REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2010 13:35:12 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -0.378 -28.778 14.919 1.00 40.31 ATOM 2 CB MET 1 -1.661 -28.428 13.242 1.00 51.12 ATOM 3 HB1 MET 1 -1.463 -27.366 13.156 1.00 38.48 ATOM 4 HB2 MET 1 -2.698 -28.607 12.992 1.00 65.43 ATOM 5 CG MET 1 -0.804 -29.169 12.229 1.00 45.22 ATOM 6 HG1 MET 1 -1.244 -29.033 11.252 1.00 38.48 ATOM 7 HG2 MET 1 -0.786 -30.221 12.459 1.00 32.12 ATOM 8 SD MET 1 0.891 -28.556 12.173 1.00 41.43 ATOM 9 CE MET 1 1.686 -29.844 11.216 1.00 70.32 ATOM 10 HE1 MET 1 1.219 -29.911 10.245 1.00 22.35 ATOM 11 HE2 MET 1 1.585 -30.789 11.730 1.00 62.02 ATOM 12 HE3 MET 1 2.733 -29.609 11.096 1.00 61.10 ATOM 13 C MET 1 -2.223 -27.992 15.640 1.00 21.14 ATOM 14 O MET 1 -3.130 -28.460 16.326 1.00 34.43 ATOM 15 N MET 1 -1.799 -30.279 14.846 1.00 55.44 ATOM 16 HT1 MET 1 -1.157 -30.893 14.308 1.00 38.48 ATOM 17 HT2 MET 1 -2.775 -30.445 14.518 1.00 38.48 ATOM 18 HT3 MET 1 -1.740 -30.555 15.851 1.00 38.48 ATOM 19 CA MET 1 -1.428 -28.877 14.685 1.00 34.45 ATOM 20 N GLY 2 -1.875 -26.709 15.680 1.00 64.45 ATOM 21 HN GLY 2 -1.141 -26.386 15.105 1.00 38.48 ATOM 22 CA GLY 2 -2.565 -25.780 16.554 1.00 11.40 ATOM 23 HA1 GLY 2 -2.655 -26.214 17.543 1.00 38.48 ATOM 24 HA2 GLY 2 -3.555 -25.602 16.161 1.00 54.33 ATOM 25 C GLY 2 -1.843 -24.453 16.676 1.00 43.43 ATOM 26 O GLY 2 -1.227 -24.164 17.702 1.00 21.44 ATOM 27 N HIS 3 -1.916 -23.642 15.625 1.00 61.24 ATOM 28 HN HIS 3 -2.435 -23.924 14.833 1.00 38.48 ATOM 29 CA HIS 3 -1.262 -22.338 15.618 1.00 74.13 ATOM 30 HA HIS 3 -0.263 -22.461 16.028 1.00 62.04 ATOM 31 CB HIS 3 -1.150 -21.808 14.188 1.00 64.21 ATOM 32 HB1 HIS 3 -1.030 -20.731 14.204 1.00 38.48 ATOM 33 HB2 HIS 3 -2.051 -22.051 13.644 1.00 61.40 ATOM 34 CG HIS 3 0.012 -22.374 13.430 1.00 54.45 ATOM 35 ND1 HIS 3 -0.134 -23.167 12.311 1.00 33.35 ATOM 36 HD1 HIS 3 -0.985 -23.436 11.907 1.00 15.10 ATOM 37 CD2 HIS 3 1.344 -22.255 13.633 1.00 5.33 ATOM 38 HD2 HIS 3 1.824 -21.698 14.426 1.00 15.20 ATOM 39 CE1 HIS 3 1.058 -23.514 11.861 1.00 4.43 ATOM 40 HE1 HIS 3 1.252 -24.134 10.998 1.00 64.21 ATOM 41 NE2 HIS 3 1.973 -22.972 12.646 1.00 60.34 ATOM 42 HE2 HIS 3 2.936 -23.146 12.595 1.00 38.48 ATOM 43 C HIS 3 -2.028 -21.342 16.483 1.00 34.00 ATOM 44 O HIS 3 -3.252 -21.237 16.392 1.00 50.15 ATOM 45 N HIS 4 -1.301 -20.613 17.323 1.00 23.24 ATOM 46 HN HIS 4 -0.325 -20.737 17.362 1.00 38.48 ATOM 47 CA HIS 4 -1.912 -19.626 18.206 1.00 50.55 ATOM 48 HA HIS 4 -2.971 -19.552 17.982 1.00 65.03 ATOM 49 CB HIS 4 -1.760 -20.051 19.666 1.00 24.41 ATOM 50 HB1 HIS 4 -0.709 -20.111 19.914 1.00 38.48 ATOM 51 HB2 HIS 4 -2.208 -21.025 19.795 1.00 43.45 ATOM 52 CG HIS 4 -2.415 -19.116 20.634 1.00 10.54 ATOM 53 ND1 HIS 4 -3.762 -19.155 20.925 1.00 33.42 ATOM 54 HD1 HIS 4 -4.413 -19.779 20.540 1.00 15.14 ATOM 55 CD2 HIS 4 -1.900 -18.111 21.382 1.00 60.34 ATOM 56 HD2 HIS 4 -0.866 -17.796 21.407 1.00 74.10 ATOM 57 CE1 HIS 4 -4.048 -18.215 21.808 1.00 30.10 ATOM 58 HE1 HIS 4 -5.025 -18.011 22.220 1.00 23.52 ATOM 59 NE2 HIS 4 -2.935 -17.568 22.102 1.00 40.51 ATOM 60 HE2 HIS 4 -2.837 -16.924 22.834 1.00 38.48 ATOM 61 C HIS 4 -1.287 -18.250 17.997 1.00 43.43 ATOM 62 O HIS 4 -0.379 -17.852 18.727 1.00 3.43 ATOM 63 N HIS 5 -1.778 -17.528 16.994 1.00 2.44 ATOM 64 HN HIS 5 -2.516 -17.892 16.449 1.00 38.48 ATOM 65 CA HIS 5 -1.267 -16.196 16.689 1.00 2.14 ATOM 66 HA HIS 5 -0.275 -16.090 17.117 1.00 75.33 ATOM 67 CB HIS 5 -1.174 -15.997 15.176 1.00 1.53 ATOM 68 HB1 HIS 5 -1.196 -14.940 14.938 1.00 38.48 ATOM 69 HB2 HIS 5 -2.015 -16.479 14.699 1.00 53.22 ATOM 70 CG HIS 5 0.076 -16.560 14.574 1.00 41.14 ATOM 71 ND1 HIS 5 0.106 -17.750 13.877 1.00 11.23 ATOM 72 HD1 HIS 5 -0.663 -18.334 13.709 1.00 33.32 ATOM 73 CD2 HIS 5 1.345 -16.089 14.564 1.00 11.53 ATOM 74 HD2 HIS 5 1.691 -15.171 15.018 1.00 10.24 ATOM 75 CE1 HIS 5 1.339 -17.987 13.467 1.00 2.25 ATOM 76 HE1 HIS 5 1.662 -18.846 12.897 1.00 44.22 ATOM 77 NE2 HIS 5 2.110 -16.993 13.871 1.00 65.41 ATOM 78 HE2 HIS 5 3.085 -16.962 13.780 1.00 38.48 ATOM 79 C HIS 5 -2.157 -15.119 17.303 1.00 45.14 ATOM 80 O HIS 5 -3.211 -15.416 17.864 1.00 33.24 ATOM 81 N HIS 6 -1.724 -13.867 17.192 1.00 40.22 ATOM 82 HN HIS 6 -0.864 -13.687 16.744 1.00 38.48 ATOM 83 CA HIS 6 -2.482 -12.745 17.736 1.00 65.33 ATOM 84 HA HIS 6 -3.511 -13.052 17.889 1.00 13.21 ATOM 85 CB HIS 6 -1.887 -12.302 19.073 1.00 53.21 ATOM 86 HB1 HIS 6 -2.260 -11.317 19.331 1.00 38.48 ATOM 87 HB2 HIS 6 -0.812 -12.260 18.987 1.00 4.00 ATOM 88 CG HIS 6 -2.220 -13.218 20.210 1.00 61.54 ATOM 89 ND1 HIS 6 -1.325 -13.532 21.210 1.00 24.04 ATOM 90 HD1 HIS 6 -0.406 -13.200 21.280 1.00 24.44 ATOM 91 CD2 HIS 6 -3.359 -13.889 20.502 1.00 63.31 ATOM 92 HD2 HIS 6 -4.276 -13.875 19.929 1.00 42.14 ATOM 93 CE1 HIS 6 -1.898 -14.357 22.068 1.00 24.40 ATOM 94 HE1 HIS 6 -1.436 -14.770 22.953 1.00 40.32 ATOM 95 NE2 HIS 6 -3.133 -14.590 21.661 1.00 4.32 ATOM 96 HE2 HIS 6 -3.819 -15.053 22.185 1.00 38.48 ATOM 97 C HIS 6 -2.495 -11.574 16.758 1.00 13.02 ATOM 98 O HIS 6 -1.694 -11.522 15.824 1.00 11.25 ATOM 99 N HIS 7 -3.411 -10.636 16.979 1.00 72.13 ATOM 100 HN HIS 7 -4.030 -10.736 17.742 1.00 38.48 ATOM 101 CA HIS 7 -3.529 -9.465 16.117 1.00 73.31 ATOM 102 HA HIS 7 -2.560 -8.984 16.069 1.00 53.22 ATOM 103 CB HIS 7 -3.944 -9.884 14.706 1.00 64.11 ATOM 104 HB1 HIS 7 -3.311 -10.680 14.353 1.00 38.48 ATOM 105 HB2 HIS 7 -3.834 -9.035 14.048 1.00 12.01 ATOM 106 CG HIS 7 -5.366 -10.345 14.611 1.00 4.40 ATOM 107 ND1 HIS 7 -6.429 -9.479 14.463 1.00 3.03 ATOM 108 HD1 HIS 7 -6.369 -8.502 14.407 1.00 14.22 ATOM 109 CD2 HIS 7 -5.897 -11.589 14.642 1.00 70.11 ATOM 110 HD2 HIS 7 -5.351 -12.516 14.747 1.00 24.14 ATOM 111 CE1 HIS 7 -7.553 -10.171 14.409 1.00 2.11 ATOM 112 HE1 HIS 7 -8.544 -9.758 14.296 1.00 13.30 ATOM 113 NE2 HIS 7 -7.258 -11.454 14.515 1.00 63.02 ATOM 114 HE2 HIS 7 -7.912 -12.179 14.599 1.00 38.48 ATOM 115 C HIS 7 -4.541 -8.473 16.683 1.00 22.55 ATOM 116 O HIS 7 -5.468 -8.856 17.398 1.00 62.30 ATOM 117 N HIS 8 -4.356 -7.197 16.361 1.00 62.34 ATOM 118 HN HIS 8 -3.586 -6.947 15.797 1.00 38.48 ATOM 119 CA HIS 8 -5.252 -6.150 16.838 1.00 72.32 ATOM 120 HA HIS 8 -6.251 -6.566 16.934 1.00 54.22 ATOM 121 CB HIS 8 -4.792 -5.639 18.203 1.00 33.03 ATOM 122 HB1 HIS 8 -5.338 -4.738 18.456 1.00 38.48 ATOM 123 HB2 HIS 8 -3.737 -5.410 18.156 1.00 3.34 ATOM 124 CG HIS 8 -5.007 -6.621 