393 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -26.750 41.089 -22.676 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -25.420 40.365 -22.695 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -22.014 41.679 -19.434 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -21.829 41.345 -18.556 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -21.167 41.988 -19.756 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -26.456 43.136 -23.316 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -27.321 43.208 -22.912 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -26.511 43.683 -24.100 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -27.367 40.869 -26.780 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -27.586 39.953 -26.611 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -26.543 41.009 -26.314 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -24.830 41.339 -25.932 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -24.617 40.451 -26.219 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -24.765 41.305 -24.977 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -29.037 26.151 -19.448 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -29.403 25.386 -19.005 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -28.124 26.180 -19.161 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -28.439 42.303 -35.239 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -28.707 42.590 -34.366 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -27.668 41.757 -35.087 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -18.642 24.834 -17.730 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -18.566 24.408 -16.876 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -17.749 24.848 -18.072 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -20.166 42.092 -8.218 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -19.546 41.415 -8.491 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -20.374 41.874 -7.310 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -29.678 31.373 -7.964 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -29.024 30.823 -7.532 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -29.654 31.099 -8.880 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -24.897 38.045 -1.514 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -25.209 38.827 -1.058 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -25.547 37.892 -2.200 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -26.658 40.117 -0.750 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -26.650 39.981 -1.698 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -27.574 39.999 -0.498 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -15.220 25.159 -14.249 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -16.119 25.298 -13.954 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -14.968 25.990 -14.651 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -14.030 39.525 -15.872 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -13.957 40.464 -15.702 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -13.125 39.220 -15.929 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -22.134 39.330 -2.018 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -22.047 40.156 -1.543 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -22.998 39.000 -1.769 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -21.720 43.102 -12.212 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -21.795 42.981 -13.158 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -21.687 44.052 -12.093 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -18.949 42.182 -12.460 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -19.884 42.282 -12.281 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -18.669 41.473 -11.882 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -21.467 31.881 -0.109 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -22.030 31.177 0.211 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -20.641 31.761 0.358 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -24.986 28.763 -16.661 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -25.417 28.318 -15.931 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -25.704 29.135 -17.173 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -31.744 28.505 -9.609 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -31.113 28.476 -8.889 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -31.294 28.080 -10.339 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -30.469 29.251 -14.185 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -29.995 29.842 -14.770 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -31.187 29.782 -13.838 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -26.368 31.541 -15.278 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -26.910 31.161 -15.969 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -25.534 31.735 -15.707 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -15.831 43.624 0.213 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -15.631 44.048 -0.622 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -15.175 43.967 0.820 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -20.907 37.565 -14.317 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -21.202 38.391 -13.935 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -21.610 36.945 -14.121 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -23.883 33.379 -0.045 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -24.179 33.213 -0.940 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -22.952 33.159 -0.055 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -15.236 39.783 -13.323 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -15.609 38.957 -13.013 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -14.959 39.600 -14.220 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -17.844 37.759 -15.502 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -17.491 37.379 -14.698 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -18.793 37.666 -15.416 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -13.340 42.239 -15.301 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -12.597 42.825 -15.441 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -14.035 42.807 -14.968 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -29.266 28.615 -2.700 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -30.159 28.954 -2.767 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -29.365 27.760 -2.282 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -16.978 36.432 -13.276 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -17.255 35.704 -12.720 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -16.051 36.551 -13.070 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -23.753 38.871 -17.055 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -23.514 38.123 -17.603 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -24.022 38.483 -16.223 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -22.078 40.139 -13.850 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -22.895 40.636 -13.797 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -21.549 40.614 -14.490 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -29.431 30.972 -16.076 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -29.476 31.911 -15.897 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -30.319 30.736 -16.346 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -16.118 41.636 -6.140 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -16.274 42.314 -6.797 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -15.186 41.708 -5.937 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -30.404 42.307 0.088 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -29.864 42.090 0.847 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -30.885 41.501 -0.102 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -25.807 41.226 1.708 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -25.039 40.767 2.049 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -25.828 41.000 0.778 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -21.715 40.734 -16.917 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -22.359 40.103 -16.595 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -20.953 40.203 -17.149 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -30.497 36.117 1.042 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -30.353 35.215 0.756 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -31.270 36.403 0.554 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -23.842 36.087 0.475 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -24.170 36.358 -0.383 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -23.690 35.146 0.387 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -20.804 37.508 -17.090 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -21.072 37.688 -16.189 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -21.010 36.582 -17.221 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -14.546 35.031 -16.812 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -14.819 34.606 -17.625 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -14.506 35.962 -17.029 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -26.900 30.879 0.830 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -27.667 30.347 0.620 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -26.221 30.569 0.231 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -28.719 28.800 0.535 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -28.508 28.093 -0.076 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -28.831 28.362 1.379 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -24.038 43.367 -15.256 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -23.105 43.525 -15.112 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -24.302 44.042 -15.881 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -15.076 31.094 -16.071 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -14.979 31.761 -16.751 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -15.216 30.278 -16.553 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -15.828 28.502 -16.954 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -15.218 28.130 -16.317 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -16.665 28.080 -16.758 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -31.273 29.823 -0.299 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -30.354 29.701 -0.063 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -31.723 29.073 0.090 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -30.052 28.135 -7.408 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -29.607 27.343 -7.106 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -29.586 28.851 -6.977 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -31.748 31.134 -6.339 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -31.256 30.913 -7.129 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -31.386 31.975 -6.058 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -13.716 27.387 -15.411 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -13.303 26.666 -15.887 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -13.034 28.057 -15.353 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -31.435 27.392 -12.284 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -32.360 27.601 -12.414 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -30.981 27.876 -12.974 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -16.664 42.376 -10.339 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -16.011 42.029 -10.947 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -16.153 42.865 -9.693 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -31.471 26.130 -3.940 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -32.136 25.884 -3.297 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -31.914 26.752 -4.517 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -29.279 39.305 0.204 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -30.100 39.480 -0.256 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -29.531 39.232 1.125 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -22.014 41.679 -0.578 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -21.829 41.345 0.300 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -21.167 41.988 -0.900 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -19.669 42.964 -1.334 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -18.992 42.332 -1.574 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -19.347 43.366 -0.526 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -21.745 43.024 -5.284 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -22.202 43.553 -5.938 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -21.582 43.627 -4.559 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -19.418 41.902 -4.339 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -20.322 42.067 -4.605 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -18.989 42.755 -4.405 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -16.813 43.472 -4.044 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -16.995 44.388 -4.255 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -16.637 43.062 -4.891 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -28.995 25.637 -10.109 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -29.772 25.403 -10.617 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -28.464 24.840 -10.101 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -30.158 25.435 -14.306 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -29.719 26.046 -14.897 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -30.792 25.973 -13.832 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -17.505 25.620 -12.954 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -18.208 26.234 -13.164 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -17.950 24.782 -12.823 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -28.297 27.351 -15.863 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -27.806 26.721 -16.391 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -27.674 27.647 -15.200 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -21.393 42.593 -15.011 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -20.527 42.959 -15.189 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -21.640 42.153 -15.824 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -14.684 42.156 -12.331 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -14.878 41.408 -12.896 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -14.723 42.914 -12.915 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -29.037 26.151 -0.592 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -29.403 25.386 -0.149 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -28.124 26.180 -0.305 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -19.916 34.793 8.705 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -19.827 35.737 8.573 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -20.555 34.518 8.047 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -20.983 34.048 12.124 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -21.021 33.402 12.829 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -21.306 33.582 11.353 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -17.277 36.987 10.426 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -17.718 36.267 10.876 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -17.290 37.708 11.056 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -13.931 28.082 13.391 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -13.882 28.692 14.127 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -13.505 28.543 12.668 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -19.453 30.875 12.858 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -19.310 29.928 12.878 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -19.559 31.082 11.929 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -26.298 28.976 10.130 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -26.255 29.836 9.712 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -26.756 28.424 9.497 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -24.522 32.923 10.108 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -23.906 32.397 10.617 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -25.108 32.283 9.704 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -27.488 27.894 14.204 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -27.707 28.424 13.438 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -28.156 28.121 14.852 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -20.119 37.394 7.748 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -20.415 37.072 6.897 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -20.443 38.294 7.790 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -16.812 28.398 10.512 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -17.027 27.632 11.044 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -16.156 28.870 11.025 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -27.894 29.786 12.157 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -27.281 30.419 12.530 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -27.382 29.314 11.500 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -16.465 27.113 14.191 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -17.201 27.724 14.153 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -15.781 27.528 13.665 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -18.513 40.608 9.399 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -18.088 39.901 8.914 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -18.196 41.409 8.982 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -17.354 38.509 7.908 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -17.611 37.819 7.296 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -17.283 38.066 8.753 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -21.195 34.037 6.157 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -21.907 34.572 5.806 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -20.504 34.093 5.497 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -21.141 32.495 3.196 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -20.440 32.517 3.847 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -20.839 31.867 2.540 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -21.192 40.146 8.229 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -20.718 40.441 9.007 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -21.755 40.884 7.996 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -27.154 33.947 6.581 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -27.446 34.715 6.090 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -27.828 33.287 6.418 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -21.720 43.102 6.644 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -21.795 42.981 5.698 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -21.687 44.052 6.763 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -18.949 42.182 6.396 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -19.884 42.282 6.575 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -18.669 41.473 6.974 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -26.102 31.069 13.530 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -26.744 31.028 14.239 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -26.065 31.995 13.292 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -26.105 31.290 8.442 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -26.998 30.949 8.383 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -25.654 30.913 7.686 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -20.569 31.706 7.259 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -20.978 32.521 6.967 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -19.849 31.566 6.644 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -19.565 31.152 10.073 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -19.760 31.757 9.358 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -19.383 30.318 9.638 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -31.744 28.505 9.247 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -31.113 28.476 9.967 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -31.294 28.080 8.517 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -30.469 29.251 4.671 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -29.995 29.842 4.086 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -31.187 29.782 5.018 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -28.695 30.346 8.355 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -29.584 30.446 8.015 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -28.399 29.504 8.009 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -19.118 27.952 12.792 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -19.795 28.083 13.456 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -19.604 27.797 11.982 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -26.368 31.541 3.578 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -26.910 31.161 2.887 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -25.534 31.735 3.149 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -22.203 31.505 11.415 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -21.639 30.958 10.868 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -22.351 30.983 12.204 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -23.577 29.893 13.829 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -24.412 30.347 13.939 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -23.053 30.169 14.581 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -23.033 36.106 5.514 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -23.777 35.599 5.191 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -23.167 36.155 6.460 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -20.907 37.565 4.539 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -21.202 38.391 4.921 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -21.610 36.945 4.735 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.076 34.591 12.555 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -19.004 34.359 12.528 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -17.625 33.814 12.225 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -29.778 33.781 3.275 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -29.162 34.408 3.654 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -30.640 34.097 3.546 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -13.340 42.239 3.555 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -12.597 42.825 3.415 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -14.035 42.807 3.888 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -29.266 28.615 16.156 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -30.159 28.954 16.089 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -29.365 27.760 16.574 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -23.753 38.871 1.801 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -23.514 38.123 1.253 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -24.022 38.483 2.633 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -24.816 38.441 4.257 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -24.669 37.921 5.047 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -24.819 39.348 4.563 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -28.363 35.694 4.767 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -29.049 36.046 5.334 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -27.840 36.457 4.521 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -20.531 28.356 15.046 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -19.833 28.430 15.696 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -20.912 27.492 15.201 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -22.078 40.139 5.006 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -22.895 40.636 5.059 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -21.549 40.614 4.366 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -22.011 30.722 16.163 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -21.892 31.296 16.920 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -21.356 30.034 16.278 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -17.205 32.380 11.094 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -18.002 31.965 10.765 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -16.760 31.689 11.585 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -27.747 38.308 3.664 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -27.155 39.007 3.940 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -27.288 37.875 2.945 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -29.431 30.972 2.780 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -29.476 31.911 2.959 