19.314 1.00 54.41 ATOM 125 ND1 HIS 8 -6.245 -7.142 19.629 1.00 44.25 ATOM 126 HD1 HIS 8 -7.087 -6.931 19.175 1.00 43.24 ATOM 127 CD2 HIS 8 -4.134 -7.177 20.185 1.00 23.31 ATOM 128 HD2 HIS 8 -3.069 -6.995 20.229 1.00 22.30 ATOM 129 CE1 HIS 8 -6.123 -7.975 20.646 1.00 20.32 ATOM 130 HE1 HIS 8 -6.926 -8.531 21.107 1.00 35.43 ATOM 131 NE2 HIS 8 -4.852 -8.015 21.002 1.00 23.15 ATOM 132 HE2 HIS 8 -4.500 -8.483 21.788 1.00 38.48 ATOM 133 C HIS 8 -5.316 -4.995 15.844 1.00 44.43 ATOM 134 O HIS 8 -4.383 -4.776 15.071 1.00 4.22 ATOM 135 N SER 9 -6.422 -4.259 15.869 1.00 52.23 ATOM 136 HN SER 9 -7.140 -4.488 16.507 1.00 38.48 ATOM 137 CA SER 9 -6.609 -3.128 14.967 1.00 72.54 ATOM 138 HA SER 9 -5.696 -2.543 14.967 1.00 52.33 ATOM 139 CB SER 9 -6.874 -3.623 13.543 1.00 31.13 ATOM 140 HB1 SER 9 -6.021 -4.190 13.200 1.00 38.48 ATOM 141 HB2 SER 9 -7.029 -2.779 12.885 1.00 1.43 ATOM 142 OG SER 9 -8.020 -4.456 13.498 1.00 41.33 ATOM 143 HG SER 9 -8.090 -4.858 12.629 1.00 22.32 ATOM 144 C SER 9 -7.763 -2.246 15.433 1.00 2.14 ATOM 145 O SER 9 -8.837 -2.739 15.779 1.00 70.35 ATOM 146 N HIS 10 -7.532 -0.937 15.441 1.00 13.34 ATOM 147 HN HIS 10 -6.647 -0.597 15.167 1.00 38.48 ATOM 148 CA HIS 10 -8.552 0.016 15.865 1.00 1.42 ATOM 149 HA HIS 10 -9.530 -0.384 15.616 1.00 13.22 ATOM 150 CB HIS 10 -8.471 0.244 17.375 1.00 51.21 ATOM 151 HB1 HIS 10 -8.985 1.162 17.634 1.00 38.48 ATOM 152 HB2 HIS 10 -7.435 0.328 17.668 1.00 1.42 ATOM 153 CG HIS 10 -9.090 -0.857 18.181 1.00 43.54 ATOM 154 ND1 HIS 10 -8.400 -1.565 19.142 1.00 42.41 ATOM 155 HD1 HIS 10 -7.462 -1.428 19.391 1.00 31.13 ATOM 156 CD2 HIS 10 -10.343 -1.369 18.165 1.00 45.40 ATOM 157 HD2 HIS 10 -11.158 -1.051 17.530 1.00 63.44 ATOM 158 CE1 HIS 10 -9.201 -2.466 19.681 1.00 0.25 ATOM 159 HE1 HIS 10 -8.933 -3.164 20.460 1.00 23.04 ATOM 160 NE2 HIS 10 -10.386 -2.367 19.106 1.00 30.35 ATOM 161 HE2 HIS 10 -11.139 -2.976 19.256 1.00 38.48 ATOM 162 C HIS 10 -8.394 1.344 15.129 1.00 31.34 ATOM 163 O HIS 10 -7.395 1.571 14.448 1.00 51.32 ATOM 164 N MET 11 -9.387 2.215 15.272 1.00 51.41 ATOM 165 HN MET 11 -10.171 1.971 15.820 1.00 38.48 ATOM 166 CA MET 11 -9.358 3.520 14.621 1.00 65.02 ATOM 167 HA MET 11 -8.326 3.846 14.544 1.00 10.42 ATOM 168 CB MET 11 -9.948 3.425 13.213 1.00 74.41 ATOM 169 HB1 MET 11 -9.446 2.621 12.691 1.00 38.48 ATOM 170 HB2 MET 11 -9.759 4.354 12.693 1.00 2.20 ATOM 171 CG MET 11 -11.446 3.165 13.199 1.00 70.33 ATOM 172 HG1 MET 11 -11.960 4.095 13.391 1.00 38.48 ATOM 173 HG2 MET 11 -11.693 2.452 13.975 1.00 25.22 ATOM 174 SD MET 11 -12.022 2.505 11.623 1.00 65.35 ATOM 175 CE MET 11 -13.755 2.234 11.982 1.00 53.25 ATOM 176 HE1 MET 11 -13.848 1.537 12.802 1.00 61.40 ATOM 177 HE2 MET 11 -14.245 1.830 11.108 1.00 32.13 ATOM 178 HE3 MET 11 -14.218 3.172 12.252 1.00 63.12 ATOM 179 C MET 11 -10.126 4.553 15.439 1.00 50.25 ATOM 180 O MET 11 -11.018 4.207 16.213 1.00 44.12 ATOM 181 N ALA 12 -9.774 5.822 15.261 1.00 10.42 ATOM 182 HN ALA 12 -9.041 6.041 14.638 1.00 38.48 ATOM 183 CA ALA 12 -10.432 6.905 15.981 1.00 11.45 ATOM 184 HA ALA 12 -11.413 6.568 16.302 1.00 61.30 ATOM 185 CB ALA 12 -9.639 7.268 17.228 1.00 13.14 ATOM 186 HB1 ALA 12 -9.524 6.390 17.846 1.00 15.45 ATOM 187 HB2 ALA 12 -10.165 8.031 17.785 1.00 14.04 ATOM 188 HB3 ALA 12 -8.663 7.637 16.945 1.00 1.44 ATOM 189 C ALA 12 -10.609 8.130 15.090 1.00 61.21 ATOM 190 O ALA 12 -9.705 8.501 14.340 1.00 34.32 ATOM 191 N LYS 13 -11.779 8.754 15.175 1.00 3.13 ATOM 192 HN LYS 13 -12.465 8.422 15.801 1.00 38.48 ATOM 193 CA LYS 13 -12.075 9.938 14.377 1.00 61.41 ATOM 194 HA LYS 13 -11.322 10.024 13.602 1.00 21.14 ATOM 195 CB LYS 13 -13.450 9.803 13.719 1.00 12.33 ATOM 196 HB1 LYS 13 -13.892 10.784 13.590 1.00 38.48 ATOM 197 HB2 LYS 13 -14.093 9.224 14.369 1.00 75.01 ATOM 198 CG LYS 13 -13.413 9.113 12.367 1.00 41.44 ATOM 199 HG1 LYS 13 -13.273 8.052 12.524 1.00 38.48 ATOM 200 HG2 LYS 13 -12.586 9.507 11.791 1.00 34.52 ATOM 201 CD LYS 13 -14.700 9.338 11.590 1.00 3.23 ATOM 202 HD1 LYS 13 -14.807 10.394 11.386 1.00 38.48 ATOM 203 HD2 LYS 13 -15.538 8.997 12.182 1.00 44.43 ATOM 204 CE LYS 13 -14.695 8.579 10.272 1.00 11.41 ATOM 205 HE1 LYS 13 -15.656 8.709 9.796 1.00 38.48 ATOM 206 HE2 LYS 13 -14.534 7.528 10.468 1.00 75.31 ATOM 207 NZ LYS 13 -13.631 9.071 9.353 1.00 33.41 ATOM 208 HZ1 LYS 13 -13.727 8.612 8.425 1.00 22.21 ATOM 209 HZ2 LYS 13 -12.691 8.848 9.734 1.00 30.52 ATOM 210 HZ3 LYS 13 -13.707 10.103 9.223 1.00 11.22 ATOM 211 C LYS 13 -12.031 11.198 15.235 1.00 20.21 ATOM 212 O LYS 13 -12.125 11.146 16.462 1.00 53.24 ATOM 213 N PRO 14 -11.886 12.358 14.578 1.00 62.14 ATOM 214 CA PRO 14 -11.828 13.653 15.261 1.00 13.42 ATOM 215 HA PRO 14 -11.072 13.661 16.033 1.00 21.13 ATOM 216 CB PRO 14 -11.434 14.626 14.146 1.00 35.53 ATOM 217 HB1 PRO 14 -10.361 14.744 14.139 1.00 38.48 ATOM 218 HB2 PRO 14 -11.902 15.592 14.293 1.00 10.01 ATOM 219 CG PRO 14 -11.906 13.975 12.892 1.00 71.40 ATOM 220 HG1 PRO 14 -11.290 14.287 12.062 1.00 38.48 ATOM 221 HG2 PRO 14 -12.940 14.232 12.712 1.00 43.11 ATOM 222 CD PRO 14 -11.767 12.494 13.116 1.00 11.22 ATOM 223 HD1 PRO 14 -10.801 12.152 12.774 1.00 38.48 ATOM 224 HD2 PRO 14 -12.551 11.978 12.598 1.00 2.34 ATOM 225 C PRO 14 -13.171 14.051 15.864 1.00 32.45 ATOM 226 O PRO 14 -14.172 13.353 15.694 1.00 64.21 ATOM 227 N THR 15 -13.188 15.177 16.571 1.00 63.21 ATOM 228 HN THR 15 -12.354 15.691 16.687 1.00 38.48 ATOM 229 CA THR 15 -14.408 15.666 17.200 1.00 4.52 ATOM 230 HA THR 15 -15.266 15.226 16.701 1.00 25.00 ATOM 231 CB THR 15 -14.471 15.270 18.687 1.00 2.03 ATOM 232 HB THR 15 -14.374 14.196 18.762 1.00 12.23 ATOM 233 OG1 THR 15 -15.727 15.667 19.247 1.00 15.32 ATOM 234 HG1 THR 15 -16.401 15.021 19.018 1.00 52.54 ATOM 235 CG2 THR 15 -13.336 15.915 19.468 1.00 65.21 ATOM 236 HG21 THR 15 -12.393 15.742 18.966 1.00 14.41 ATOM 237 HG22 THR 15 -13.295 15.479 20.455 1.00 40.02 ATOM 238 HG23 THR 15 -13.508 16.977 19.558 1.00 55.10 ATOM 239 C THR 15 -14.515 17.183 17.085 1.00 31.31 ATOM 240 O THR 15 -13.506 17.880 16.982 1.00 73.22 ATOM 241 N ALA 16 -15.744 17.687 17.104 1.00 15.34 ATOM 242 HN ALA 16 -16.519 17.081 17.176 1.00 38.48 ATOM 243 CA ALA 16 -15.983 19.122 17.005 1.00 31.21 ATOM 244 HA ALA 16 -15.052 19.653 17.172 1.00 32.31 ATOM 245 CB ALA 16 -16.474 19.480 15.610 1.00 34.33 ATOM 246 HB1 ALA 16 -17.423 18.998 15.423 1.00 11.41 ATOM 247 HB2 ALA 16 -15.752 