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -30.319 30.736 2.510 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -28.623 25.754 11.453 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -28.852 25.813 10.526 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -29.066 24.962 11.760 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -21.715 40.734 1.939 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -22.359 40.103 2.261 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -20.953 40.203 1.707 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -26.156 36.461 2.030 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -26.092 35.667 2.561 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -25.503 36.342 1.341 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -25.007 34.433 4.336 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -25.466 33.949 5.022 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -24.752 33.765 3.700 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -23.936 32.676 2.599 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -24.116 32.522 1.671 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -22.985 32.784 2.643 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -25.378 29.681 17.775 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -25.228 28.952 17.172 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -25.376 30.458 17.216 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -24.966 28.051 15.267 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -24.430 28.502 14.615 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -25.818 27.943 14.845 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -20.180 28.956 18.338 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -21.128 28.988 18.470 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -19.868 28.331 18.992 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -23.938 24.801 18.370 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -23.226 24.161 18.356 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -24.039 25.068 17.456 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -23.585 26.484 20.424 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -23.716 26.008 19.603 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -24.184 27.228 20.368 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -30.470 38.003 3.083 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -29.556 38.082 3.356 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -30.463 37.316 2.416 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -13.934 36.738 12.791 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -13.100 36.360 12.510 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -13.822 37.681 12.672 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -15.584 30.638 12.304 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -14.651 30.850 12.270 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -15.819 30.740 13.227 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -13.272 25.355 20.434 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -12.922 24.701 19.828 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -13.125 26.192 19.994 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -30.052 28.135 11.448 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -29.607 27.343 11.750 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -29.586 28.851 11.879 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -31.435 27.392 6.572 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -32.360 27.601 6.442 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -30.981 27.876 5.882 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -16.664 42.376 8.517 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -16.011 42.029 7.909 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -16.153 42.865 9.163 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -14.751 25.554 16.602 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -15.564 25.879 16.214 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -14.518 24.794 16.069 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -16.179 25.110 11.037 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -15.575 25.658 10.536 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -17.048 25.430 10.797 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -14.452 26.249 9.371 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -13.840 25.735 8.844 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -14.069 27.127 9.394 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -30.158 25.435 4.550 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -29.719 26.046 3.959 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -30.792 25.973 5.024 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -21.393 42.593 3.845 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -20.527 42.959 3.667 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.640 42.153 3.032 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -14.684 42.156 6.525 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -14.878 41.408 5.960 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -14.723 42.914 5.941 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -29.037 26.151 18.264 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -29.403 25.386 18.707 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -28.124 26.180 18.551 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -27.064 25.502 19.800 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -26.165 25.228 19.615 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -27.450 24.759 20.264 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -18.642 24.834 19.982 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -18.566 24.408 20.836 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -17.749 24.848 19.640 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -15.220 25.159 23.463 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -16.119 25.298 23.758 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -14.968 25.990 23.061 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -20.983 52.904 -44.444 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -21.021 52.258 -43.739 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -21.306 52.438 -45.215 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -27.691 56.969 -44.316 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -28.061 56.167 -44.685 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -26.750 56.800 -44.269 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -31.081 50.629 -48.923 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -31.529 51.475 -48.941 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -31.642 50.049 -49.438 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -22.594 55.337 -44.038 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -22.290 54.651 -44.632 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -21.872 55.455 -43.420 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -26.298 47.832 -46.438 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -26.255 48.692 -46.856 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -26.756 47.280 -47.071 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -24.522 51.779 -46.460 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -23.906 51.253 -45.951 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -25.108 51.139 -46.864 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -27.488 46.750 -42.364 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -27.707 47.280 -43.130 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -28.156 46.977 -41.716 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -26.511 56.390 -41.289 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -26.517 57.269 -41.667 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -27.365 56.307 -40.864 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -26.144 53.733 -47.576 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -26.474 53.363 -48.395 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -25.556 53.063 -47.230 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -24.777 57.161 -44.895 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -24.872 56.583 -45.652 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -24.048 56.790 -44.399 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.897 56.901 -39.226 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -25.209 57.683 -38.770 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -25.547 56.748 -39.912 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -26.658 58.973 -38.462 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -26.650 58.837 -39.410 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -27.574 58.855 -38.210 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -27.154 52.803 -49.987 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -27.446 53.571 -50.478 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -27.828 52.143 -50.150 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -31.310 57.946 -44.288 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -30.364 57.802 -44.307 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -31.423 58.730 -43.751 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -22.134 58.186 -39.730 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -22.047 59.012 -39.255 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -22.998 57.856 -39.481 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -28.812 56.489 -40.129 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -28.595 56.128 -39.269 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -29.667 56.115 -40.339 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -26.193 44.959 -44.133 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -27.054 44.872 -44.541 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -26.215 45.815 -43.706 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -26.105 50.146 -48.126 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -26.998 49.805 -48.185 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -25.654 49.769 -48.882 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -21.467 50.737 -37.821 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -22.030 50.033 -37.501 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -20.641 50.617 -37.354 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -31.744 47.361 -47.321 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -31.113 47.332 -46.601 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -31.294 46.936 -48.051 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -20.301 51.646 -41.824 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -19.977 51.015 -42.467 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -20.741 51.111 -41.163 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -23.523 47.573 -47.040 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -24.434 47.630 -46.751 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -23.018 47.513 -46.229 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -28.695 49.202 -48.213 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -29.584 49.302 -48.553 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -28.399 48.360 -48.559 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -28.233 54.954 -37.891 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -27.500 55.208 -37.330 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -29.013 55.158 -37.376 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -22.203 50.361 -45.153 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -21.639 49.814 -45.700 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -22.351 49.839 -44.364 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -27.201 46.497 -48.735 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -27.518 45.595 -48.770 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -26.420 46.499 -49.287 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -23.577 48.749 -42.739 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -24.412 49.203 -42.629 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -23.053 49.025 -41.987 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -21.513 55.146 -39.817 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -21.859 54.765 -39.011 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -21.713 56.080 -39.746 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -23.883 52.235 -37.757 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -24.179 52.069 -38.652 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -22.952 52.015 -37.767 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -25.533 57.775 -47.880 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -25.006 58.548 -48.081 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -26.413 58.000 -48.182 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -24.106 55.438 -48.304 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -24.347 56.363 -48.262 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -24.846 54.979 -47.908 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -29.615 59.276 -41.977 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -29.398 58.344 -42.008 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -29.368 59.550 -41.093 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -22.011 49.578 -40.405 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -21.892 50.152 -39.648 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -21.356 48.890 -40.290 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -28.623 44.610 -45.115 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -28.852 44.669 -46.042 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -29.066 43.818 -44.808 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -30.404 61.163 -37.624 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -29.864 60.946 -36.865 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -30.885 60.357 -37.814 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -25.807 60.082 -36.004 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -25.039 59.623 -35.663 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -25.828 59.856 -36.934 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -23.842 54.943 -37.237 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -24.170 55.214 -38.095 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -23.690 54.002 -37.325 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -25.378 48.537 -38.793 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -25.228 47.808 -39.396 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -25.376 49.314 -39.352 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -24.966 46.907 -41.301 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -24.430 47.358 -41.953 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -25.818 46.799 -41.723 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -26.900 49.735 -36.882 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -27.667 49.203 -37.092 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -26.221 49.425 -37.481 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -22.896 48.685 -37.306 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -23.132 48.465 -36.404 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -23.679 48.478 -37.815 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -28.719 47.656 -37.177 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -28.508 46.949 -37.788 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -28.831 47.218 -36.333 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -30.052 46.991 -45.120 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -29.607 46.199 -44.818 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -29.586 47.707 -44.689 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -31.471 44.986 -41.652 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -32.136 44.740 -41.009 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -31.914 45.608 -42.229 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -26.325 59.136 -41.249 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -26.750 59.945 -41.532 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -25.420 59.221 -41.551 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -27.367 59.725 -45.636 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -27.586 58.809 -45.467 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -26.543 59.865 -45.170 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -29.037 45.007 -38.304 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -29.403 44.242 -37.861 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -28.124 45.036 -38.017 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -27.064 44.358 -36.768 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -26.165 44.084 -36.953 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -27.450 43.615 -36.304 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -27.691 56.969 -25.460 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -28.061 56.167 -25.829 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -26.750 56.800 -25.413 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -26.298 47.832 -27.582 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -26.255 48.692 -28.000 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -26.756 47.280 -28.215 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -24.522 51.779 -27.604 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -23.906 51.253 -27.095 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -25.108 51.139 -28.008 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -24.919 54.426 -23.220 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -25.659 55.024 -23.117 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -24.205 54.980 -23.536 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -27.894 48.642 -25.555 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -27.281 49.275 -25.182 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -27.382 48.170 -26.212 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -26.511 56.390 -22.433 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -26.517 57.269 -22.811 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -27.365 56.307 -22.008 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -23.462 44.056 -26.055 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -23.579 43.107 -26.109 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -24.317 44.388 -25.782 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -26.144 53.733 -28.720 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -26.474 53.363 -29.539 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -25.556 53.063 -28.374 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.777 57.161 -26.039 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.872 56.583 -26.796 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -24.048 56.790 -25.543 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -25.777 52.502 -25.087 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -25.212 52.623 -25.850 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -25.458 53.139 -24.448 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -24.897 56.901 -20.370 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -25.209 57.683 -19.914 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -25.547 56.748 -21.056 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -27.154 52.803 -31.131 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -27.446 53.571 -31.622 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -27.828 52.143 -31.294 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -31.310 57.946 -25.432 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -30.364 57.802 -25.451 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -31.423 58.730 -24.895 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -28.066 60.747 -29.287 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -27.914 60.399 -28.408 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -28.917 60.391 -29.542 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -28.812 56.489 -21.273 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -28.595 56.128 -20.413 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -29.667 56.115 -21.483 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -26.193 44.959 -25.277 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -27.054 44.872 -25.685 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -26.215 45.815 -24.850 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -21.530 44.681 -21.903 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -21.110 44.266 -21.150 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -22.463 44.503 -21.786 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -26.102 49.925 -24.182 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -26.744 49.884 -23.473 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -26.065 50.851 -24.420 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -26.105 50.146 -29.270 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -26.998 49.805 -29.329 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -25.654 49.769 -30.026 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -24.986 47.619 -35.517 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -25.417 47.174 -34.787 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -25.704 47.991 -36.029 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -23.523 47.573 -28.184 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -24.434 47.630 -27.895 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -23.018 47.513 -27.373 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -25.042 49.202 -31.701 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -24.110 49.331 -31.523 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -25.257 49.872 -32.350 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -26.368 50.397 -34.134 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -26.910 50.017 -34.825 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -25.534 50.591 -34.563 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -28.233 54.954 -19.035 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -27.500 55.208 -18.474 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -29.013 55.158 -18.520 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -27.201 46.497 -29.879 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -27.518 45.595 -29.914 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -26.420 46.499 -30.431 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -23.577 48.749 -23.883 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -24.412 49.203 -23.773 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -23.053 49.025 -23.131 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -23.033 54.962 -32.198 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -23.777 54.455 -32.521 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -23.167 55.011 -31.252 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -23.883 52.235 -18.901 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -24.179 52.069 -19.796 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -22.952 52.015 -18.911 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -25.533 57.775 -29.024 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -25.006 58.548 -29.225 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -26.413 58.000 -29.326 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -24.106 55.438 -29.448 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -24.347 56.363 -29.406 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -24.846 54.979 -29.052 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -25.422 60.460 -29.903 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -26.372 60.565 -29.851 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -25.071 61.280 -29.558 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -29.615 59.276 -23.121 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -29.398 58.344 -23.152 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -29.368 59.550 -22.237 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -23.753 57.727 -35.911 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -23.514 56.979 -36.459 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -24.022 57.339 -35.079 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -24.816 57.297 -33.455 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.669 56.777 -32.665 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -24.819 58.204 -33.149 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -22.011 49.578 -21.549 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -21.892 50.152 -20.792 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -21.356 48.890 -21.434 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -24.740 