19.144 14.880 1.00 3.03 ATOM 248 HB3 ALA 16 -16.592 20.552 15.529 1.00 21.23 ATOM 249 C ALA 16 -16.986 19.586 18.056 1.00 24.43 ATOM 250 O ALA 16 -17.742 18.783 18.603 1.00 73.11 ATOM 251 N ARG 17 -16.985 20.885 18.335 1.00 10.11 ATOM 252 HN ARG 17 -16.347 21.481 17.875 1.00 38.48 ATOM 253 CA ARG 17 -17.894 21.455 19.323 1.00 65.02 ATOM 254 HA ARG 17 -18.720 20.764 19.469 1.00 74.23 ATOM 255 CB ARG 17 -17.172 21.652 20.657 1.00 3.30 ATOM 256 HB1 ARG 17 -16.713 22.633 20.680 1.00 38.48 ATOM 257 HB2 ARG 17 -16.383 20.914 20.744 1.00 0.14 ATOM 258 CG ARG 17 -18.085 21.537 21.866 1.00 11.44 ATOM 259 HG1 ARG 17 -19.052 21.967 21.635 1.00 38.48 ATOM 260 HG2 ARG 17 -17.638 22.084 22.684 1.00 62.21 ATOM 261 CD ARG 17 -18.274 20.088 22.286 1.00 1.13 ATOM 262 HD1 ARG 17 -17.366 19.534 22.075 1.00 38.48 ATOM 263 HD2 ARG 17 -19.090 19.667 21.719 1.00 14.52 ATOM 264 NE ARG 17 -18.577 19.966 23.710 1.00 61.43 ATOM 265 HE ARG 17 -18.798 20.788 24.207 1.00 62.30 ATOM 266 CZ ARG 17 -18.575 18.810 24.365 1.00 63.02 ATOM 267 NH1 ARG 17 -18.286 17.684 23.728 1.00 73.43 ATOM 268 HH11 ARG 17 -18.068 17.675 22.755 1.00 73.41 ATOM 269 HH12 ARG 17 -18.285 16.818 24.232 1.00 71.25 ATOM 270 NH2 ARG 17 -18.861 18.780 25.660 1.00 22.31 ATOM 271 HH21 ARG 17 -19.079 19.628 26.147 1.00 75.22 ATOM 272 HH22 ARG 17 -18.860 17.909 26.156 1.00 31.31 ATOM 273 C ARG 17 -18.459 22.786 18.837 1.00 55.04 ATOM 274 O ARG 17 -17.740 23.779 18.738 1.00 51.11 ATOM 275 N GLY 18 -19.754 22.798 18.534 1.00 71.35 ATOM 276 HN GLY 18 -20.291 21.978 18.641 1.00 38.48 ATOM 277 CA GLY 18 -20.394 24.011 18.061 1.00 54.12 ATOM 278 HA1 GLY 18 -19.664 24.660 17.589 1.00 38.48 ATOM 279 HA2 GLY 18 -20.819 24.529 18.907 1.00 53.41 ATOM 280 C GLY 18 -21.499 23.732 17.061 1.00 12.11 ATOM 281 O GLY 18 -22.680 23.791 17.400 1.00 35.22 ATOM 282 N GLU 19 -21.114 23.429 15.825 1.00 13.32 ATOM 283 HN GLU 19 -20.156 23.394 15.604 1.00 38.48 ATOM 284 CA GLU 19 -22.082 23.143 14.773 1.00 73.11 ATOM 285 HA GLU 19 -21.545 23.069 13.839 1.00 13.34 ATOM 286 CB GLU 19 -22.788 21.813 15.047 1.00 40.15 ATOM 287 HB1 GLU 19 -23.363 21.545 14.171 1.00 38.48 ATOM 288 HB2 GLU 19 -23.461 21.933 15.887 1.00 21.55 ATOM 289 CG GLU 19 -21.836 20.674 15.371 1.00 42.24 ATOM 290 HG1 GLU 19 -21.456 20.814 16.372 1.00 38.48 ATOM 291 HG2 GLU 19 -21.013 20.689 14.669 1.00 63.33 ATOM 292 CD GLU 19 -22.503 19.315 15.291 1.00 55.11 ATOM 293 OE1 GLU 19 -22.700 18.816 14.163 1.00 42.42 ATOM 294 OE2 GLU 19 -22.830 18.750 16.356 1.00 42.43 ATOM 295 C GLU 19 -23.112 24.264 14.661 1.00 64.11 ATOM 296 O GLU 19 -24.293 24.015 14.422 1.00 22.42 ATOM 297 N ALA 20 -22.654 25.499 14.836 1.00 42.32 ATOM 298 HN ALA 20 -21.696 25.652 15.001 1.00 38.48 ATOM 299 CA ALA 20 -23.533 26.659 14.753 1.00 33.32 ATOM 300 HA ALA 20 -24.564 26.328 14.708 1.00 54.13 ATOM 301 CB ALA 20 -23.388 27.521 15.998 1.00 34.14 ATOM 302 HB1 ALA 20 -22.395 27.947 16.035 1.00 63.41 ATOM 303 HB2 ALA 20 -23.545 26.909 16.874 1.00 14.15 ATOM 304 HB3 ALA 20 -24.120 28.314 15.982 1.00 2.25 ATOM 305 C ALA 20 -23.243 27.480 13.502 1.00 44.22 ATOM 306 O ALA 20 -22.373 27.130 12.705 1.00 21.34 ATOM 307 N GLY 21 -23.977 28.576 13.334 1.00 34.34 ATOM 308 HN GLY 21 -24.675 28.811 13.984 1.00 38.48 ATOM 309 CA GLY 21 -23.783 29.429 12.177 1.00 14.40 ATOM 310 HA1 GLY 21 -22.794 29.279 11.757 1.00 38.48 ATOM 311 HA2 GLY 21 -23.862 30.457 12.500 1.00 1.00 ATOM 312 C GLY 21 -24.821 29.189 11.099 1.00 73.12 ATOM 313 O GLY 21 -25.946 28.782 11.390 1.00 51.20 ATOM 314 N SER 22 -24.444 29.442 9.850 1.00 53.24 ATOM 315 HN SER 22 -23.536 29.778 9.677 1.00 38.48 ATOM 316 CA SER 22 -25.353 29.256 8.724 1.00 2.03 ATOM 317 HA SER 22 -26.370 29.188 9.092 1.00 4.34 ATOM 318 CB SER 22 -25.270 30.450 7.771 1.00 2.15 ATOM 319 HB1 SER 22 -25.665 30.195 6.797 1.00 38.48 ATOM 320 HB2 SER 22 -24.239 30.751 7.663 1.00 60.32 ATOM 321 OG SER 22 -26.008 31.552 8.270 1.00 53.35 ATOM 322 HG SER 22 -26.942 31.429 8.080 1.00 14.01 ATOM 323 C SER 22 -25.030 27.968 7.973 1.00 51.01 ATOM 324 O SER 22 -24.106 27.240 8.335 1.00 21.04 ATOM 325 N ARG 23 -25.799 27.694 6.924 1.00 21.21 ATOM 326 HN ARG 23 -26.540 28.302 6.692 1.00 38.48 ATOM 327 CA ARG 23 -25.597 26.494 6.122 1.00 63.44 ATOM 328 HA ARG 23 -25.624 25.641 6.790 1.00 33.14 ATOM 329 CB ARG 23 -26.710 26.356 5.082 1.00 51.14 ATOM 330 HB1 ARG 23 -26.449 26.928 4.201 1.00 38.48 ATOM 331 HB2 ARG 23 -27.622 26.768 5.499 1.00 24.55 ATOM 332 CG ARG 23 -27.000 24.917 4.686 1.00 11.43 ATOM 333 HG1 ARG 23 -27.717 24.502 5.379 1.00 38.48 ATOM 334 HG2 ARG 23 -26.086 24.338 4.721 1.00 75.24 ATOM 335 CD ARG 23 -27.571 24.830 3.279 1.00 2.45 ATOM 336 HD1 ARG 23 -28.466 25.435 3.222 1.00 38.48 ATOM 337 HD2 ARG 23 -27.824 23.799 3.075 1.00 51.44 ATOM 338 NE ARG 23 -26.619 25.292 2.273 1.00 43.30 ATOM 339 HE ARG 23 -25.755 25.652 2.583 1.00 1.22 ATOM 340 CZ ARG 23 -26.852 25.249 0.966 1.00 62.40 ATOM 341 NH1 ARG 23 -28.000 24.767 0.510 1.00 63.13 ATOM 342 HH11 ARG 23 -28.706 24.430 1.132 1.00 51.13 ATOM 343 HH12 ARG 23 -28.168 24.738 -0.478 1.00 13.21 ATOM 344 NH2 ARG 23 -25.936 25.688 0.112 1.00 22.14 ATOM 345 HH21 ARG 23 -25.070 26.047 0.453 1.00 74.04 ATOM 346 HH22 ARG 23 -26.109 25.660 -0.875 1.00 11.52 ATOM 347 C ARG 23 -24.238 26.526 5.427 1.00 55.50 ATOM 348 O ARG 23 -23.585 25.495 5.270 1.00 31.22 ATOM 349 N ASP 24 -23.820 27.717 5.013 1.00 55.43 ATOM 350 HN ASP 24 -24.371 28.511 5.201 1.00 38.48 ATOM 351 CA ASP 24 -22.540 27.885 4.335 1.00 10.22 ATOM 352 HA ASP 24 -22.454 27.120 3.574 1.00 44.34 ATOM 353 CB ASP 24 -22.471 29.256 3.661 1.00 55.23 ATOM 354 HB1 ASP 24 -21.725 29.233 2.882 1.00 38.48 ATOM 355 HB2 ASP 24 -22.197 30.008 4.391 1.00 13.31 ATOM 356 CG ASP 24 -23.797 29.668 3.051 1.00 42.23 ATOM 357 OD1 ASP 24 -24.701 30.068 3.813 1.00 75.12 ATOM 358 OD2 ASP 24 -23.930 29.590 1.811 1.00 3.02 ATOM 359 C ASP 24 -21.382 27.728 5.316 1.00 41.43 ATOM 360 O ASP 24 -20.291 27.303 4.938 1.00 23.03 ATOM 361 N GLU 25 -21.628 28.076 6.575 1.00 41.10 ATOM 362 HN GLU 25 -22.514 28.428 6.821 1.00 38.48 ATOM 363 CA GLU 25 -20.604 27.975 7.609 1.00 52.45 ATOM 364 HA GLU 25 -19.739 28.527 7.271 1.00 52.30 ATOM 365 CB GLU 25 -21.119 28.560 8.926 1.00 45.03 ATOM 366 HB1 GLU 25 -20.650 28.050 9.760 1.00 38.48 ATOM 367 HB2 GLU 25 -22.178 28.410 8.990 1.00 44.31 ATOM 368 CG GLU 25 -20.836 30.045 9.084 1.00 75.30 ATOM 369 HG1 GLU 25 -21.207 30.368 10.046 1.00 38.48 ATOM 370 HG2 GLU 25 -21.351 30.582 8.302 1.00 50.52 ATOM 371 CD GLU 25 -19.358 30.370 9.000 1.00 22.32 ATOM 372 OE1 GLU 25 -19.019 31.463 8.499 1.00 23.54 ATOM 373 OE2 GLU 25 -18.540 29.532 9.435 1.00 40.14 ATOM 374 C GLU 25 -20.180 26.524 7.815 1.00 52.13 ATOM 375 O GLU 25 -18.989 26.213 7.851 1.00 14.52 ATOM 376 N ARG 26 -21.163 25.640 7.950 1.00 53.15 ATOM 377 HN ARG 26 -22.100 25.950 7.922 1.00 38.48 ATOM 378 CA ARG 26 -20.893 24.222 8.154 1.00 40.10 ATOM 379 HA ARG 26 -20.433 24.098 9.108 1.00 41.12 ATOM 380 CB ARG 26 -22.198 23.424 8.133 1.00 41.11 ATOM 381 HB1 ARG 26 -21.966 22.376 7.996 1.00 38.48 ATOM 382 HB2 ARG 26 -22.791 23.762 7.293 1.00 23.30 ATOM 383 CG ARG 26 -23.015 23.559 9.407 1.00 10.04 ATOM 384 HG1 ARG 26 -22.913 24.566 9.795 1.00 38.48 ATOM 385 HG2 ARG 26 -22.637 22.856 10.135 1.00 23.42 ATOM 386 CD ARG 26 -24.489 23.284 9.156 1.00 73.23 ATOM 387 HD1 ARG 26 -24.647 22.956 8.135 1.00 38.48 ATOM 388 HD2 ARG 26 -25.034 24.204 9.313 1.00 60.43 ATOM 389 NE ARG 26 -25.022 22.276 10.069 1.00 3.21 ATOM 390 HE ARG 26 -25.611 22.588 10.791 1.00 32.35 ATOM 391 CZ ARG 26 -24.752 20.979 9.971 1.00 40.34 ATOM 392 NH1 ARG 26 -23.960 20.535 9.004 1.00 31.05 ATOM 393 HH11 ARG 26 -23.564 21.140 8.334 1.00 52.44 ATOM 394 HH12 ARG 26 -23.754 19.555 8.949 1.00 24.03 ATOM 395 NH2 ARG 26 -25.274 20.124 10.840 1.00 34.11 ATOM 396 HH21 ARG 26 -25.873 20.453 11.573 1.00 44.21 ATOM 397 HH22 ARG 26 -25.072 19.145 10.768 1.00 10.21 ATOM 398 C ARG 26 -19.942 23.690 7.086 1.00 42.52 ATOM 399 O ARG 26 -19.113 22.821 7.356 1.00 42.32 ATOM 400 N ARG 27 -20.068 24.218 5.873 1.00 53.24 ATOM 401 HN ARG 27 -20.767 24.892 5.705 1.00 38.48 ATOM 402 CA ARG 27 -19.222 23.796 4.764 1.00 65.44 ATOM 403 HA ARG 27 -19.286 22.717 4.683 1.00 24.11 ATOM 404 CB ARG 27 -19.700 24.432 3.457 1.00 0.24 ATOM 405 HB1 ARG 27 -18.855 24.653 2.827 1.00 38.48 ATOM 406 HB2 ARG 27 -20.201 25.359 3.683 1.00 53.34 ATOM 407 CG ARG 27 -20.659 23.556 2.668 1.00 30.13 ATOM 408 HG1 ARG 27 -21.401 23.144 3.339 1.00 38.48 ATOM 409 HG2 ARG 27 -20.103 22.753 2.209 1.00 24.32 ATOM 410 CD ARG 27 -21.370 24.347 1.581 1.00 22.51 ATOM 411 HD1 ARG 27 -20.664 24.619 0.810 1.00 38.48 ATOM 412 HD2 ARG 27 -21.773 25.242 2.031 1.00 62.25 ATOM 413 NE ARG 27 -22.483 23.600 1.001 1.00 40.43 ATOM 414 HE ARG 27 -23.388 23.831 1.305 1.00 13.14 ATOM 415 CZ ARG 27 -22.331 22.639 0.096 1.00 14.33 ATOM 416 NH1 ARG 27 -21.120 22.309 -0.328 1.00 45.23 ATOM 417 HH11 ARG 27 -20.303 22.763 0.016 1.00 15.12 ATOM 418 HH12 ARG 27 -21.018 21.584 -1.013 1.00 51.35 ATOM 419 NH2 ARG 27 -23.393 22.006 -0.385 1.00 35.23 ATOM 420 HH21 ARG 27 -24.312 22.250 -0.068 1.00 24.32 ATOM 421 HH22 ARG 27 -23.281 21.281 -1.068 1.00 74.13 ATOM 422 C ARG 27 -17.764 24.168 5.020 1.00 51.34 ATOM 423 O ARG 27 -16.851 23.432 4.649 1.00 25.34 ATOM 424 N ALA 28 -17.555 25.317 5.655 1.00 73.03 ATOM 425 HN ALA 28 -18.321 25.878 5.912 1.00 38.48 ATOM 426 CA ALA 28 -16.210 25.787 5.961 1.00 20.34 ATOM 427 HA ALA 28 -15.616 25.738 5.056 1.00 71.24 ATOM 428 CB ALA 28 -16.248 27.239 6.414 1.00 73.22 ATOM 429 HB1 ALA 28 -15.241 27.603 6.562 1.00 61.22 ATOM 430 HB2 ALA 28 -16.805 27.325 7.336 1.00 13.20 ATOM 431 HB3 ALA 28 -16.730 27.820 5.651 1.00 44.44 ATOM 432 C ALA 28 -15.554 24.916 7.027 1.00 31.44 ATOM 433 O ALA 28 -14.518 24.295 6.785 1.00 20.15 ATOM 434 N LEU 29 -16.163 24.874 8.207 1.00 3.04 ATOM 435 HN LEU 29 -16.972 25.418 8.340 1.00 38.48 ATOM 436 CA LEU 29 -15.637 24.079 9.312 1.00 72.22 ATOM 437 HA LEU 29 -14.654 24.456 9.559 1.00 13.14 ATOM 438 CB LEU 29 -16.541 24.214 10.539 1.00 43.03 ATOM 439 HB1 LEU 29 -16.325 25.177 10.982 1.00 38.48 ATOM 440 HB2 LEU 29 -16.251 23.456 11.262 1.00 20.31 ATOM 441 CG LEU 29 -18.045 24.120 10.278 1.00 4.34 ATOM 442 HG LEU 29 -18.235 23.982 9.230 1.00 5.31 ATOM 443 CD1 LEU 29 -18.637 22.919 10.999 1.00 71.05 ATOM 444 HD11 LEU 29 -19.696 22.854 10.788 1.00 14.32 ATOM 445 HD12 LEU 29 -18.490 23.024 12.065 1.00 71.23 ATOM 446 HD13 LEU 29 -18.151 22.016 10.657 1.00 45.14 ATOM 447 CD2 LEU 29 -18.742 25.402 10.712 1.00 62.41 ATOM 448 HD21 LEU 29 -18.597 25.550 11.774 1.00 51.22 ATOM 449 HD22 LEU 29 -19.798 25.341 10.505 1.00 62.14 ATOM 450 HD23 LEU 29 -18.322 26.242 10.179 1.00 63.20 ATOM 451 C LEU 29 -15.514 22.611 8.916 1.00 75.03 ATOM 452 O LEU 29 -14.700 21.874 9.470 1.00 3.35 ATOM 453 N ALA 30 -16.328 22.194 7.951 1.00 30.43 ATOM 454 HN ALA 30 -16.999 22.805 7.573 1.00 38.48 ATOM 455 CA ALA 30 -16.308 20.815 7.478 1.00 45.22 ATOM 456 HA ALA 30 -16.408 20.159 8.334 1.00 34.02 ATOM 457 CB ALA 30 -17.488 20.557 6.553 1.00 10.13 ATOM 458 HB1 ALA 30 -18.398 20.543 7.132 1.00 71.35 ATOM 459 HB2 ALA 30 -17.370 19.601 6.058 1.00 31.43 ATOM 460 HB3 ALA 30 -17.545 21.341 5.813 1.00 64.11 ATOM 461 C ALA 30 -14.997 20.499 6.766 1.00 24.41 ATOM 462 O ALA 30 -14.454 19.403 6.904 1.00 61.34 ATOM 463 N MET 31 -14.494 21.465 6.005 1.00 64.12 ATOM 464 HN MET 31 -14.967 22.326 5.926 1.00 38.48 ATOM 465 CA MET 31 -13.245 21.288 5.272 1.00 54.22 ATOM 466 HA MET 31 -13.045 20.232 5.161 1.00 0.02 ATOM 467 CB MET 31 -13.352 21.918 3.882 1.00 42.23 ATOM 468 HB1 MET 31 -12.401 21.823 3.371 1.00 38.48 ATOM 469 HB2 MET 31 -13.584 22.968 3.994 1.00 64.22 ATOM 470 CG MET 31 -14.428 21.290 3.011 1.00 42.43 ATOM 471 HG1 MET 31 -14.487 21.842 2.090 1.00 38.48 ATOM 472 HG2 MET 31 -15.376 21.341 3.524 1.00 52.20 ATOM 473 SD MET 31 -14.077 19.569 2.606 1.00 63.13 ATOM 474 CE MET 31 -12.793 19.766 1.372 1.00 54.31 ATOM 475 HE1 MET 31 -12.617 18.820 0.882 1.00 73.03 ATOM 476 HE2 MET 31 -11.885 20.096 1.851 1.00 13.04 ATOM 477 HE3 MET 31 -13.103 20.499 0.642 1.00 34.50 ATOM 478 C MET 31 -12.076 21.903 6.033 1.00 2.45 ATOM 479 O MET 31 -10.959 21.979 5.521 1.00 2.41 ATOM 480 N LYS 32 -12.339 22.342 7.260 1.00 73.12 ATOM 481 HN LYS 32 -13.228 22.269 7.635 1.00 38.48 ATOM 482 CA LYS 32 -11.309 22.950 8.093 1.00 20.13 ATOM 483 HA LYS 32 -11.791 23.366 8.965 1.00 34.24 ATOM 484 CB LYS 32 -10.296 21.893 8.540 1.00 42.44 ATOM 485 HB1 LYS 32 -9.630 22.344 9.265 1.00 38.48 ATOM 486 HB2 LYS 32 -9.719 21.573 7.681 1.00 32.11 ATOM 487 CG LYS 32 -10.934 20.662 9.159 1.00 1.24 ATOM 488 HG1 LYS 32 -11.309 20.025 8.370 1.00 38.48 ATOM 489 HG2 LYS 32 -11.755 20.966 9.796 1.00 34.54 ATOM 490 CD LYS 32 -9.938 19.882 10.001 1.00 60.44 ATOM 491 HD1 LYS 32 -10.459 