60.038 -32.724 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -24.579 60.838 -33.225 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -24.937 60.345 -31.839 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -26.006 46.736 -33.108 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -26.089 47.625 -32.762 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -25.116 46.471 -32.877 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -30.497 54.973 -17.814 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -30.353 54.071 -18.100 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -31.270 55.259 -18.302 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -26.156 55.317 -35.682 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -26.092 54.523 -35.151 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -25.503 55.198 -36.371 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -29.665 52.173 -18.394 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -29.257 51.316 -18.515 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -29.925 52.188 -17.473 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -25.007 53.289 -33.376 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -25.466 52.805 -32.690 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -24.752 52.621 -34.012 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -25.718 51.182 -21.020 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -26.336 51.857 -20.739 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -25.374 51.503 -21.853 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -23.936 51.532 -35.113 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -24.116 51.378 -36.041 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -22.985 51.640 -35.069 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -24.966 46.907 -22.445 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -24.430 47.358 -23.097 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -25.818 46.799 -22.867 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -23.384 52.346 -22.205 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -22.633 52.190 -22.778 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -23.723 53.198 -22.481 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -24.160 44.363 -22.013 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -24.258 45.310 -22.119 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -24.903 43.991 -22.489 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -22.896 48.685 -18.450 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -23.132 48.465 -17.548 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -23.679 48.478 -18.959 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -23.938 43.657 -19.342 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -23.226 43.017 -19.356 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -24.039 43.924 -20.256 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -23.585 45.340 -17.288 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -23.716 44.864 -18.109 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -24.184 46.084 -17.344 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -31.821 62.252 -29.552 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -32.468 61.790 -30.085 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -31.466 61.580 -28.969 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -30.951 60.333 -27.747 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -31.285 59.452 -27.575 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -30.729 60.678 -26.883 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -29.279 58.161 -18.652 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -30.100 58.336 -19.112 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -29.531 58.088 -17.731 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -26.325 59.136 -22.393 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -26.750 59.945 -22.676 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -25.420 59.221 -22.695 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -27.367 59.725 -26.780 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -27.586 58.809 -26.611 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -26.543 59.865 -26.314 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -28.995 44.493 -28.965 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -29.772 44.259 -29.473 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -28.464 43.696 -28.957 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -30.158 44.291 -33.162 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -29.719 44.902 -33.753 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -30.792 44.829 -32.688 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -24.415 44.420 -29.152 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -23.541 44.808 -29.182 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -24.551 44.205 -28.229 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -28.297 46.207 -34.719 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -27.806 45.577 -35.247 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -27.674 46.503 -34.056 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -28.439 61.159 -35.239 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -28.707 61.446 -34.366 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -27.668 60.613 -35.087 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -31.081 50.629 -11.211 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -31.529 51.475 -11.229 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -31.642 50.049 -11.726 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -13.931 46.938 -5.465 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -13.882 47.548 -4.729 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -13.505 47.399 -6.188 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -26.298 47.832 -8.726 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -26.255 48.692 -9.144 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -26.756 47.280 -9.359 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -27.488 46.750 -4.652 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -27.707 47.280 -5.418 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -28.156 46.977 -4.004 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -27.894 48.642 -6.699 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -27.281 49.275 -6.326 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -27.382 48.170 -7.356 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -16.465 45.969 -4.665 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -17.201 46.580 -4.703 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -15.781 46.384 -5.191 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -15.220 44.015 -14.249 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -16.119 44.154 -13.954 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -14.968 44.846 -14.651 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -21.530 44.681 -3.047 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -21.110 44.266 -2.294 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -22.463 44.503 -2.930 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -21.868 47.174 -15.762 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -22.122 47.193 -14.839 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -22.125 46.302 -16.063 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -26.105 50.146 -10.414 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -26.998 49.805 -10.473 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -25.654 49.769 -11.170 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -24.986 47.619 -16.661 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -25.417 47.174 -15.931 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -25.704 47.991 -17.173 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -31.744 47.361 -9.609 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -31.113 47.332 -8.889 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -31.294 46.936 -10.339 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -30.469 48.107 -14.185 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -29.995 48.698 -14.770 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -31.187 48.638 -13.838 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -23.523 47.573 -9.328 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -24.434 47.630 -9.039 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -23.018 47.513 -8.517 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -28.695 49.202 -10.501 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -29.584 49.302 -10.841 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -28.399 48.360 -10.847 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -25.042 49.202 -12.845 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -24.110 49.331 -12.667 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -25.257 49.872 -13.494 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -26.368 50.397 -15.278 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -26.910 50.017 -15.969 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -25.534 50.591 -15.707 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -29.778 52.637 -15.581 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -29.162 53.264 -15.202 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -30.640 52.953 -15.310 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -29.266 47.471 -2.700 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -30.159 47.810 -2.767 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -29.365 46.616 -2.282 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -19.747 46.864 -12.713 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -19.527 47.336 -13.516 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -19.189 47.259 -12.042 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -22.547 48.592 -11.878 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -21.735 49.096 -11.832 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -22.792 48.447 -10.964 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -21.663 45.673 -10.940 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -22.010 46.291 -10.295 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -21.005 46.174 -11.421 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -26.006 46.736 -14.252 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -26.089 47.625 -13.906 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -25.116 46.471 -14.021 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -15.807 47.485 -1.858 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -16.723 47.748 -1.946 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -15.471 47.482 -2.755 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -29.431 49.828 -16.076 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -29.476 50.767 -15.897 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -30.319 49.592 -16.346 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -23.936 51.532 -16.257 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -24.116 51.378 -17.185 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -22.985 51.640 -16.213 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -24.966 46.907 -3.589 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -24.430 47.358 -4.241 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -25.818 46.799 -4.011 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -24.160 44.363 -3.157 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -24.258 45.310 -3.263 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -24.903 43.991 -3.633 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -18.546 46.446 1.487 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -18.643 45.494 1.481 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -18.868 46.715 2.348 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -23.938 43.657 -0.486 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -23.226 43.017 -0.500 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -24.039 43.924 -1.400 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -13.272 44.211 1.578 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -12.922 43.557 0.972 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -13.125 45.048 1.138 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -30.052 46.991 -7.408 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -29.607 46.199 -7.106 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -29.586 47.707 -6.977 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -13.752 46.320 -0.073 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -14.669 46.591 -0.109 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -13.629 45.785 -0.857 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -31.435 46.248 -12.284 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -32.360 46.457 -12.414 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -30.981 46.732 -12.974 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -31.471 44.986 -3.940 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -32.136 44.740 -3.297 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -31.914 45.608 -4.517 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -14.751 44.410 -2.254 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -15.564 44.735 -2.642 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -14.518 43.650 -2.787 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -21.321 45.859 -7.931 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -21.996 45.230 -7.676 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -20.757 45.375 -8.534 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -16.179 43.966 -7.819 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -15.575 44.514 -8.320 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -17.048 44.286 -8.059 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -14.452 45.105 -9.485 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -13.840 44.591 -10.012 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -14.069 45.983 -9.462 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -18.858 44.450 -8.647 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -18.782 44.545 -9.596 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -19.134 43.542 -8.518 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -23.271 46.500 -13.406 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -23.093 45.854 -12.723 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -23.325 47.334 -12.939 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -29.037 45.007 -0.592 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -29.403 44.242 -0.149 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -28.124 45.036 -0.305 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -27.064 44.358 0.944 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -26.165 44.084 0.759 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -27.450 43.615 1.408 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -18.642 43.690 1.126 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -18.566 43.264 1.980 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -17.749 43.704 0.784 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -15.220 44.015 4.607 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -16.119 44.154 4.902 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -14.968 44.846 4.205 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -13.716 46.243 3.445 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -13.303 45.522 2.969 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -13.034 46.913 3.503 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -17.505 44.476 5.902 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -18.208 45.090 5.692 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -17.950 43.638 6.033 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -27.064 63.214 -36.768 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -26.165 62.940 -36.953 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -27.450 62.471 -36.304 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -28.995 63.349 -28.965 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -29.772 63.115 -29.473 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -28.464 62.552 -28.957 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -30.158 63.147 -33.162 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -29.719 63.758 -33.753 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -30.792 63.685 -32.688 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -7.655 -19.034 15.279 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -7.661 -18.155 14.901 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -8.509 -19.117 15.704 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -6.041 -18.523 17.342 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -6.353 -17.741 17.798 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -6.691 -18.676 16.656 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -7.802 -16.451 18.106 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -7.794 -16.587 17.158 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -8.718 -16.569 18.358 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -3.278 -17.238 16.838 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -3.191 -16.412 17.313 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -4.142 -17.568 17.087 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -9.956 -18.935 16.439 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -9.739 -19.296 17.299 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -10.811 -19.309 16.229 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -9.377 -20.470 18.677 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -8.644 -20.216 19.238 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -10.157 -20.266 19.192 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -2.657 -20.278 16.751 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -3.003 -20.659 17.557 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -2.857 -19.344 16.822 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -4.735 -15.837 14.579 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -4.372 -14.982 14.346 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -4.203 -16.129 15.320 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -11.548 -14.261 18.944 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -11.008 -14.478 19.703 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -12.029 -15.067 18.754 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -0.374 -16.962 19.293 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -0.725 -17.818 19.536 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 0.352 -16.819 19.900 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -11.641 -20.451 19.898 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -11.497 -21.353 19.612 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -12.414 -20.165 19.410 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -4.986 -20.481 19.331 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -5.314 -20.210 18.473 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -4.834 -21.422 19.243 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -1.842 -21.771 19.970 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -0.889 -21.687 19.942 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -2.002 -22.482 20.589 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -10.423 -17.263 19.060 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -11.244 -17.088 18.600 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -10.675 -17.336 19.981 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -7.469 -16.288 15.319 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -7.894 -15.479 15.036 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -6.564 -16.203 15.017 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -3.158 -14.889 18.278 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -2.973 -15.223 19.156 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -2.311 -14.580 17.956 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -0.813 -13.604 17.522 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -0.136 -14.236 17.282 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -0.491 -13.202 18.330 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -10.067 -13.032 15.366 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -10.787 -12.592 14.915 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -10.433 -13.283 16.215 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -7.600 -13.432 14.396 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -8.465 -13.360 14.800 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -7.655 -12.885 13.612 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -9.759 -22.905 32.573 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -9.717 -23.531 33.297 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -9.056 -22.282 32.755 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -8.835 -18.455 31.108 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -9.205 -19.257 30.739 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -7.894 -18.624 31.155 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -12.225 -24.795 26.501 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -12.673 -23.949 26.483 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -12.786 -25.375 25.986 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -1.310 -14.476 29.494 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -0.690 -15.153 29.221 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -1.518 -14.694 30.402 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -10.822 -25.195 29.748 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -10.168 -25.745 30.180 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -10.798 -25.469 28.832 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -1.263 -19.174 26.604 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -1.559 -19.496 25.753 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -1.587 -18.274 26.646 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -6.063 -20.998 33.348 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -6.803 -20.400 33.451 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -5.349 -20.444 33.032 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -7.655 -19.034 34.135 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -7.661 -18.155 33.757 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -8.509 -19.117 34.560 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 0.343 -15.960 28.255 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 0.768 -16.667 27.770 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 0.660 -15.159 27.838 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -7.288 -21.691 27.848 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -7.618 -22.061 27.029 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -6.700 -22.361 28.194 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -5.921 -18.263 30.529 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -6.016 -18.841 29.772 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -5.192 -18.634 31.025 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -6.921 -22.922 31.481 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -6.356 -22.801 30.718 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -6.602 -22.285 32.120 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -9.121 -22.325 35.427 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -9.051 -21.674 36.125 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -10.012 -22.222 35.092 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -2.336 -16.422 27.085 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -1.862 -16.127 27.863 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -2.899 -15.684 26.852 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -8.298 -22.621 25.437 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -8.590 -21.853 24.946 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -8.972 -23.281 25.274 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -12.205 -20.258 34.252 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -12.706 -20.286 33.437 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -12.199 -21.164 34.562 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 0.238 -14.312 22.503 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 0.613 -15.056 22.032 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 0.242 -14.582 23.421 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -0.093 -14.386 25.252 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -1.028 -14.286 25.431 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 0.187 -15.095 25.830 