19.077 10.498 1.00 38.48 ATOM 492 HD2 LYS 32 -9.502 20.539 10.741 1.00 41.01 ATOM 493 CE LYS 32 -8.826 19.293 9.145 1.00 13.33 ATOM 494 HE1 LYS 32 -8.412 20.056 8.502 1.00 38.48 ATOM 495 HE2 LYS 32 -9.238 18.502 8.538 1.00 1.41 ATOM 496 NZ LYS 32 -7.723 18.735 9.976 1.00 15.51 ATOM 497 HZ1 LYS 32 -7.304 19.481 10.570 1.00 74.24 ATOM 498 HZ2 LYS 32 -6.981 18.342 9.363 1.00 4.34 ATOM 499 HZ3 LYS 32 -8.082 17.976 10.592 1.00 11.30 ATOM 500 C LYS 32 -10.594 24.070 7.345 1.00 55.44 ATOM 501 O LYS 32 -9.409 23.962 7.031 1.00 63.12 ATOM 502 N ILE 33 -11.323 25.146 7.063 1.00 65.41 ATOM 503 HN ILE 33 -12.267 25.181 7.350 1.00 38.48 ATOM 504 CA ILE 33 -10.757 26.286 6.354 1.00 44.44 ATOM 505 HA ILE 33 -10.077 25.892 5.617 1.00 14.23 ATOM 506 CB ILE 33 -11.847 27.092 5.623 1.00 42.22 ATOM 507 HB ILE 33 -12.529 27.494 6.360 1.00 25.41 ATOM 508 CG1 ILE 33 -12.628 26.187 4.668 1.00 25.52 ATOM 509 HG11 ILE 33 -13.383 26.771 4.158 1.00 38.48 ATOM 510 HG12 ILE 33 -13.111 25.408 5.231 1.00 42.13 ATOM 511 CG2 ILE 33 -11.227 28.258 4.867 1.00 2.13 ATOM 512 HG21 ILE 33 -10.560 27.903 4.104 1.00 24.20 ATOM 513 HG22 ILE 33 -10.691 28.884 5.537 1.00 73.41 ATOM 514 HG23 ILE 33 -12.013 28.837 4.403 1.00 62.44 ATOM 515 CD1 ILE 33 -11.762 25.527 3.617 1.00 1.14 ATOM 516 HD11 ILE 33 -10.765 25.939 3.601 1.00 23.42 ATOM 517 HD12 ILE 33 -12.214 25.669 2.647 1.00 64.24 ATOM 518 HD13 ILE 33 -11.703 24.468 3.824 1.00 32.12 ATOM 519 C ILE 33 -10.010 27.212 7.308 1.00 21.12 ATOM 520 O ILE 33 -10.503 27.570 8.378 1.00 51.11 ATOM 521 N PRO 34 -8.792 27.611 6.913 1.00 3.05 ATOM 522 CA PRO 34 -7.951 28.502 7.718 1.00 14.55 ATOM 523 HA PRO 34 -7.820 28.125 8.722 1.00 4.22 ATOM 524 CB PRO 34 -6.608 28.483 6.984 1.00 34.44 ATOM 525 HB1 PRO 34 -5.974 27.727 7.422 1.00 38.48 ATOM 526 HB2 PRO 34 -6.117 29.447 7.050 1.00 13.11 ATOM 527 CG PRO 34 -6.952 28.140 5.576 1.00 44.12 ATOM 528 HG1 PRO 34 -6.121 27.633 5.110 1.00 38.48 ATOM 529 HG2 PRO 34 -7.193 29.025 5.037 1.00 71.15 ATOM 530 CD PRO 34 -8.141 27.223 5.651 1.00 51.24 ATOM 531 HD1 PRO 34 -7.817 26.193 5.687 1.00 38.48 ATOM 532 HD2 PRO 34 -8.772 27.384 4.805 1.00 73.42 ATOM 533 C PRO 34 -8.504 29.922 7.779 1.00 14.21 ATOM 534 O PRO 34 -8.479 30.565 8.829 1.00 34.42 ATOM 535 N PHE 35 -9.004 30.407 6.647 1.00 61.41 ATOM 536 HN PHE 35 -9.027 29.840 5.861 1.00 38.48 ATOM 537 CA PHE 35 -9.563 31.751 6.572 1.00 41.45 ATOM 538 HA PHE 35 -9.155 32.331 7.390 1.00 22.44 ATOM 539 CB PHE 35 -9.155 32.423 5.259 1.00 55.15 ATOM 540 HB1 PHE 35 -8.098 32.652 5.305 1.00 38.48 ATOM 541 HB2 PHE 35 -9.700 33.349 5.133 1.00 24.22 ATOM 542 CG PHE 35 -9.399 31.569 4.047 1.00 34.03 ATOM 543 CD1 PHE 35 -8.391 30.772 3.531 1.00 63.22 ATOM 544 HD1 PHE 35 -7.419 30.774 4.000 1.00 41.24 ATOM 545 CD2 PHE 35 -10.637 31.564 3.425 1.00 73.21 ATOM 546 HD2 PHE 35 -11.433 32.180 3.815 1.00 32.42 ATOM 547 CE1 PHE 35 -8.612 29.984 2.417 1.00 41.44 ATOM 548 HE1 PHE 35 -7.817 29.368 2.026 1.00 15.22 ATOM 549 CE2 PHE 35 -10.864 30.778 2.311 1.00 55.12 ATOM 550 HE2 PHE 35 -11.818 30.782 1.832 1.00 15.34 ATOM 551 CZ PHE 35 -9.850 29.988 1.805 1.00 12.42 ATOM 552 HZ PHE 35 -10.025 29.374 0.935 1.00 34.41 ATOM 553 C PHE 35 -11.084 31.715 6.687 1.00 50.22 ATOM 554 O PHE 35 -11.731 30.710 6.390 1.00 3.42 ATOM 555 N PRO 36 -11.670 32.838 7.129 1.00 72.22 ATOM 556 CA PRO 36 -13.122 32.961 7.294 1.00 65.21 ATOM 557 HA PRO 36 -13.517 32.165 7.911 1.00 43.13 ATOM 558 CB PRO 36 -13.284 34.299 8.019 1.00 21.02 ATOM 559 HB1 PRO 36 -13.323 34.125 9.084 1.00 38.48 ATOM 560 HB2 PRO 36 -14.190 34.802 7.704 1.00 73.10 ATOM 561 CG PRO 36 -12.069 35.079 7.651 1.00 12.13 ATOM 562 HG1 PRO 36 -11.832 35.784 8.434 1.00 38.48 ATOM 563 HG2 PRO 36 -12.236 35.588 6.727 1.00 31.42 ATOM 564 CD PRO 36 -10.961 34.074 7.501 1.00 72.41 ATOM 565 HD1 PRO 36 -10.437 33.950 8.437 1.00 38.48 ATOM 566 HD2 PRO 36 -10.284 34.393 6.732 1.00 4.22 ATOM 567 C PRO 36 -13.857 32.986 5.958 1.00 1.13 ATOM 568 O PRO 36 -13.286 33.349 4.929 1.00 3.45 ATOM 569 N THR 37 -15.128 32.598 5.980 1.00 14.44 ATOM 570 HN THR 37 -15.539 32.356 6.843 1.00 38.48 ATOM 571 CA THR 37 -15.942 32.576 4.771 1.00 3.13 ATOM 572 HA THR 37 -15.372 32.106 3.987 1.00 54.31 ATOM 573 CB THR 37 -17.231 31.759 4.977 1.00 72.14 ATOM 574 HB THR 37 -17.701 31.609 4.015 1.00 34.24 ATOM 575 OG1 THR 37 -18.131 32.471 5.833 1.00 31.33 ATOM 576 HG1 THR 37 -19.033 32.188 5.661 1.00 13.12 ATOM 577 CG2 THR 37 -16.919 30.398 5.580 1.00 61.43 ATOM 578 HG21 THR 37 -17.820 29.803 5.598 1.00 14.42 ATOM 579 HG22 THR 37 -16.555 30.519 6.588 1.00 60.14 ATOM 580 HG23 THR 37 -16.171 29.894 4.983 1.00 60.41 ATOM 581 C THR 37 -16.313 33.988 4.332 1.00 21.22 ATOM 582 O THR 37 -16.326 34.294 3.140 1.00 73.13 ATOM 583 N ASP 38 -16.613 34.844 5.302 1.00 2.42 ATOM 584 HN ASP 38 -16.573 34.537 6.235 1.00 38.48 ATOM 585 CA ASP 38 -16.983 36.226 5.015 1.00 24.44 ATOM 586 HA ASP 38 -17.911 36.215 4.462 1.00 25.32 ATOM 587 CB ASP 38 -17.192 37.001 6.317 1.00 24.22 ATOM 588 HB1 ASP 38 -17.699 37.929 6.098 1.00 38.48 ATOM 589 HB2 ASP 38 -16.233 37.218 6.770 1.00 24.33 ATOM 590 CG ASP 38 -18.022 36.229 7.324 1.00 52.14 ATOM 591 OD1 ASP 38 -17.429 35.607 8.230 1.00 41.55 ATOM 592 OD2 ASP 38 -19.265 36.246 7.205 1.00 55.10 ATOM 593 C ASP 38 -15.914 36.909 4.168 1.00 55.24 ATOM 594 O ASP 38 -16.222 37.745 3.317 1.00 21.22 ATOM 595 N LYS 39 -14.658 36.550 4.406 1.00 63.44 ATOM 596 HN LYS 39 -14.464 35.888 5.110 1.00 38.48 ATOM 597 CA LYS 39 -13.543 37.127 3.665 1.00 43.33 ATOM 598 HA LYS 39 -13.639 38.201 3.686 1.00 62.04 ATOM 599 CB LYS 39 -12.215 36.749 4.324 1.00 24.04 ATOM 600 HB1 LYS 39 -12.114 35.673 4.331 1.00 38.48 ATOM 601 HB2 LYS 39 -12.240 37.108 5.343 1.00 32.22 ATOM 602 CG LYS 39 -11.001 37.344 3.632 1.00 5.25 ATOM 603 HG1 LYS 39 -11.234 38.343 3.299 1.00 38.48 ATOM 604 HG2 LYS 39 -10.771 36.723 2.784 1.00 14.25 ATOM 605 CD LYS 39 -9.791 37.369 4.552 1.00 11.10 ATOM 606 HD1 LYS 39 -8.950 36.944 4.023 1.00 38.48 ATOM 607 HD2 LYS 39 -9.984 36.780 5.441 1.00 62.21 ATOM 608 CE LYS 39 -9.434 38.789 4.964 1.00 25.22 ATOM 609 HE1 LYS 39 -10.322 39.410 4.957 1.00 38.48 ATOM 610 HE2 LYS 39 -8.718 39.183 4.260 1.00 74.22 ATOM 611 NZ LYS 39 -8.839 38.837 6.329 1.00 41.23 ATOM 612 HZ1 LYS 39 -8.606 39.819 6.580 1.00 71.51 ATOM 613 HZ2 LYS 39 -7.967 38.269 6.365 1.00 14.43 ATOM 614 HZ3 LYS 39 -9.512 38.464 7.031 1.00 23.44 