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -9.956 -18.935 35.295 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -9.739 -19.296 36.155 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -10.811 -19.309 35.085 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -12.888 -28.063 28.103 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -12.257 -28.092 28.823 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -12.438 -28.488 27.373 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -9.839 -26.222 27.211 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -10.728 -26.122 26.871 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -9.543 -27.064 26.865 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -4.177 -20.462 24.370 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -4.921 -20.969 24.047 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -4.311 -20.413 25.316 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -9.052 -21.167 30.139 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -8.307 -21.169 29.538 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -8.974 -21.991 30.621 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -2.051 -19.003 23.395 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -2.346 -18.177 23.777 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -2.754 -19.623 23.591 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -12.044 -22.706 35.454 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -11.821 -23.124 36.286 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -12.646 -23.319 35.032 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -6.677 -17.649 27.544 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -6.150 -16.876 27.343 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -7.557 -17.424 27.242 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -10.922 -22.787 22.131 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -10.306 -22.160 22.510 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -11.784 -22.471 22.402 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -5.250 -19.986 27.120 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -5.491 -19.061 27.162 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -5.990 -20.445 27.516 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 1.012 -18.809 22.210 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 1.365 -19.189 23.014 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 0.063 -18.902 22.296 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -10.759 -16.148 33.447 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -10.542 -17.080 33.416 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -10.512 -15.874 34.331 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -9.507 -20.874 23.623 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -10.193 -20.522 24.190 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -8.984 -20.111 23.377 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 1.745 -16.017 21.029 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 2.028 -16.811 21.482 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 2.485 -15.784 20.468 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -7.300 -20.107 20.886 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -7.236 -20.901 21.417 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -6.647 -20.226 20.197 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -1.948 -19.060 20.622 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -2.216 -18.880 21.523 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -2.154 -19.986 20.491 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -6.151 -22.135 23.192 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -6.610 -22.619 23.878 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -5.896 -22.803 22.556 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -12.892 -25.434 31.373 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -12.400 -25.655 30.583 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -12.530 -24.593 31.654 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -7.469 -16.288 34.175 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -7.894 -15.479 33.892 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -6.564 -16.203 33.873 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -10.067 -13.032 34.222 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -10.787 -12.592 33.771 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -10.433 -13.283 35.071 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -7.600 -13.432 33.252 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -8.465 -13.360 33.656 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -7.655 -12.885 32.468 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -10.652 -14.409 31.133 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -10.671 -14.834 31.990 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -9.847 -14.727 30.724 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -5.974 -15.229 30.636 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -5.761 -16.117 30.349 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -5.909 -15.263 31.591 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -6.063 -2.142 14.492 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -6.803 -1.544 14.595 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -5.349 -1.588 14.176 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -7.655 -0.178 15.279 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -7.661 0.701 14.901 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -8.509 -0.261 15.704 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 3.188 -0.637 16.385 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 3.328 -1.228 15.646 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 3.356 0.236 16.029 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 0.964 -5.291 16.177 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 1.044 -4.528 16.749 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 0.363 -5.012 15.486 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -0.612 1.437 13.359 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -0.853 2.099 14.007 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -0.810 0.603 13.784 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -6.041 0.333 17.342 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -6.353 1.115 17.798 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -6.691 0.180 16.656 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -9.121 -3.469 16.571 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -9.051 -2.818 17.269 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -10.012 -3.366 16.236 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -7.802 2.405 18.106 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -7.794 2.269 17.158 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -8.718 2.287 18.358 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -3.278 1.618 16.838 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -3.191 2.444 17.313 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -4.142 1.288 17.087 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 2.895 -6.463 18.442 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 2.488 -5.982 17.722 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 2.936 -7.368 18.135 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -9.956 -0.079 16.439 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -9.739 -0.440 17.299 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -10.811 -0.453 16.229 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -2.674 -11.887 15.809 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -2.254 -12.302 16.562 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -3.607 -12.065 15.926 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 0.652 -8.131 16.663 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 0.138 -8.257 17.460 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 0.497 -7.219 16.418 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -2.611 -5.831 18.747 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -3.174 -6.535 19.067 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -1.785 -5.951 19.214 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -1.445 -4.922 14.744 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -1.121 -5.553 14.101 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -1.885 -5.457 15.405 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 3.025 5.912 19.069 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 3.225 6.336 18.234 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 3.681 6.255 19.676 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -9.377 -1.614 18.677 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -8.644 -1.360 19.238 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -10.157 -1.410 19.192 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -2.657 -1.422 16.751 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -3.003 -1.803 17.557 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -2.857 -0.488 16.822 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -5.027 -4.333 18.811 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -5.323 -4.499 17.916 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -4.096 -4.553 18.801 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -0.407 1.040 16.701 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -1.308 1.223 16.433 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -0.373 1.299 17.622 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -4.735 3.019 14.579 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -4.372 3.874 14.346 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -4.203 2.727 15.320 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -1.191 -0.882 14.280 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -1.617 -1.109 15.106 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -0.610 -1.620 14.097 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 1.468 3.670 16.749 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 0.866 3.115 16.254 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 1.749 4.337 16.123 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -10.759 2.708 14.591 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -10.542 1.776 14.560 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -10.512 2.982 15.475 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -3.155 -6.990 16.163 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -3.036 -6.416 16.920 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -2.500 -7.678 16.278 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -11.548 4.595 18.944 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -11.008 4.378 19.703 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -12.029 3.789 18.754 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -11.641 -1.595 19.898 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -11.497 -2.497 19.612 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -12.414 -1.309 19.410 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 0.749 -1.709 16.714 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 1.494 -1.121 16.594 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -0.008 -1.127 16.777 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -10.809 -4.395 19.318 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -10.401 -5.252 19.197 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -11.069 -4.380 20.239 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -6.862 -5.386 16.692 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -7.480 -4.711 16.973 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -6.518 -5.065 15.859 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -6.522 -8.031 17.775 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -6.372 -8.760 17.172 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -6.520 -7.254 17.216 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.528 -4.222 15.507 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.777 -4.378 14.934 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -4.867 -3.370 15.231 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -0.112 -6.407 20.535 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 0.080 -7.338 20.424 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 0.745 -5.982 20.525 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 1.204 -3.618 18.613 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 0.923 -2.909 18.035 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 2.147 -3.691 18.462 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -8.044 -6.833 19.686 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -8.811 -7.365 19.476 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -7.365 -7.143 19.087 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.304 -12.205 15.699 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.402 -11.258 15.593 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -6.047 -12.577 15.223 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -4.040 -7.883 19.262 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -4.276 -8.103 20.164 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -4.823 -8.090 18.753 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -1.324 -8.756 18.338 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -2.272 -8.724 18.470 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -1.012 -9.381 18.992 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 0.310 -10.122 20.343 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 0.213 -11.074 20.337 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -0.012 -9.853 21.204 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -9.863 -8.912 19.391 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -9.652 -9.619 18.780 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -9.975 -9.350 20.235 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -5.082 -12.911 18.370 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -4.370 -13.551 18.356 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.183 -12.644 17.456 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 3.468 -0.069 20.505 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 2.602 -0.174 20.899 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 3.844 0.690 20.952 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 3.806 -3.268 18.045 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 4.389 -4.002 18.236 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 4.370 -2.496 18.091 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -10.423 1.593 19.060 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -11.244 1.768 18.600 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -10.675 1.520 19.981 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -7.469 2.568 15.319 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -7.894 3.377 15.036 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -6.564 2.653 15.017 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -0.813 5.252 17.522 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -0.136 4.620 17.282 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -0.491 5.654 18.330 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -10.067 5.824 15.366 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -10.787 6.264 14.915 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -10.433 5.573 16.215 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -7.600 5.424 14.396 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -8.465 5.496 14.800 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -7.655 5.971 13.612 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -0.562 4.190 14.517 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -1.466 4.355 14.251 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -0.133 5.043 14.451 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -10.652 4.447 12.277 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -10.671 4.022 13.134 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -9.847 4.129 11.868 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -10.181 -11.561 18.264 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -10.547 -12.326 18.707 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -9.268 -11.532 18.551 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 0.214 -12.878 19.982 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 0.290 -13.304 20.836 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 1.107 -12.864 19.640 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 3.390 3.195 18.675 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 2.608 3.009 18.155 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 3.318 4.124 18.892 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -1.060 -2.919 27.561 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -0.971 -1.975 27.429 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -1.699 -3.194 26.903 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -2.127 -3.664 30.980 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -2.165 -4.310 31.685 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -2.450 -4.130 30.209 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 1.579 -0.725 29.282 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 1.138 -1.445 29.732 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 1.566 -0.004 29.912 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -0.597 -6.837 31.714 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -0.454 -7.784 31.734 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -0.703 -6.630 30.785 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 0.280 -8.605 27.387 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 0.926 -8.934 28.012 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 0.790 -8.087 26.764 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -8.632 -9.818 33.060 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -8.851 -9.288 32.294 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -9.300 -9.591 33.708 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 2.044 -9.314 29.368 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 1.829 -10.080 29.900 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 2.700 -8.842 29.881 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -11.534 -0.507 24.917 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -11.806 -0.278 24.028 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -11.489 0.331 25.377 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 2.091 1.115 31.630 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 1.149 1.173 31.791 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 2.367 2.021 31.493 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -4.606 -12.512 30.513 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.723 -13.461 30.459 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.461 -12.180 30.786 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 0.343 2.896 28.255 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 0.768 2.189 27.770 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 0.660 3.697 27.838 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 1.502 0.797 26.764 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 1.245 0.107 26.152 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 1.573 0.354 27.609 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 1.067 -3.465 25.965 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 0.335 -3.237 26.538 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 1.514 -4.179 26.420 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -0.612 1.437 32.215 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -0.853 2.099 32.863 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -0.810 0.603 32.640 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -6.041 0.333 36.198 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -6.353 1.115 36.654 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -6.691 0.180 35.512 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -0.062 -4.303 23.650 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 0.517 -4.153 24.397 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 0.352 -3.832 22.927 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -9.121 -3.469 35.427 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -9.051 -2.818 36.125 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -10.012 -3.366 35.092 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -7.802 2.405 36.962 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -7.794 2.269 36.014 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -8.718 2.287 37.214 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 4.826 1.813 21.840 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 4.899 2.752 22.010 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 5.731 1.508 21.783 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -12.205 -1.402 34.252 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -12.706 -1.430 33.437 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -12.199 -2.308 34.562 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -12.454 1.378 31.136 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -11.508 1.234 31.117 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -12.567 2.162 31.673 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -3.278 1.618 35.694 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -3.191 2.444 36.169 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -4.142 1.288 35.943 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -9.956 -0.079 35.295 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -9.739 -0.440 36.155 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -10.811 -0.453 35.085 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -7.337 -11.609 31.291 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -8.198 -11.696 30.883 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -7.359 -10.753 31.718 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 1.415 -3.270 21.280 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 1.457 -3.493 20.350 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 2.264 -2.872 21.470 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -0.709 -6.560 28.929 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -0.904 -5.955 28.214 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -0.527 -7.394 28.494 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -9.496 -6.323 34.253 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -9.534 -5.923 35.121 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -9.987 -7.140 34.343 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -1.445 -4.922 33.600 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -1.121 -5.553 32.957 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -1.885 -5.457 34.261 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -0.262 -9.760 31.648 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -0.939 -9.629 32.312 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -0.748 -9.915 30.838 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -9.377 -1.614 37.533 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -8.644 -1.360 38.094 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -10.157 -1.410 38.048 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.347 -6.207 30.271 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -2.783 -6.754 29.724 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.495 -6.729 31.060 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -4.721 -7.819 32.685 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -5.556 -7.365 32.795 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -4.197 -7.543 33.437 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -2.657 -1.422 35.607 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -3.003 -1.803 36.413 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -2.857 -0.488 35.678 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -12.044 -3.850 35.454 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -11.821 -4.268 36.286 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -12.646 -4.463 35.032 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -0.407 1.040 35.557 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -1.308 1.223 35.289 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -0.373 1.299 36.478 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 3.620 2.071 24.389 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 3.247 1.245 24.699 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 3.897 1.888 23.492 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 0.780 -3.121 31.411 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -0.148 -3.353 31.384 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 1.231 -3.898 31.081 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -10.922 -3.931 22.131 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -10.306 -3.304 22.510 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -11.784 -3.615 22.402 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -1.191 -0.882 33.136 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -1.617 -1.109 33.962 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -0.610 -1.620 32.953 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -10.410 -9.097 35.012 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -11.303 -8.758 34.945 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -10.509 -9.952 35.430 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 1.878 -1.280 24.436 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 1.601 -2.008 24.992 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 2.805 -1.161 24.642 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -10.759 2.708 33.447 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -10.542 1.776 33.416 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -10.512 2.982 34.331 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -3.155 -6.990 35.019 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -3.036 -6.416 35.776 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -2.500 -7.678 35.134 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 1.651 -5.332 29.950 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 0.854 -5.747 29.621 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 2.096 -6.023 30.441 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -10.575 -6.740 21.636 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -10.620 -5.801 21.815 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -11.463 -6.976 21.366 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 2.738 3.924 31.572 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 2.582 4.602 30.915 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 3.670 3.996 31.775 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 1.745 2.839 21.029 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 2.028 2.045 21.482 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 2.485 3.072 20.468 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -4.986 -1.625 38.187 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -5.314 -1.354 37.329 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -4.834 -2.566 38.099 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -6.862 -5.386 35.548 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -7.480 -4.711 35.829 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -6.518 -5.065 34.715 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 4.310 -2.681 20.900 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 4.037 -3.106 20.087 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 4.350 -1.750 20.683 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -6.522 -8.031 36.631 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -6.372 -8.760 36.028 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -6.520 -7.254 36.072 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -6.110 -9.661 34.123 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -5.574 -9.210 33.471 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -6.962 -9.769 33.701 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.528 -4.222 34.363 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -3.777 -4.378 33.790 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.867 -3.370 34.087 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -5.304 -12.205 34.555 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -5.402 -11.258 34.449 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -6.047 -12.577 34.079 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -11.614 0.291 21.939 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -10.700 0.370 22.212 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -11.607 -0.396 21.272 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -12.965 5.684 27.016 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -13.612 5.222 26.483 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -12.610 5.012 27.599 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -12.095 3.765 28.821 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -12.429 2.884 28.993 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -11.873 4.110 29.685 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 3.780 -6.618 21.641 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 3.877 -5.951 20.961 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 3.640 -7.434 21.159 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 2.950 -5.238 27.262 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 2.800 -6.183 27.242 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 2.596 -4.957 28.106 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -12.015 -3.160 31.272 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -11.831 -3.242 30.337 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -11.166 -3.284 31.696 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 3.028 -9.210 20.758 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 3.638 -9.582 21.395 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 2.191 -9.632 20.954 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 2.660 -7.655 25.724 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 2.940 -8.562 25.849 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 3.419 -7.221 25.335 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 3.274 -10.392 25.773 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 3.456 -10.841 26.598 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 2.674 -10.977 25.309 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 2.192 4.664 27.373 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 2.845 4.317 26.765 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 2.703 5.153 28.019 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -12.615 -11.582 33.772 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -13.280 -11.828 34.415 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -13.058 -10.960 33.195 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -10.423 1.593 37.916 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -11.244 1.768 37.456 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -10.675 1.520 38.837 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -3.158 3.967 37.134 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -2.973 3.633 38.012 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -2.311 4.276 36.812 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -10.067 5.824 34.222 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -10.787 6.264 33.771 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -10.433 5.573 35.071 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.600 5.424 33.252 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -8.465 5.496 33.656 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -7.655 5.971 32.468 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -2.889 5.312 32.428 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -3.346 5.841 31.774 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -2.726 5.915 33.153 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -0.562 4.190 33.373 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -1.466 4.355 33.107 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -0.133 5.043 33.307 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -10.652 4.447 31.133 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -10.671 4.022 31.990 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -9.847 4.129 30.724 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -2.465 -10.709 29.781 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -3.140 -11.338 30.036 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -1.901 -11.193 29.178 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -0.002 -12.118 29.065 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 0.074 -12.023 28.116 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -0.278 -13.026 29.194 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 1.351 -12.092 24.758 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 0.648 -11.478 24.548 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 0.906 -12.930 24.889 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 4.172 4.444 25.381 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 3.978 3.696 24.816 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 4.133 5.202 24.797 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -11.548 23.451 -18.768 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -11.008 23.234 -18.009 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -12.029 22.645 -18.958 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -6.951 22.370 -17.148 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -6.183 21.911 -16.807 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -6.972 22.144 -18.078 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -4.986 17.231 -18.381 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -5.314 17.502 -19.239 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -4.834 16.290 -18.469 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -1.842 15.941 -17.742 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -0.889 16.025 -17.770 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -2.002 15.230 -17.123 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -2.127 15.192 -6.732 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -2.165 14.546 -6.027 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -2.450 14.726 -7.503 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 1.579 18.131 -8.430 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.138 17.411 -7.980 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 1.566 18.852 -7.800 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -11.515 15.079 -9.085 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -11.301 14.309 -8.558 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -10.777 15.168 -9.688 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -1.310 23.236 -8.218 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -0.690 22.559 -8.491 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.518 23.018 -7.310 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -0.597 12.019 -5.998 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -0.454 11.072 -5.978 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -0.703 12.226 -6.927 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -7.442 10.120 -8.726 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.399 10.980 -9.144 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -7.900 9.568 -9.359 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 0.280 10.251 -10.325 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 0.926 9.922 -9.700 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 0.790 10.769 -10.948 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -10.822 12.517 -7.964 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -10.168 11.967 -7.532 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -10.798 12.243 -8.880 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -5.666 14.067 -8.748 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -5.050 13.541 -8.239 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -6.252 13.427 -9.152 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -8.632 9.038 -4.652 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -8.851 9.568 -5.418 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -9.300 9.265 -4.004 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -9.038 10.930 -6.699 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -8.425 11.563 -6.326 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -8.526 10.458 -7.356 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -11.534 18.349 -12.795 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -11.806 18.578 -13.684 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -11.489 19.187 -12.335 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 2.091 19.971 -6.082 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 1.149 20.029 -5.921 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 2.367 20.877 -6.219 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 0.343 21.752 -9.457 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 0.768 21.045 -9.942 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 0.660 22.553 -9.874 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 1.502 19.653 -10.948 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 1.245 18.963 -11.560 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 1.573 19.210 -10.103 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 3.188 18.219 -2.471 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 3.328 17.628 -3.210 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 3.356 19.092 -2.827 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -2.285 13.639 -15.660 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -1.584 13.661 -15.009 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -1.983 13.011 -16.316 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 1.067 15.391 -11.747 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 0.335 15.619 -11.174 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 1.514 14.677 -11.292 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 0.964 13.565 -2.679 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 1.044 14.328 -2.107 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 0.363 13.844 -3.370 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -0.062 14.553 -14.062 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 0.517 14.703 -13.315 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 0.352 15.024 -14.785 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -8.298 15.091 -12.275 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -8.590 15.859 -12.766 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -8.972 14.431 -12.438 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 5.743 20.900 -0.894 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 5.694 19.945 -0.931 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 4.917 21.168 -0.492 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -2.864 24.246 -12.212 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -2.939 24.125 -13.158 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -2.831 25.196 -12.093 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 0.238 23.400 -15.209 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 0.613 22.656 -15.680 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 0.242 23.130 -14.291 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -0.093 23.326 -12.460 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -1.028 23.426 -12.281 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 0.187 22.617 -11.882 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 1.415 15.586 -16.432 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 1.457 15.363 -17.362 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 2.264 15.984 -16.242 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -7.246 12.213 -5.326 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -7.888 12.172 -4.617 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -7.209 13.139 -5.564 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -7.249 12.434 -10.414 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -8.142 12.093 -10.473 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -6.798 12.057 -11.170 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -1.713 12.850 -11.597 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -2.122 13.665 -11.889 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -0.993 12.710 -12.212 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -2.611 13.025 -0.109 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -3.174 12.321 0.211 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -1.785 12.905 0.358 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -0.709 12.296 -8.783 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -0.904 12.901 -9.498 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -0.527 11.462 -9.218 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -9.496 12.533 -3.459 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -9.534 12.933 -2.591 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -9.987 11.716 -3.369 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.445 13.934 -4.112 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -1.121 13.303 -4.755 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -1.885 13.399 -3.451 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -4.667 9.861 -9.328 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -5.578 9.918 -9.039 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -4.162 9.801 -8.517 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -6.186 11.490 -12.845 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -5.254 11.619 -12.667 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -6.401 12.160 -13.494 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -7.512 12.685 -15.278 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -8.054 12.305 -15.969 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -6.678 12.879 -15.707 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 3.025 24.768 0.213 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 3.225 25.192 -0.622 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 3.681 25.111 0.820 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -3.347 12.649 -7.441 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -2.783 12.102 -7.988 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -3.495 12.127 -6.652 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -4.721 11.037 -5.027 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -5.556 11.491 -4.917 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -4.197 11.313 -4.275 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 2.973 16.383 -4.556 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 3.615 16.840 -5.099 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 2.143 16.496 -5.018 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 0.439 11.931 -13.482 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 1.331 11.794 -13.163 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 0.496 12.722 -14.019 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -5.027 14.523 -0.045 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -5.323 14.357 -0.940 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -4.096 14.303 -0.055 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 0.780 15.735 -6.301 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -0.148 15.503 -6.328 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 1.231 14.958 -6.631 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -6.566 22.748 -11.047 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -7.516 22.853 -10.995 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -6.215 23.568 -10.702 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 1.012 18.903 -15.502 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 1.365 18.523 -14.698 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 0.063 18.810 -15.416 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 1.468 22.526 -2.107 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 0.866 21.971 -2.602 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 1.749 23.193 -2.733 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -10.410 9.759 -2.700 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -11.303 10.098 -2.767 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -10.509 8.904 -2.282 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 1.878 17.576 -13.276 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 1.601 16.848 -12.720 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 2.805 17.695 -13.070 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -4.897 20.015 -17.055 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -4.658 19.267 -17.603 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -5.166 19.627 -16.223 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -9.507 16.838 -14.089 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -10.193 17.190 -13.522 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -8.984 17.601 -14.335 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -3.691 10.880 -11.878 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -2.879 11.384 -11.832 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -3.936 10.735 -10.964 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -3.155 11.866 -2.693 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -3.036 12.440 -1.936 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.500 11.178 -2.578 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -5.884 22.326 -13.868 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -5.723 23.126 -14.369 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -6.081 22.633 -12.983 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 1.651 13.524 -7.762 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 0.854 13.109 -8.091 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 2.096 12.833 -7.271 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -8.891 19.452 -15.192 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -8.299 20.151 -14.916 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -8.432 19.019 -15.911 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 2.738 22.780 -6.140 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 2.582 23.458 -6.797 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 3.670 22.852 -5.937 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -2.859 21.878 -16.917 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -3.503 21.247 -16.595 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -2.097 21.347 -17.149 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -7.300 17.605 -16.826 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -7.236 16.811 -16.295 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -6.647 17.486 -17.515 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -1.948 18.652 -17.090 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -2.216 18.832 -16.189 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -2.154 17.726 -17.221 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -6.151 15.577 -14.520 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -6.610 15.093 -13.834 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -5.896 14.909 -15.156 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -5.080 13.820 -16.257 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -5.260 13.666 -17.185 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -4.129 13.928 -16.213 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -1.842 15.941 1.114 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -0.889 16.025 1.086 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -2.002 15.230 1.733 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -6.522 10.825 -1.081 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -6.372 10.096 -1.684 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -6.520 11.602 -1.640 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 1.204 15.238 -0.243 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 0.923 15.947 -0.821 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 2.147 15.165 -0.394 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -8.044 12.023 0.830 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -8.811 11.491 0.620 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -7.365 11.713 0.231 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -9.863 9.944 0.535 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -9.652 9.237 -0.076 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -9.975 9.506 1.379 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -5.182 24.511 -15.256 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -4.249 24.669 -15.112 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -5.446 25.186 -15.881 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -11.614 19.147 -15.773 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -10.700 19.226 -15.500 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -11.607 18.460 -16.440 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 5.017 22.997 -2.989 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 4.530 22.262 -3.360 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 5.566 22.604 -2.311 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 3.468 18.787 1.649 