ATOM 615 C LYS 39 -13.553 36.659 2.213 1.00 20.31 ATOM 616 O LYS 39 -13.040 37.343 1.327 1.00 71.41 ATOM 617 N ILE 40 -14.141 35.491 1.977 1.00 22.44 ATOM 618 HN ILE 40 -14.526 34.988 2.716 1.00 38.48 ATOM 619 CA ILE 40 -14.220 34.933 0.633 1.00 44.20 ATOM 620 HA ILE 40 -13.219 34.911 0.216 1.00 45.40 ATOM 621 CB ILE 40 -14.766 33.493 0.652 1.00 52.44 ATOM 622 HB ILE 40 -15.770 33.510 1.041 1.00 4.23 ATOM 623 CG1 ILE 40 -13.897 32.606 1.545 1.00 42.12 ATOM 624 HG11 ILE 40 -13.857 33.019 2.540 1.00 38.48 ATOM 625 HG12 ILE 40 -12.896 32.563 1.141 1.00 24.13 ATOM 626 CG2 ILE 40 -14.829 32.932 -0.761 1.00 51.42 ATOM 627 HG21 ILE 40 -14.162 32.093 -0.867 1.00 1.32 ATOM 628 HG22 ILE 40 -14.568 33.666 -1.498 1.00 54.41 ATOM 629 HG23 ILE 40 -15.835 32.592 -0.949 1.00 33.44 ATOM 630 CD1 ILE 40 -14.407 31.187 1.667 1.00 11.43 ATOM 631 HD11 ILE 40 -14.345 30.688 0.722 1.00 51.25 ATOM 632 HD12 ILE 40 -15.437 31.204 1.990 1.00 50.32 ATOM 633 HD13 ILE 40 -13.820 30.653 2.397 1.00 74.54 ATOM 634 C ILE 40 -15.105 35.789 -0.266 1.00 41.51 ATOM 635 O ILE 40 -14.839 35.936 -1.459 1.00 52.32 ATOM 636 N VAL 41 -16.158 36.355 0.315 1.00 33.11 ATOM 637 HN VAL 41 -16.338 36.195 1.270 1.00 38.48 ATOM 638 CA VAL 41 -17.082 37.200 -0.432 1.00 60.24 ATOM 639 HA VAL 41 -17.007 36.956 -1.488 1.00 35.12 ATOM 640 CB VAL 41 -18.540 36.961 0.004 1.00 4.34 ATOM 641 HB VAL 41 -18.660 37.311 1.022 1.00 43.14 ATOM 642 CG1 VAL 41 -19.497 37.743 -0.882 1.00 34.13 ATOM 643 HG11 VAL 41 -19.311 37.507 -1.921 1.00 4.44 ATOM 644 HG12 VAL 41 -19.364 38.802 -0.724 1.00 23.11 ATOM 645 HG13 VAL 41 -20.518 37.480 -0.636 1.00 61.21 ATOM 646 CG2 VAL 41 -18.867 35.476 -0.023 1.00 31.05 ATOM 647 HG21 VAL 41 -18.734 35.099 -1.022 1.00 25.31 ATOM 648 HG22 VAL 41 -19.894 35.326 0.282 1.00 52.23 ATOM 649 HG23 VAL 41 -18.216 34.942 0.654 1.00 63.34 ATOM 650 C VAL 41 -16.744 38.676 -0.253 1.00 73.44 ATOM 651 O VAL 41 -17.042 39.500 -1.116 1.00 54.05 ATOM 652 N ASN 42 -16.120 39.002 0.874 1.00 63.44 ATOM 653 HN ASN 42 -15.914 38.308 1.539 1.00 38.48 ATOM 654 CA ASN 42 -15.741 40.379 1.167 1.00 41.25 ATOM 655 HA ASN 42 -16.595 41.017 0.964 1.00 21.44 ATOM 656 CB ASN 42 -15.343 40.519 2.637 1.00 33.14 ATOM 657 HB1 ASN 42 -14.632 41.330 2.747 1.00 38.48 ATOM 658 HB2 ASN 42 -14.884 39.615 2.978 1.00 30.40 ATOM 659 CG ASN 42 -16.529 40.830 3.530 1.00 53.02 ATOM 660 OD1 ASN 42 -16.460 41.708 4.390 1.00 43.33 ATOM 661 ND2 ASN 42 -17.626 40.109 3.329 1.00 60.31 ATOM 662 HD21 ASN 42 -17.642 39.415 2.644 1.00 30.31 ATOM 663 HD22 ASN 42 -18.401 40.309 3.895 1.00 2.44 ATOM 664 C ASN 42 -14.590 40.829 0.272 1.00 24.20 ATOM 665 O ASN 42 -14.636 41.906 -0.324 1.00 22.13 ATOM 666 N LEU 43 -13.558 39.997 0.182 1.00 71.40 ATOM 667 HN LEU 43 -13.575 39.149 0.687 1.00 38.48 ATOM 668 CA LEU 43 -12.394 40.307 -0.641 1.00 10.34 ATOM 669 HA LEU 43 -12.005 41.248 -0.291 1.00 52.12 ATOM 670 CB LEU 43 -11.333 39.216 -0.491 1.00 31.52 ATOM 671 HB1 LEU 43 -10.711 39.199 -1.378 1.00 38.48 ATOM 672 HB2 LEU 43 -11.842 38.266 -0.440 1.00 14.50 ATOM 673 CG LEU 43 -10.411 39.337 0.723 1.00 14.41 ATOM 674 HG LEU 43 -11.014 39.407 1.611 1.00 33.31 ATOM 675 CD1 LEU 43 -9.523 38.109 0.844 1.00 2.11 ATOM 676 HD11 LEU 43 -8.961 38.160 1.765 1.00 53.22 ATOM 677 HD12 LEU 43 -8.838 38.070 0.007 1.00 63.52 ATOM 678 HD13 LEU 43 -10.131 37.216 0.845 1.00 52.42 ATOM 679 CD2 LEU 43 -9.568 40.601 0.628 1.00 72.41 ATOM 680 HD21 LEU 43 -8.957 40.689 1.516 1.00 54.13 ATOM 681 HD22 LEU 43 -10.201 41.470 0.554 1.00 51.15 ATOM 682 HD23 LEU 43 -8.924 40.547 -0.238 1.00 22.03 ATOM 683 C LEU 43 -12.787 40.453 -2.107 1.00 62.23 ATOM 684 O LEU 43 -13.826 39.961 -2.549 1.00 3.32 ATOM 685 N PRO 44 -11.936 41.142 -2.882 1.00 54.23 ATOM 686 CA PRO 44 -12.172 41.366 -4.312 1.00 30.12 ATOM 687 HA PRO 44 -13.145 41.802 -4.490 1.00 41.31 ATOM 688 CB PRO 44 -11.081 42.368 -4.698 1.00 74.04 ATOM 689 HB1 PRO 44 -11.476 43.370 -4.624 1.00 38.48 ATOM 690 HB2 PRO 44 -10.735 42.192 -5.710 1.00 14.30 ATOM 691 CG PRO 44 -9.995 42.148 -3.703 1.00 41.12 ATOM 692 HG1 PRO 44 -9.422 43.053 -3.567 1.00 38.48 ATOM 693 HG2 PRO 44 -9.380 41.362 -4.054 1.00 13.11 ATOM 694 CD PRO 44 -10.679 41.756 -2.423 1.00 32.21 ATOM 695 HD1 PRO 44 -10.874 42.627 -1.816 1.00 38.48 ATOM 696 HD2 PRO 44 -10.074 41.064 -1.899 1.00 61.03 ATOM 697 C PRO 44 -12.034 40.086 -5.129 1.00 43.23 ATOM 698 O PRO 44 -11.648 39.041 -4.605 1.00 50.20 ATOM 699 N VAL 45 -12.350 40.175 -6.417 1.00 74.03 ATOM 700 HN VAL 45 -12.655 41.041 -6.778 1.00 38.48 ATOM 701 CA VAL 45 -12.260 39.024 -7.308 1.00 3.20 ATOM 702 HA VAL 45 -12.772 38.192 -6.836 1.00 23.35 ATOM 703 CB VAL 45 -12.940 39.307 -8.661 1.00 30.53 ATOM 704 HB VAL 45 -13.936 39.680 -8.470 1.00 44.12 ATOM 705 CG1 VAL 45 -12.174 40.370 -9.432 1.00 51.41 ATOM 706 HG11 VAL 45 -12.757 40.668 -10.291 1.00 0.32 ATOM 707 HG12 VAL 45 -11.224 39.980 -9.771 1.00 42.44 ATOM 708 HG13 VAL 45 -12.004 41.234 -8.806 1.00 12.31 ATOM 709 CG2 VAL 45 -13.058 38.027 -9.475 1.00 24.22 ATOM 710 HG21 VAL 45 -13.632 37.315 -8.925 1.00 1.20 ATOM 711 HG22 VAL 45 -12.081 37.622 -9.688 1.00 24.11 ATOM 712 HG23 VAL 45 -13.563 38.241 -10.407 1.00 2.34 ATOM 713 C VAL 45 -10.807 38.633 -7.554 1.00 60.20 ATOM 714 O VAL 45 -10.506 37.475 -7.846 1.00 51.32 ATOM 715 N ASP 46 -9.910 39.605 -7.434 1.00 3.05 ATOM 716 HN ASP 46 -10.202 40.518 -7.207 1.00 38.48 ATOM 717 CA ASP 46 -8.487 39.362 -7.641 1.00 42.33 ATOM 718 HA ASP 46 -8.381 38.700 -8.495 1.00 1.42 ATOM 719 CB ASP 46 -7.761 40.677 -7.932 1.00 24.43 ATOM 720 HB1 ASP 46 -7.448 41.155 -7.014 1.00 38.48 ATOM 721 HB2 ASP 46 -8.437 41.343 -8.453 1.00 23.12 ATOM 722 CG ASP 46 -6.539 40.482 -8.808 1.00 23.42 ATOM 723 OD1 ASP 46 -6.437 41.169 -9.845 1.00 10.31 ATOM 724 OD2 ASP 46 -5.685 39.641 -8.457 1.00 24.43 ATOM 725 C ASP 46 -7.868 38.683 -6.424 1.00 0.15 ATOM 726 O ASP 46 -7.372 37.560 -6.512 1.00 72.30 ATOM 727 N ASP 47 -7.900 39.372 -5.288 1.00 44.54 ATOM 728 HN ASP 47 -8.318 40.259 -5.283 1.00 38.48 ATOM 729 CA ASP 47 -7.342 38.836 -4.052 1.00 42.13 ATOM 730 HA ASP 47 -6.273 38.742 -4.182 1.00 32.31 ATOM 731 CB ASP 47 -7.619 39.788 -2.887 1.00 74.44 ATOM 732 HB1 ASP 47 -7.196 39.374 -1.981 1.00 38.48 ATOM 733 HB2 ASP 47 -8.678 39.891 -2.762 1.00 14.54 ATOM 734 CG ASP 47 -7.012 41.160 -3.104 1.00 33.15 ATOM 735 OD1 ASP 47 -7.375 42.094 -2.357 1.00 61.44 ATOM 736 OD2 ASP 47 -6.174 