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 2.602 18.682 2.043 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 3.844 19.546 2.096 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 3.409 20.760 -3.758 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 2.761 21.085 -3.133 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 2.891 20.320 -4.433 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 2.950 13.618 -10.450 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 2.800 12.673 -10.470 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 2.596 13.899 -9.606 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -12.015 15.696 -6.440 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -11.831 15.614 -7.375 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -11.166 15.572 -6.016 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 3.806 15.588 -0.811 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 4.389 14.854 -0.620 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 4.370 16.360 -0.765 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -12.417 10.967 -0.299 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -11.498 10.845 -0.063 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -12.867 10.217 0.090 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -12.892 12.278 -6.339 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -12.400 12.057 -7.129 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -12.530 13.119 -6.058 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 2.192 23.520 -10.339 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 2.845 23.173 -10.947 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 2.703 24.009 -9.693 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 2.043 24.616 -4.044 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 1.861 25.532 -4.255 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 2.219 24.206 -4.891 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -11.401 22.527 -13.408 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -12.086 22.489 -14.076 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -11.398 23.440 -13.120 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -2.537 23.737 -15.011 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -1.671 24.103 -15.189 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -2.784 23.297 -15.824 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -9.583 23.447 -16.383 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -9.851 23.734 -15.510 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -8.812 22.901 -16.231 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 3.390 22.051 -0.181 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 2.608 21.865 -0.701 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 3.318 22.980 0.036 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -1.060 15.937 8.705 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -0.971 16.881 8.573 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -1.699 15.662 8.047 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -2.127 15.192 12.124 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -2.165 14.546 12.829 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -2.450 14.726 11.353 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -8.835 19.257 12.252 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -9.205 18.455 11.883 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -7.894 19.088 12.299 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -12.225 12.917 7.645 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -12.673 13.763 7.627 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -12.786 12.337 7.130 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -11.515 15.079 9.771 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -11.301 14.309 10.298 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -10.777 15.168 9.168 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -1.310 23.236 10.638 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -0.690 22.559 10.365 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -1.518 23.018 11.546 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -3.738 17.625 12.530 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -3.434 16.939 11.936 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -3.016 17.743 13.148 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -7.442 10.120 10.130 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -7.399 10.980 9.712 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -7.900 9.568 9.497 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -10.822 12.517 10.892 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -10.168 11.967 11.324 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -10.798 12.243 9.976 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -5.666 14.067 10.108 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -5.050 13.541 10.617 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -6.252 13.427 9.704 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -8.632 9.038 14.204 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -8.851 9.568 13.438 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -9.300 9.265 14.852 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -1.263 18.538 7.748 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -1.559 18.216 6.897 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -1.587 19.438 7.790 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -6.063 16.714 14.492 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -6.803 17.312 14.595 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -5.349 17.268 14.176 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -9.038 10.930 12.157 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -8.425 11.563 12.530 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -8.526 10.458 11.500 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 0.343 21.752 9.399 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 0.768 21.045 8.914 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 0.660 22.553 8.982 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 1.502 19.653 7.908 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 1.245 18.963 7.296 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 1.573 19.210 8.753 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -2.339 15.181 6.157 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -3.051 15.716 5.806 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -1.648 15.237 5.497 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -2.285 13.639 3.196 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -1.584 13.661 3.847 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -1.983 13.011 2.540 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 1.067 15.391 7.109 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 0.335 15.619 7.682 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 1.514 14.677 7.564 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -5.921 19.449 11.673 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -6.016 18.871 10.916 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -5.192 19.078 12.169 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -6.921 14.790 12.625 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -6.356 14.911 11.862 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -6.602 15.427 13.264 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -6.041 19.189 17.342 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -6.353 19.971 17.798 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -6.691 19.036 16.656 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -0.062 14.553 4.794 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 0.517 14.703 5.541 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 0.352 15.024 4.071 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -2.336 21.290 8.229 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -1.862 21.585 9.007 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -2.899 22.028 7.996 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -7.802 21.261 18.106 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -7.794 21.125 17.158 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -8.718 21.143 18.358 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 4.826 20.669 2.984 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 4.899 21.608 3.154 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 5.731 20.364 2.927 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -12.454 20.234 12.280 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -11.508 20.090 12.261 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -12.567 21.018 12.817 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -7.337 7.247 12.435 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -8.198 7.160 12.027 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -7.359 8.103 12.862 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -2.674 6.969 15.809 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -2.254 6.554 16.562 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -3.607 6.791 15.926 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 1.415 15.586 2.424 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 1.457 15.363 1.494 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 2.264 15.984 2.614 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -3.012 9.462 3.094 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -3.266 9.481 4.017 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -3.269 8.590 2.793 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -7.246 12.213 13.530 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -7.888 12.172 14.239 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -7.209 13.139 13.292 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -7.249 12.434 8.442 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -8.142 12.093 8.383 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -6.798 12.057 7.686 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -1.713 12.850 7.259 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -2.122 13.665 6.967 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -0.993 12.710 6.644 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -2.611 13.025 18.747 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -3.174 12.321 19.067 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -1.785 12.905 19.214 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -0.709 12.296 10.073 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -0.904 12.901 9.358 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -0.527 11.462 9.638 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.130 9.907 2.195 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -6.561 9.462 2.925 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.848 10.279 1.683 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -11.613 10.395 4.671 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -11.139 10.986 4.086 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -12.331 10.926 5.018 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -1.445 13.934 14.744 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -1.121 13.303 14.101 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -1.885 13.399 15.405 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -4.667 9.861 9.528 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -5.578 9.918 9.817 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -4.162 9.801 10.339 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -9.839 11.490 8.355 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -10.728 11.590 8.015 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -9.543 10.648 8.009 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.186 11.490 6.011 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.254 11.619 6.189 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -6.401 12.160 5.362 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -7.512 12.685 3.578 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -8.054 12.305 2.887 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -6.678 12.879 3.149 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -3.347 12.649 11.415 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -2.783 12.102 10.868 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -3.495 12.127 12.204 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -8.345 8.785 7.833 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -8.662 7.883 7.798 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -7.564 8.787 7.281 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -4.721 11.037 13.829 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -5.556 11.491 13.939 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -4.197 11.313 14.581 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -2.657 17.434 16.751 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.003 17.053 17.557 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.857 18.368 16.822 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -9.052 16.545 11.283 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -8.307 16.543 10.682 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -8.974 15.721 11.765 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -2.051 18.709 4.539 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -2.346 19.535 4.921 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -2.754 18.089 4.735 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 3.620 20.927 5.533 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 3.247 20.101 5.843 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 3.897 20.744 4.636 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 1.012 18.903 3.354 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 1.365 18.523 4.158 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 0.063 18.810 3.440 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 5.516 23.383 3.555 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 6.259 23.969 3.415 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 4.821 23.951 3.888 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 1.878 17.576 5.580 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 1.601 16.848 6.136 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 2.805 17.695 5.786 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -10.759 21.564 14.591 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -10.542 20.632 14.560 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -10.512 21.838 15.475 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -1.675 9.500 15.046 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -0.977 9.574 15.696 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -2.056 8.636 15.201 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -3.222 21.283 5.006 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -4.039 21.780 5.059 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.693 21.758 4.366 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -3.691 10.880 6.978 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -2.879 11.384 7.024 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -3.936 10.735 7.892 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -3.155 11.866 16.163 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -3.036 12.440 16.920 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -2.500 11.178 16.278 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -7.150 9.024 4.604 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -7.233 9.913 4.950 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -6.260 8.759 4.835 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -10.575 12.116 2.780 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -10.620 13.055 2.959 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -11.463 11.880 2.510 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -9.767 6.898 11.453 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -9.996 6.957 10.526 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -10.210 6.106 11.760 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -11.548 23.451 18.944 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -11.008 23.234 19.703 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -12.029 22.645 18.754 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -6.951 22.370 20.564 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -6.183 21.911 20.905 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -6.972 22.144 19.634 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -4.986 17.231 19.331 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -5.314 17.502 18.473 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -4.834 16.290 19.243 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -1.948 18.652 1.766 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -2.216 18.832 2.667 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -2.154 17.726 1.635 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -5.080 13.820 2.599 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -5.260 13.666 1.671 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -4.129 13.928 2.643 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -1.842 15.941 19.970 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -0.889 16.025 19.942 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -2.002 15.230 20.589 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -4.528 14.634 15.507 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -3.777 14.478 14.934 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -4.867 15.486 15.231 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -0.112 12.449 20.535 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 0.080 11.518 20.424 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 0.745 12.874 20.525 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -5.304 6.651 15.699 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -5.402 7.598 15.593 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -6.047 6.279 15.223 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -1.324 10.100 18.338 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -2.272 10.132 18.470 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -1.012 9.475 18.992 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 0.310 8.734 20.343 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 0.213 7.782 20.337 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -0.012 9.003 21.204 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -12.095 22.621 9.965 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -12.429 21.740 10.137 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -11.873 22.966 10.829 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -12.015 15.696 12.416 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -11.831 15.614 11.481 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -11.166 15.572 12.840 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -11.196 9.279 11.448 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -10.751 8.487 11.750 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -10.730 9.995 11.879 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -12.892 12.278 12.517 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -12.400 12.057 11.727 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -12.530 13.119 12.798 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 2.192 23.520 8.517 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 2.845 23.173 7.909 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 2.703 24.009 9.163 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -12.615 7.274 14.916 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -13.280 7.028 15.559 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -13.058 7.896 14.339 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -10.423 20.449 19.060 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -11.244 20.624 18.600 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -10.675 20.376 19.981 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -7.469 21.424 15.319 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -7.894 22.233 15.036 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -6.564 21.509 15.017 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -10.652 23.303 12.277 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -10.671 22.878 13.134 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -9.847 22.985 11.868 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -8.511 22.013 10.932 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -8.730 21.097 11.101 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -7.687 22.153 11.398 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -5.974 22.483 11.780 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -5.761 21.595 11.493 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -5.909 22.449 12.735 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -4.415 8.788 5.450 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -4.237 8.142 6.133 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -4.469 9.622 5.917 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 4.172 23.300 6.525 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 3.978 22.552 5.960 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 4.133 24.058 5.941 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 0.214 5.978 19.982 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 0.290 5.552 20.836 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 1.107 5.992 19.640 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -1.060 15.937 27.561 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -0.971 16.881 27.429 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -1.699 15.662 26.903 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -9.759 14.807 32.573 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -9.717 14.181 33.297 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -9.056 15.430 32.755 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -11.515 15.079 28.627 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -11.301 14.309 29.154 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -10.777 15.168 28.024 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -7.442 10.120 28.986 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -7.399 10.980 28.568 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -7.900 9.568 28.353 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 0.280 10.251 27.387 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 0.926 9.922 28.012 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 0.790 10.769 26.764 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -10.822 12.517 29.748 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -10.168 11.967 30.180 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -10.798 12.243 28.832 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -5.666 14.067 28.964 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -5.050 13.541 29.473 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -6.252 13.427 28.560 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 2.044 9.542 29.368 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 1.829 8.776 29.900 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 2.700 10.014 29.881 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -9.038 10.930 31.013 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -8.425 11.563 31.386 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -8.526 10.458 30.356 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -11.534 18.349 24.917 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -11.806 18.578 24.028 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -11.489 19.187 25.377 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -4.606 6.344 30.513 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -4.723 5.395 30.459 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -5.461 6.676 30.786 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -2.339 15.181 25.013 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -3.051 15.716 24.662 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -1.648 15.237 24.353 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -7.288 16.021 27.848 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -7.618 15.651 27.029 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -6.700 15.351 28.194 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -6.921 14.790 31.481 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -6.356 14.911 30.718 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -6.602 15.427 32.120 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -0.062 14.553 23.650 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 0.517 14.703 24.397 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 