41.300 -4.018 1.00 70.02 ATOM 737 C ASP 47 -7.920 37.458 -3.748 1.00 73.44 ATOM 738 O ASP 47 -7.249 36.606 -3.165 1.00 11.10 ATOM 739 N PHE 48 -9.170 37.245 -4.147 1.00 11.13 ATOM 740 HN PHE 48 -9.678 37.970 -4.577 1.00 38.48 ATOM 741 CA PHE 48 -9.840 35.971 -3.915 1.00 70.31 ATOM 742 HA PHE 48 -9.767 35.736 -2.861 1.00 54.25 ATOM 743 CB PHE 48 -11.319 36.072 -4.294 1.00 30.40 ATOM 744 HB1 PHE 48 -11.397 36.498 -5.286 1.00 38.48 ATOM 745 HB2 PHE 48 -11.815 36.725 -3.590 1.00 62.45 ATOM 746 CG PHE 48 -12.034 34.751 -4.275 1.00 33.15 ATOM 747 CD1 PHE 48 -12.723 34.305 -5.391 1.00 34.12 ATOM 748 HD1 PHE 48 -12.740 34.913 -6.281 1.00 15.41 ATOM 749 CD2 PHE 48 -12.017 33.955 -3.140 1.00 40.34 ATOM 750 HD2 PHE 48 -11.484 34.290 -2.260 1.00 33.43 ATOM 751 CE1 PHE 48 -13.383 33.090 -5.375 1.00 50.51 ATOM 752 HE1 PHE 48 -13.917 32.754 -6.251 1.00 31.23 ATOM 753 CE2 PHE 48 -12.674 32.740 -3.119 1.00 34.30 ATOM 754 HE2 PHE 48 -12.644 32.144 -2.236 1.00 52.34 ATOM 755 CZ PHE 48 -13.357 32.306 -4.238 1.00 54.33 ATOM 756 HZ PHE 48 -13.872 31.357 -4.223 1.00 13.34 ATOM 757 C PHE 48 -9.174 34.853 -4.713 1.00 11.32 ATOM 758 O PHE 48 -8.800 33.820 -4.160 1.00 74.32 ATOM 759 N ASN 49 -9.030 35.070 -6.016 1.00 71.22 ATOM 760 HN ASN 49 -9.351 35.921 -6.401 1.00 38.48 ATOM 761 CA ASN 49 -8.411 34.081 -6.891 1.00 45.13 ATOM 762 HA ASN 49 -9.017 33.184 -6.866 1.00 14.34 ATOM 763 CB ASN 49 -8.347 34.608 -8.326 1.00 53.03 ATOM 764 HB1 ASN 49 -7.683 33.985 -8.914 1.00 38.48 ATOM 765 HB2 ASN 49 -7.962 35.618 -8.313 1.00 51.43 ATOM 766 CG ASN 49 -9.705 34.611 -9.001 1.00 53.34 ATOM 767 OD1 ASN 49 -10.524 33.719 -8.779 1.00 24.21 ATOM 768 ND2 ASN 49 -9.951 35.618 -9.832 1.00 4.23 ATOM 769 HD21 ASN 49 -9.259 36.304 -9.972 1.00 3.24 ATOM 770 HD22 ASN 49 -10.823 35.638 -10.278 1.00 40.32 ATOM 771 C ASN 49 -7.008 33.727 -6.405 1.00 53.33 ATOM 772 O ASN 49 -6.544 32.602 -6.587 1.00 0.35 ATOM 773 N GLU 50 -6.340 34.696 -5.787 1.00 11.00 ATOM 774 HN GLU 50 -6.746 35.587 -5.683 1.00 38.48 ATOM 775 CA GLU 50 -4.991 34.486 -5.275 1.00 41.13 ATOM 776 HA GLU 50 -4.469 33.805 -5.939 1.00 24.25 ATOM 777 CB GLU 50 -4.225 35.810 -5.234 1.00 14.32 ATOM 778 HB1 GLU 50 -3.285 35.654 -4.715 1.00 38.48 ATOM 779 HB2 GLU 50 -4.812 36.532 -4.685 1.00 70.42 ATOM 780 CG GLU 50 -3.929 36.385 -6.609 1.00 3.13 ATOM 781 HG1 GLU 50 -4.786 36.955 -6.936 1.00 38.48 ATOM 782 HG2 GLU 50 -3.748 35.577 -7.307 1.00 71.33 ATOM 783 CD GLU 50 -2.716 37.296 -6.611 1.00 71.40 ATOM 784 OE1 GLU 50 -1.656 36.869 -7.114 1.00 24.20 ATOM 785 OE2 GLU 50 -2.827 38.434 -6.110 1.00 72.01 ATOM 786 C GLU 50 -5.028 33.864 -3.882 1.00 60.45 ATOM 787 O GLU 50 -4.087 33.186 -3.468 1.00 21.34 ATOM 788 N LEU 51 -6.121 34.099 -3.165 1.00 22.02 ATOM 789 HN LEU 51 -6.824 34.676 -3.525 1.00 38.48 ATOM 790 CA LEU 51 -6.282 33.562 -1.818 1.00 2.51 ATOM 791 HA LEU 51 -5.424 33.854 -1.233 1.00 12.44 ATOM 792 CB LEU 51 -7.535 34.145 -1.162 1.00 74.53 ATOM 793 HB1 LEU 51 -8.377 33.901 -1.794 1.00 38.48 ATOM 794 HB2 LEU 51 -7.434 35.222 -1.142 1.00 61.13 ATOM 795 CG LEU 51 -7.841 33.656 0.254 1.00 24.11 ATOM 796 HG LEU 51 -7.726 32.587 0.310 1.00 23.31 ATOM 797 CD1 LEU 51 -6.877 34.278 1.253 1.00 40.23 ATOM 798 HD11 LEU 51 -7.091 33.904 2.245 1.00 60.03 ATOM 799 HD12 LEU 51 -6.985 35.354 1.244 1.00 33.02 ATOM 800 HD13 LEU 51 -5.862 34.018 0.987 1.00 22.00 ATOM 801 CD2 LEU 51 -9.280 33.975 0.630 1.00 73.23 ATOM 802 HD21 LEU 51 -9.951 33.502 -0.074 1.00 71.51 ATOM 803 HD22 LEU 51 -9.435 35.045 0.609 1.00 43.21 ATOM 804 HD23 LEU 51 -9.487 33.602 1.624 1.00 40.54 ATOM 805 C LEU 51 -6.369 32.040 -1.845 1.00 23.20 ATOM 806 O LEU 51 -6.041 31.371 -0.864 1.00 23.00 ATOM 807 N LEU 52 -6.810 31.498 -2.975 1.00 32.25 ATOM 808 HN LEU 52 -7.082 32.075 -3.724 1.00 38.48 ATOM 809 CA LEU 52 -6.938 30.053 -3.131 1.00 50.00 ATOM 810 HA LEU 52 -7.453 29.675 -2.269 1.00 44.04 ATOM 811 CB LEU 52 -7.758 29.726 -4.381 1.00 4.15 ATOM 812 HB1 LEU 52 -7.698 28.667 -4.561 1.00 38.48 ATOM 813 HB2 LEU 52 -7.294 30.236 -5.216 1.00 44.11 ATOM 814 CG LEU 52 -9.235 30.119 -4.336 1.00 44.43 ATOM 815 HG LEU 52 -9.317 31.152 -4.028 1.00 35.42 ATOM 816 CD1 LEU 52 -9.863 29.991 -5.715 1.00 62.13 ATOM 817 HD11 LEU 52 -9.804 28.964 -6.050 1.00 63.40 ATOM 818 HD12 LEU 52 -9.336 30.627 -6.413 1.00 34.55 ATOM 819 HD13 LEU 52 -10.900 30.295 -5.671 1.00 2.02 ATOM 820 CD2 LEU 52 -9.984 29.264 -3.325 1.00 51.20 ATOM 821 HD21 LEU 52 -9.795 28.216 -3.516 1.00 24.32 ATOM 822 HD22 LEU 52 -11.037 29.455 -3.419 1.00 30.51 ATOM 823 HD23 LEU 52 -9.657 29.515 -2.328 1.00 61.03 ATOM 824 C LEU 52 -5.566 29.392 -3.221 1.00 75.32 ATOM 825 O LEU 52 -5.337 28.333 -2.638 1.00 35.25 ATOM 826 N ALA 53 -4.657 30.025 -3.955 1.00 31.20 ATOM 827 HN ALA 53 -4.893 30.872 -4.403 1.00 38.48 ATOM 828 CA ALA 53 -3.307 29.500 -4.118 1.00 1.21 ATOM 829 HA ALA 53 -3.352 28.416 -4.123 1.00 1.24 ATOM 830 CB ALA 53 -2.726 29.942 -5.453 1.00 14.40 ATOM 831 HB1 ALA 53 -3.378 29.619 -6.251 1.00 54.03 ATOM 832 HB2 ALA 53 -1.749 29.501 -5.589 1.00 32.32 ATOM 833 HB3 ALA 53 -2.641 31.020 -5.475 1.00 13.22 ATOM 834 C ALA 53 -2.403 29.945 -2.973 1.00 34.43 ATOM 835 O ALA 53 -1.405 29.291 -2.668 1.00 14.54 ATOM 836 N ARG 54 -2.759 31.060 -2.343 1.00 32.51 ATOM 837 HN ARG 54 -3.558 31.554 -2.636 1.00 38.48 ATOM 838 CA ARG 54 -1.979 31.592 -1.232 1.00 62.05 ATOM 839 HA ARG 54 -0.951 31.696 -1.560 1.00 33.30 ATOM 840 CB ARG 54 -2.517 32.962 -0.814 1.00 25.41 ATOM 841 HB1 ARG 54 -2.326 33.117 0.243 1.00 38.48 ATOM 842 HB2 ARG 54 -3.581 32.985 -0.977 1.00 23.14 ATOM 843 CG ARG 54 -1.888 34.120 -1.571 1.00 3.02 ATOM 844 HG1 ARG 54 -2.086 34.012 -2.623 1.00 38.48 ATOM 845 HG2 ARG 54 -0.821 34.102 -1.407 1.00 13.13 ATOM 846 CD ARG 54 -2.433 35.458 -1.095 1.00 61.43 ATOM 847 HD1 ARG 54 -2.429 35.489 -0.012 1.00 38.48 ATOM 848 HD2 ARG 54 -3.450 35.553 -1.446 1.00 11.13 ATOM 849 NE ARG 54 -1.657 36.581 -1.614 1.00 63.31 ATOM 850 HE ARG 54 -2.054 37.103 -2.345 1.00 72.43 ATOM 851 CZ ARG 54 -0.460 36.923 -1.151 1.00 2.11 ATOM 852 NH1 ARG 54 0.095 36.233 -0.165 1.00 24.45 ATOM 853 HH11 ARG 54 -0.361 35.452 0.252 1.00 34.25 ATOM 854 HH12 ARG 54 1.000 36.500 0.174 1.00 64.24 ATOM 855 NH2 ARG 54 0.185 37.958 -1.675 1.00 34.11 ATOM 856 HH21 ARG 54 -0.229 38.484 -2.421 1.00 23.32 ATOM 857 HH22 ARG 54 1.088 38.218 -1.327 1.00 21.14 ATOM 858 C ARG 54 -2.006 30.638 -0.042 1.00 63.41 