0.352 15.024 22.927 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 3.636 6.303 23.463 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 2.737 6.442 23.758 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 3.888 7.134 23.061 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -7.337 7.247 31.291 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -8.198 7.160 30.883 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -7.359 8.103 31.718 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -7.246 12.213 32.386 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -7.888 12.172 33.095 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -7.209 13.139 32.148 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -1.713 12.850 26.115 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -2.122 13.665 25.823 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -0.993 12.710 25.500 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -0.709 12.296 28.929 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -0.904 12.901 28.214 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -0.527 11.462 28.494 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -4.667 9.861 28.384 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -5.578 9.918 28.673 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -4.162 9.801 29.195 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -0.262 9.096 31.648 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -0.939 9.227 32.312 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -0.748 8.941 30.838 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -3.347 12.649 30.271 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -2.783 12.102 29.724 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -3.495 12.127 31.060 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -4.177 17.250 24.370 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -4.921 16.743 24.047 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -4.311 17.299 25.316 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -0.279 10.064 22.569 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -1.217 10.176 22.418 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 0.018 10.921 22.875 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 0.439 11.931 24.230 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 1.331 11.794 24.549 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 0.496 12.722 23.693 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -9.052 16.545 30.139 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -8.307 16.543 29.538 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -8.974 15.721 30.621 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -2.051 18.709 23.395 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -2.346 19.535 23.777 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -2.754 18.089 23.591 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -5.250 17.726 27.120 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -5.491 18.651 27.162 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -5.990 17.267 27.516 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -4.897 20.015 20.657 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -4.658 19.267 20.109 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -5.166 19.627 21.489 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -5.960 19.585 23.113 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -5.813 19.065 23.903 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.963 20.492 23.419 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -9.507 16.838 23.623 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -10.193 17.190 24.190 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -8.984 17.601 23.377 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -8.891 19.452 22.520 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -8.299 20.151 22.796 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -8.432 19.019 21.801 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -9.767 6.898 30.309 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -9.996 6.957 29.382 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -10.210 6.106 30.616 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -7.300 17.605 20.886 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -7.236 16.811 21.417 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -6.647 17.486 20.197 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -1.948 18.652 20.622 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -2.216 18.832 21.523 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -2.154 17.726 20.491 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -5.304 6.651 34.555 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -5.402 7.598 34.449 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -6.047 6.279 34.079 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -11.614 19.147 21.939 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -10.700 19.226 22.212 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -11.607 18.460 21.272 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -12.015 15.696 31.272 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -11.831 15.614 30.337 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -11.166 15.572 31.696 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 3.028 9.646 20.758 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 3.638 9.274 21.395 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 2.191 9.224 20.954 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 2.660 11.201 25.724 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 2.940 10.294 25.849 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 3.419 11.635 25.335 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 3.274 8.464 25.773 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 3.456 8.015 26.598 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 2.674 7.879 25.309 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -11.196 9.279 30.304 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -10.751 8.487 30.606 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -10.730 9.995 30.735 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -12.892 12.278 31.373 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -12.400 12.057 30.583 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -12.530 13.119 31.654 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 2.677 6.254 29.893 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 3.281 6.802 29.392 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 1.808 6.574 29.653 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 4.404 7.393 28.227 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 5.016 6.879 27.700 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 4.787 8.271 28.250 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -11.401 22.527 24.304 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -12.086 22.489 23.636 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -11.398 23.440 24.592 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -9.583 23.447 21.329 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -9.851 23.734 22.202 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -8.812 22.901 21.481 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -6.951 41.226 -17.148 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -6.183 40.767 -16.807 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -6.972 41.000 -18.078 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -11.641 36.117 -17.814 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -11.497 35.215 -18.100 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -12.414 36.403 -18.302 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -10.809 33.317 -18.394 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -10.401 32.460 -18.515 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -11.069 33.332 -17.473 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -6.522 29.681 -19.937 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -6.372 28.952 -20.540 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -6.520 30.458 -20.496 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -8.044 30.879 -18.026 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -8.811 30.347 -18.236 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -7.365 30.569 -18.625 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -9.863 28.800 -18.321 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -9.652 28.093 -18.932 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -9.975 28.362 -17.477 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -4.729 26.484 -17.288 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -4.860 26.008 -18.109 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -5.328 27.228 -17.344 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -12.417 29.823 -19.155 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -11.498 29.701 -18.919 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -12.867 29.073 -18.766 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -10.181 26.151 -19.448 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -10.547 25.386 -19.005 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -9.268 26.180 -19.161 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -8.208 25.502 -17.912 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -7.309 25.228 -18.097 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -8.594 24.759 -17.448 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -1.310 42.092 -8.218 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -0.690 41.415 -8.491 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -1.518 41.874 -7.310 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 4.925 28.082 -5.465 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 4.974 28.692 -4.729 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 5.351 28.543 -6.188 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 0.280 29.107 -10.325 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 0.926 28.778 -9.700 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 0.790 29.625 -10.948 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 5.317 29.560 -3.229 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 4.628 30.218 -3.324 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 5.332 29.363 -2.292 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -1.263 37.394 -11.108 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -1.559 37.072 -11.959 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -1.587 38.294 -11.066 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 2.044 28.398 -8.344 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 1.829 27.632 -7.812 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 2.700 28.870 -7.831 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 2.091 38.827 -6.082 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 1.149 38.885 -5.921 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 2.367 39.733 -6.219 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 0.343 40.608 -9.457 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 0.768 39.901 -9.942 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 0.660 41.409 -9.874 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 1.502 38.509 -10.948 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 1.245 37.819 -11.560 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 1.573 38.066 -10.103 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 3.188 37.075 -2.471 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 3.328 36.484 -3.210 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 3.356 37.948 -2.827 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -2.339 34.037 -12.699 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -3.051 34.572 -13.050 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.648 34.093 -13.359 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -2.285 32.495 -15.660 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -1.584 32.517 -15.009 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -1.983 31.867 -16.316 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 5.030 33.415 -4.405 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 4.378 34.110 -4.316 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 5.495 33.625 -5.215 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 1.067 34.247 -11.747 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 0.335 34.475 -11.174 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 1.514 33.533 -11.292 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -0.062 33.409 -14.062 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 0.517 33.559 -13.315 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 0.352 33.880 -14.785 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 5.743 39.756 -0.894 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 5.694 38.801 -0.931 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 4.917 40.024 -0.492 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -2.864 43.102 -12.212 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -2.939 42.981 -13.158 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -2.831 44.052 -12.093 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 0.238 42.256 -15.209 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 0.613 41.512 -15.680 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 0.242 41.986 -14.291 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -0.093 42.182 -12.460 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -1.028 42.282 -12.281 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 0.187 41.473 -11.882 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -3.012 28.318 -15.762 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -3.266 28.337 -14.839 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -3.269 27.446 -16.063 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -1.713 31.706 -11.597 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -2.122 32.521 -11.889 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -0.993 31.566 -12.212 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -6.130 28.763 -16.661 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -6.561 28.318 -15.931 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -6.848 29.135 -17.173 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -6.186 30.346 -12.845 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -5.254 30.475 -12.667 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -6.401 31.016 -13.494 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -7.512 31.541 -15.278 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -8.054 31.161 -15.969 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -6.678 31.735 -15.707 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 3.025 43.624 0.213 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 3.225 44.048 -0.622 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 3.681 43.967 0.820 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -4.177 36.106 -13.342 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -4.921 35.599 -13.665 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -4.311 36.155 -12.396 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 0.439 30.787 -13.482 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 1.331 30.650 -13.163 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 0.496 31.578 -14.019 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -2.051 37.565 -14.317 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -2.346 38.391 -13.935 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -2.754 36.945 -14.121 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -0.407 38.752 -2.155 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -1.308 38.935 -2.423 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -0.373 39.011 -1.234 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 5.288 36.797 -0.951 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 4.436 37.035 -1.318 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 5.878 36.780 -1.704 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -10.922 33.781 -15.581 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -10.306 34.408 -15.202 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -11.784 34.097 -15.310 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 1.468 41.382 -2.107 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 0.866 40.827 -2.602 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 1.749 42.049 -2.733 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 1.878 36.432 -13.276 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 1.601 35.704 -12.720 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 2.805 36.551 -13.070 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -4.897 38.871 -17.055 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -4.658 38.123 -17.603 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -5.166 38.483 -16.223 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -5.960 38.441 -14.599 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -5.813 37.921 -13.809 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -5.963 39.348 -14.293 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -0.891 28.008 -12.713 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -0.671 28.480 -13.516 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -0.333 28.403 -12.042 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -3.222 40.139 -13.850 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -4.039 40.636 -13.797 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -2.693 40.614 -14.490 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -3.691 29.736 -11.878 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -2.879 30.240 -11.832 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -3.936 29.591 -10.964 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -2.807 26.817 -10.940 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -3.154 27.435 -10.295 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -2.149 27.318 -11.421 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -8.891 38.308 -15.192 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -8.299 39.007 -14.916 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -8.432 37.875 -15.911 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 2.738 41.636 -6.140 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 2.582 42.314 -6.797 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 3.670 41.708 -5.937 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -2.859 40.734 -16.917 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -3.503 40.103 -16.595 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -2.097 40.203 -17.149 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -7.300 36.461 -16.826 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -7.236 35.667 -16.295 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -6.647 36.342 -17.515 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -6.151 34.433 -14.520 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -6.610 33.949 -13.834 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -5.896 33.765 -15.156 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -5.080 32.676 -16.257 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -5.260 32.522 -17.185 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -4.129 32.784 -16.213 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -5.182 43.367 -15.256 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -4.249 43.525 -15.112 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -5.446 44.042 -15.881 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -11.614 38.003 -15.773 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -10.700 38.082 -15.500 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -11.607 37.316 -16.440 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -12.965 43.396 -10.696 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -13.612 42.934 -11.229 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -12.610 42.724 -10.113 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 4.769 35.900 -12.837 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 5.619 36.321 -12.709 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 4.774 35.160 -12.229 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 5.163 33.953 -11.013 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 4.437 33.474 -10.615 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 5.744 34.159 -10.281 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 4.922 36.738 -6.065 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 5.756 36.360 -6.346 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 5.034 37.681 -6.184 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 3.409 39.616 -3.758 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 2.761 39.941 -3.133 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 2.891 39.176 -4.433 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 2.950 32.474 -10.450 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 2.800 31.529 -10.470 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 2.596 32.755 -9.606 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 3.806 34.444 -0.811 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 4.389 33.710 -0.620 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 4.370 35.216 -0.765 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 5.303 32.347 -0.127 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 4.440 31.968 -0.292 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 5.907 31.608 -0.201 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 2.660 30.057 -11.988 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 2.940 29.150 -11.863 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 3.419 30.491 -12.377 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 3.272 30.638 -6.552 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 4.205 30.850 -6.586 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 3.037 30.740 -5.629 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 3.301 31.375 -3.776 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 2.458 31.643 -3.410 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 3.744 32.197 -3.987 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 5.584 25.355 1.578 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 5.934 24.701 0.972 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 5.731 26.192 1.138 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 3.274 27.320 -11.939 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 3.456 26.871 -11.114 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 2.674 26.735 -12.403 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 5.104 27.464 -0.073 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 4.187 27.735 -0.109 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 5.227 26.929 -0.857 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 2.192 42.376 -10.339 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 2.845 42.029 -10.947 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 2.703 42.865 -9.693 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -0.813 42.964 -1.334 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -0.136 42.332 -1.574 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -0.491 43.366 -0.526 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 4.105 25.554 -2.254 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 3.292 25.879 -2.642 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 4.338 24.794 -2.787 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -2.889 43.024 -5.284 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -3.346 43.553 -5.938 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -2.726 43.627 -4.559 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -0.562 41.902 -4.339 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -1.466 42.067 -4.605 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -0.133 42.755 -4.405 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 2.677 25.110 -7.819 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 3.281 25.658 -8.320 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 1.808 25.430 -8.059 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 4.404 26.249 -9.485 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 5.016 25.735 -10.012 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 4.787 27.127 -9.462 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -0.002 25.594 -8.647 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 0.074 25.689 -9.596 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -0.278 24.686 -8.518 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -4.415 27.644 -13.406 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -4.237 26.998 -12.723 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -4.469 28.478 -12.939 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -2.537 42.593 -15.011 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -1.671 42.959 -15.189 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -2.784 42.153 -15.824 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -9.583 42.303 -16.383 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -9.851 42.590 -15.510 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -8.812 41.757 -16.231 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 3.390 40.907 -0.181 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 2.608 40.721 -0.701 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 3.318 41.836 0.036 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 -1.060 34.793 8.705 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -0.971 35.737 8.573 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 -1.699 34.518 8.047 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -2.127 34.048 12.124 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -2.165 33.402 12.829 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -2.450 33.582 11.353 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -8.835 38.113 12.252 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -9.205 37.311 11.883 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -7.894 37.944 12.299 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -11.515 33.935 9.771 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -11.301 33.165 10.298 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -10.777 34.024 9.168 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 0.280 29.107 8.531 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 0.926 28.778 9.156 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 0.790 29.625 7.908 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -10.822 31.373 10.892 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -10.168 30.823 11.324 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 -10.798 31.099 9.976 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -5.666 32.923 10.108 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -5.050 32.397 10.617 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -6.252 32.283 9.704 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -8.632 27.894 14.204 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -8.851 28.424 13.438 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -9.300 28.121 14.852 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -1.263 37.394 7.748 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -1.559 37.072 6.897 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -1.587 38.294 7.790 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -9.038 29.786 12.157 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -8.425 30.419 12.530 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -8.526 29.314 11.500 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -4.606 25.200 11.657 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -4.723 24.251 11.603 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -5.461 25.532 11.930 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 1.502 38.509 7.908 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 1.245 37.819 7.296 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 1.573 38.066 8.753 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 1.067 34.247 7.109 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 0.335 34.475 7.682 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 1.514 33.533 7.564 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -5.921 38.305 11.673 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -6.016 37.727 10.916 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -5.192 37.934 12.169 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -6.921 33.646 12.625 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -6.356 33.767 11.862 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -6.602 34.283 13.264 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -0.062 33.409 4.794 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 0.517 33.559 5.541 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 0.352 33.880 4.071 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -2.336 40.146 8.229 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -1.862 40.441 9.007 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -2.899 40.884 7.996 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 3.636 25.159 4.607 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 2.737 25.298 4.902 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 3.888 25.990 4.205 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 4.826 39.525 2.984 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 4.899 40.464 3.154 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 5.731 39.220 2.927 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 -9.210 41.891 8.425 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 -9.058 41.543 9.304 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 -10.061 41.535 8.170 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 0.238 42.256 3.647 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 0.613 41.512 3.176 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 0.242 41.986 4.565 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 -0.093 42.182 6.396 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -1.028 42.282 6.575 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 0.187 41.473 6.974 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -7.337 26.103 12.435 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -8.198 26.016 12.027 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -7.359 26.959 12.862 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 -7.246 31.069 13.530 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 -7.888 31.028 14.239 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 -7.209 31.995 13.292 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 -0.709 31.152 10.073 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 -0.904 31.757 9.358 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 -0.527 30.318 9.638 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -12.888 28.505 9.247 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -12.257 28.476 9.967 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -12.438 28.080 8.517 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -4.667 28.717 9.528 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -5.578 28.774 9.817 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -4.162 28.657 10.339 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -3.347 31.505 11.415 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -2.783 30.958 10.868 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -3.495 30.983 12.204 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -4.721 29.893 13.829 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -5.556 30.347 13.939 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -4.197 30.169 14.581 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -4.177 36.106 5.514 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -4.921 35.599 5.191 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -4.311 36.155 6.460 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 0.439 30.787 5.374 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 1.331 30.650 5.693 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 0.496 31.578 4.837 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -9.052 35.401 11.283 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -8.307 35.399 10.682 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -8.974 34.577 11.765 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 5.324 30.997 5.068 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 4.770 30.601 4.396 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 5.425 31.907 4.791 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 3.620 39.783 5.533 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 3.247 38.957 5.843 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 3.897 39.600 4.636 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 -6.677 38.919 8.688 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 -6.150 39.692 8.487 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 -7.557 39.144 8.386 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -5.250 36.582 8.264 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -5.491 37.507 8.306 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -5.990 36.123 8.660 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 -6.566 41.604 7.809 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 -7.516 41.709 7.861 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 -6.215 42.424 8.154 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 5.516 42.239 3.555 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 6.259 42.825 3.415 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 4.821 42.807 3.888 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 -0.891 28.008 6.143 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -0.671 28.480 5.340 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -0.333 28.403 6.814 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -3.222 40.139 5.006 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -4.039 40.636 5.059 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -2.693 40.614 4.366 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 -2.807 26.817 7.916 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 -3.154 27.435 8.561 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 -2.149 27.318 7.435 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -5.884 41.182 4.988 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -5.723 41.982 4.487 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -6.081 41.489 5.873 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 -9.767 25.754 11.453 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 -9.996 25.813 10.526 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 -10.210 24.962 11.760 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -10.837 39.694 7.614 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -11.669 40.167 7.641 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -10.291 40.204 7.015 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 4.310 35.031 2.044 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 4.037 34.606 1.231 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 4.350 35.962 1.827 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -5.182 43.367 3.600 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -4.249 43.525 3.744 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -5.446 44.042 2.975 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 -12.965 43.396 8.160 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -13.612 42.934 7.627 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 -12.610 42.724 8.743 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -12.095 41.477 9.965 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 -12.429 40.596 10.137 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -11.873 41.822 10.829 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 4.769 35.900 6.019 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 5.619 36.321 6.147 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 4.774 35.160 6.627 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 5.163 33.953 7.843 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 4.437 33.474 8.241 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 5.744 34.159 8.575 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 5.431 33.854 4.234 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 4.910 34.211 3.515 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 5.398 34.529 4.912 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 3.780 31.094 2.785 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 3.877 31.761 2.105 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 3.640 30.278 2.303 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 2.950 32.474 8.406 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 2.800 31.529 8.386 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 2.596 32.755 9.250 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -12.015 34.552 12.416 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -11.831 34.470 11.481 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -11.166 34.428 12.840 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 2.660 30.057 6.868 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 2.940 29.150 6.993 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 3.419 30.491 6.479 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 3.274 27.320 6.917 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 3.456 26.871 7.742 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 2.674 26.735 6.453 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -11.196 28.135 11.448 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -10.751 27.343 11.750 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -10.730 28.851 11.879 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 -12.892 31.134 12.517 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 -12.400 30.913 11.727 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 -12.530 31.975 12.798 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 5.140 27.387 3.445 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 5.553 26.666 2.969 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 5.822 28.057 3.503 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 -8.511 40.869 10.932 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 -8.730 39.953 11.101 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 -7.687 41.009 11.398 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 -2.465 27.003 10.925 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 -3.140 26.374 11.180 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 -1.901 26.519 10.322 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 -0.002 25.594 10.209 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 0.074 25.689 9.260 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 -0.278 24.686 10.338 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 1.351 25.620 5.902 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 0.648 26.234 5.692 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 0.906 24.782 6.033 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -11.401 41.383 5.448 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -12.086 41.345 4.780 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -11.398 42.296 5.736 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -2.537 42.593 3.845 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 -1.671 42.959 3.667 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -2.784 42.153 3.032 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 4.172 42.156 6.525 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 3.978 41.408 5.960 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 4.133 42.914 5.941 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 -7.442 47.832 -8.726 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 -7.399 48.692 -9.144 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 -7.900 47.280 -9.359 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -8.632 46.750 -4.652 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -8.851 47.280 -5.418 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -9.300 46.977 -4.004 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -9.038 48.642 -6.699 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -8.425 49.275 -6.326 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -8.526 48.170 -7.356 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -4.606 44.056 -7.199 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -4.723 43.107 -7.253 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -5.461 44.388 -6.926 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 -7.337 44.959 -6.421 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 -8.198 44.872 -6.829 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 -7.359 45.815 -5.994 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -2.674 44.681 -3.047 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -2.254 44.266 -2.294 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -3.607 44.503 -2.930 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 -12.888 47.361 -9.609 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 -12.257 47.332 -8.889 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 -12.438 46.936 -10.339 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 -4.667 47.573 -9.328 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 -5.578 47.630 -9.039 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 -4.162 47.513 -8.517 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 -8.345 46.497 -11.023 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 -8.662 45.595 -11.058 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 -7.564 46.499 -11.575 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 -10.410 47.471 -2.700 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 -11.303 47.810 -2.767 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 -10.509 46.616 -2.282 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 -2.807 45.673 -10.940 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 -3.154 46.291 -10.295 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 -2.149 46.174 -11.421 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 -7.150 46.736 -14.252 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 -7.233 47.625 -13.906 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 -6.260 46.471 -14.021 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 -9.767 44.610 -7.403 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 -9.996 44.669 -8.330 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 -10.210 43.818 -7.096 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -6.110 46.907 -3.589 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -5.574 47.358 -4.241 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -6.962 46.799 -4.011 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 -5.304 44.363 -3.157 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 -5.402 45.310 -3.263 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 -6.047 43.991 -3.633 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -5.082 43.657 -0.486 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -4.370 43.017 -0.500 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -5.183 43.924 -1.400 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 -4.729 45.340 1.568 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 -4.860 44.864 0.747 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 -5.328 46.084 1.512 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 -11.196 46.991 -7.408 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 -10.751 46.199 -7.106 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 -10.730 47.707 -6.977 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 -12.579 46.248 -12.284 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 -13.504 46.457 -12.414 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 -12.125 46.732 -12.974 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 -12.615 44.986 -3.940 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 -13.280 44.740 -3.297 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 -13.058 45.608 -4.517 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 -2.465 45.859 -7.931 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 -3.140 45.230 -7.676 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 -1.901 45.375 -8.534 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -10.139 44.493 -10.109 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -10.916 44.259 -10.617 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -9.608 43.696 -10.101 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -11.302 44.291 -14.306 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 -10.863 44.902 -14.897 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 -11.936 44.829 -13.832 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 -0.002 44.450 -8.647 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 0.074 44.545 -9.596 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 -0.278 43.542 -8.518 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 -4.415 46.500 -13.406 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 -4.237 45.854 -12.723 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 -4.469 47.334 -12.939 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 -10.181 45.007 -0.592 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 -10.547 44.242 -0.149 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 -9.268 45.036 -0.305 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 -8.208 44.358 0.944 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 -7.309 44.084 0.759 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 -8.594 43.615 1.408 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1511 0.214 43.690 1.126 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1511 0.290 43.264 1.980 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1511 1.107 43.704 0.784 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1512 -11.302 44.291 4.550 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1512 -10.863 44.902 3.959 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1512 -11.936 44.829 5.024 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1513 -9.441 46.207 2.993 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1513 -8.950 45.577 2.465 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1513 -8.818 46.503 3.656 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1514 6.651 36.310 -3.460 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1514 6.150 36.282 -4.275 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1514 6.657 35.404 -3.150 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1515 6.402 39.090 -6.576 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1515 7.348 38.946 -6.595 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1515 6.289 39.874 -6.039 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1516 5.968 28.505 -9.609 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1516 6.599 28.476 -8.889 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1516 6.418 28.080 -10.339 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1517 6.812 33.862 -2.258 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1517 7.035 33.444 -1.426 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1517 6.210 33.249 -2.680 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1518 7.215 36.117 1.042 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1518 7.359 35.215 0.756 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1518 6.442 36.403 0.554 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1519 6.841 34.552 -6.440 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1519 7.025 34.470 -7.375 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1519 7.690 34.428 -6.016 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1520 6.439 29.823 -0.299 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1520 7.358 29.701 -0.063 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1520 5.989 29.073 0.090 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1521 5.964 31.134 -6.339 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1521 6.456 30.913 -7.129 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1521 6.326 31.975 -6.058 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1522 6.241 26.130 -3.940 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1522 5.576 25.884 -3.297 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1522 5.798 26.752 -4.517 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1523 7.322 37.205 6.061 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1523 7.050 37.434 5.172 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1523 7.367 38.043 6.521 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1524 7.934 33.781 3.275 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1524 8.550 34.408 3.654 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1524 7.072 34.097 3.546 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1525 7.242 38.003 3.083 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1525 8.156 38.082 3.356 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1525 7.249 37.316 2.416 0.00 0.00 WAT1 END