ATOM 859 O ARG 54 -1.007 30.476 0.660 1.00 51.22 ATOM 860 N TYR 55 -3.155 30.009 0.179 1.00 25.41 ATOM 861 HN TYR 55 -3.927 30.172 -0.411 1.00 38.48 ATOM 862 CA TYR 55 -3.313 29.073 1.286 1.00 64.30 ATOM 863 HA TYR 55 -2.508 29.244 1.991 1.00 52.14 ATOM 864 CB TYR 55 -4.646 29.312 1.997 1.00 63.41 ATOM 865 HB1 TYR 55 -4.930 28.433 2.562 1.00 38.48 ATOM 866 HB2 TYR 55 -5.409 29.498 1.252 1.00 1.20 ATOM 867 CG TYR 55 -4.627 30.495 2.938 1.00 25.21 ATOM 868 CD1 TYR 55 -4.641 30.312 4.315 1.00 31.15 ATOM 869 HD1 TYR 55 -4.660 29.309 4.714 1.00 23.13 ATOM 870 CD2 TYR 55 -4.595 31.795 2.450 1.00 1.34 ATOM 871 HD2 TYR 55 -4.584 31.959 1.381 1.00 64.52 ATOM 872 CE1 TYR 55 -4.624 31.390 5.179 1.00 33.24 ATOM 873 HE1 TYR 55 -4.635 31.227 6.247 1.00 22.32 ATOM 874 CE2 TYR 55 -4.576 32.879 3.307 1.00 54.12 ATOM 875 HE2 TYR 55 -4.550 33.882 2.908 1.00 32.44 ATOM 876 CZ TYR 55 -4.591 32.671 4.670 1.00 15.33 ATOM 877 OH TYR 55 -4.575 33.748 5.527 1.00 44.33 ATOM 878 HH TYR 55 -5.432 34.184 5.520 1.00 33.31 ATOM 879 C TYR 55 -3.237 27.630 0.795 1.00 43.32 ATOM 880 O TYR 55 -3.464 27.334 -0.378 1.00 63.04 ATOM 881 N PRO 56 -2.910 26.710 1.714 1.00 20.12 ATOM 882 CA PRO 56 -2.797 25.282 1.400 1.00 14.50 ATOM 883 HA PRO 56 -2.129 25.110 0.568 1.00 22.31 ATOM 884 CB PRO 56 -2.195 24.685 2.674 1.00 11.23 ATOM 885 HB1 PRO 56 -1.121 24.652 2.573 1.00 38.48 ATOM 886 HB2 PRO 56 -2.565 23.684 2.855 1.00 22.31 ATOM 887 CG PRO 56 -2.594 25.625 3.759 1.00 54.53 ATOM 888 HG1 PRO 56 -1.866 25.596 4.556 1.00 38.48 ATOM 889 HG2 PRO 56 -3.572 25.361 4.133 1.00 30.41 ATOM 890 CD PRO 56 -2.626 26.992 3.131 1.00 21.33 ATOM 891 HD1 PRO 56 -1.668 27.479 3.243 1.00 38.48 ATOM 892 HD2 PRO 56 -3.400 27.580 3.586 1.00 13.52 ATOM 893 C PRO 56 -4.151 24.646 1.101 1.00 5.14 ATOM 894 O PRO 56 -4.728 23.965 1.949 1.00 33.53 ATOM 895 N LEU 57 -4.651 24.872 -0.108 1.00 71.12 ATOM 896 HN LEU 57 -4.145 25.420 -0.752 1.00 38.48 ATOM 897 CA LEU 57 -5.937 24.320 -0.519 1.00 73.33 ATOM 898 HA LEU 57 -6.391 23.825 0.322 1.00 24.45 ATOM 899 CB LEU 57 -6.873 25.440 -0.978 1.00 25.03 ATOM 900 HB1 LEU 57 -7.862 25.022 -1.107 1.00 38.48 ATOM 901 HB2 LEU 57 -6.521 25.803 -1.931 1.00 75.32 ATOM 902 CG LEU 57 -6.972 26.652 -0.051 1.00 54.21 ATOM 903 HG LEU 57 -6.016 27.154 -0.023 1.00 44.34 ATOM 904 CD1 LEU 57 -8.005 27.639 -0.573 1.00 13.13 ATOM 905 HD11 LEU 57 -7.965 28.547 0.007 1.00 42.23 ATOM 906 HD12 LEU 57 -8.990 27.205 -0.497 1.00 32.34 ATOM 907 HD13 LEU 57 -7.799 27.863 -1.606 1.00 21.31 ATOM 908 CD2 LEU 57 -7.318 26.214 1.365 1.00 41.23 ATOM 909 HD21 LEU 57 -6.562 25.560 1.753 1.00 75.51 ATOM 910 HD22 LEU 57 -8.269 25.701 1.364 1.00 53.41 ATOM 911 HD23 LEU 57 -7.389 27.086 2.002 1.00 64.41 ATOM 912 C LEU 57 -5.759 23.300 -1.640 1.00 10.13 ATOM 913 O LEU 57 -5.008 23.528 -2.589 1.00 1.44 ATOM 914 N THR 58 -6.457 22.174 -1.525 1.00 5.11 ATOM 915 HN THR 58 -7.025 22.031 -0.736 1.00 38.48 ATOM 916 CA THR 58 -6.376 21.120 -2.528 1.00 35.21 ATOM 917 HA THR 58 -5.460 21.238 -3.099 1.00 51.01 ATOM 918 CB THR 58 -6.354 19.725 -1.876 1.00 21.52 ATOM 919 HB THR 58 -6.507 18.967 -2.634 1.00 74.05 ATOM 920 OG1 THR 58 -7.399 19.622 -0.902 1.00 24.01 ATOM 921 HG1 THR 58 -7.637 18.699 -0.779 1.00 42.51 ATOM 922 CG2 THR 58 -5.010 19.458 -1.215 1.00 62.43 ATOM 923 HG21 THR 58 -4.225 19.505 -1.956 1.00 21.40 ATOM 924 HG22 THR 58 -5.020 18.476 -0.767 1.00 1.52 ATOM 925 HG23 THR 58 -4.828 20.199 -0.450 1.00 71.01 ATOM 926 C THR 58 -7.549 21.195 -3.500 1.00 4.24 ATOM 927 O THR 58 -8.466 21.995 -3.318 1.00 43.43 ATOM 928 N GLU 59 -7.512 20.356 -4.530 1.00 40.43 ATOM 929 HN GLU 59 -6.743 19.746 -4.629 1.00 38.48 ATOM 930 CA GLU 59 -8.573 20.330 -5.531 1.00 23.55 ATOM 931 HA GLU 59 -8.547 21.270 -6.067 1.00 21.32 ATOM 932 CB GLU 59 -8.351 19.175 -6.510 1.00 51.32 ATOM 933 HB1 GLU 59 -9.308 18.813 -6.869 1.00 38.48 ATOM 934 HB2 GLU 59 -7.848 18.367 -5.995 1.00 60.51 ATOM 935 CG GLU 59 -7.520 19.558 -7.723 1.00 60.43 ATOM 936 HG1 GLU 59 -6.566 19.938 -7.386 1.00 38.48 ATOM 937 HG2 GLU 59 -8.040 20.330 -8.270 1.00 61.05 ATOM 938 CD GLU 59 -7.273 18.386 -8.654 1.00 5.12 ATOM 939 OE1 GLU 59 -7.022 17.271 -8.149 1.00 40.43 ATOM 940 OE2 GLU 59 -7.329 18.584 -9.885 1.00 70.44 ATOM 941 C GLU 59 -9.941 20.194 -4.869 1.00 31.12 ATOM 942 O GLU 59 -10.946 20.677 -5.391 1.00 63.44 ATOM 943 N SER 60 -9.972 19.533 -3.716 1.00 65.00 ATOM 944 HN SER 60 -9.150 19.128 -3.357 1.00 38.48 ATOM 945 CA SER 60 -11.216 19.329 -2.984 1.00 53.33 ATOM 946 HA SER 60 -11.998 19.088 -3.694 1.00 22.21 ATOM 947 CB SER 60 -11.072 18.163 -2.005 1.00 71.54 ATOM 948 HB1 SER 60 -11.906 18.157 -1.313 1.00 38.48 ATOM 949 HB2 SER 60 -10.150 18.269 -1.452 1.00 53.13 ATOM 950 OG SER 60 -11.053 16.922 -2.690 1.00 21.11 ATOM 951 HG SER 60 -10.175 16.763 -3.047 1.00 44.35 ATOM 952 C SER 60 -11.616 20.594 -2.230 1.00 75.05 ATOM 953 O SER 60 -12.793 20.952 -2.179 1.00 22.32 ATOM 954 N GLN 61 -10.629 21.265 -1.648 1.00 4.43 ATOM 955 HN GLN 61 -9.704 20.929 -1.716 1.00 38.48 ATOM 956 CA GLN 61 -10.877 22.490 -0.896 1.00 32.22 ATOM 957 HA GLN 61 -11.699 22.310 -0.212 1.00 0.31 ATOM 958 CB GLN 61 -9.638 22.877 -0.086 1.00 73.33 ATOM 959 HB1 GLN 61 -9.793 23.866 0.334 1.00 38.48 ATOM 960 HB2 GLN 61 -8.796 22.914 -0.750 1.00 42.42 ATOM 961 CG GLN 61 -9.327 21.913 1.047 1.00 23.31 ATOM 962 HG1 GLN 61 -8.635 21.168 0.682 1.00 38.48 ATOM 963 HG2 GLN 61 -10.239 21.424 1.362 1.00 55.14 ATOM 964 CD GLN 61 -8.702 22.602 2.244 1.00 32.13 ATOM 965 OE1 GLN 61 -7.790 23.417 2.100 1.00 33.33 ATOM 966 NE2 GLN 61 -9.191 22.278 3.436 1.00 52.13 ATOM 967 HE21 GLN 61 -9.920 21.620 3.495 1.00 12.02 ATOM 968 HE22 GLN 61 -8.799 22.714 4.222 1.00 63.35 ATOM 969 C GLN 61 -11.267 23.632 -1.829 1.00 23.24 ATOM 970 O GLN 61 -12.313 24.259 -1.656 1.00 43.01 ATOM 971 N LEU 62 -10.419 23.897 -2.817 1.00 14.14 ATOM 972 HN LEU 62 -9.602 23.356 -2.905 1.00 38.48 ATOM 973 CA LEU 62 -10.675 24.965 -3.778 1.00 23.35 ATOM 974 HA LEU 62 -10.620 25.907 -3.251 1.00 64.50 ATOM 975 CB LEU 62 -9.619 24.945 -4.884 1.00 70.54 ATOM 976 HB1 LEU 62 -10.030 25.468 -5.743 1.00 38.48 ATOM 977 HB2 LEU 62 -9.459 23.914 -5.179 1.00 53.31 ATOM 978 CG LEU 62 -8.273 25.584 -4.540 1.00 73.12 ATOM 979 HG LEU 62 -8.401 26.288 -3.728 1.00 22.24 ATOM 980 CD1 LEU 62 -7.281 24.526 -4.083 1.00 60.14 ATOM 981 HD11 LEU 62 -7.189 23.755 -4.836 1.00 64.13 ATOM 982 HD12 LEU 62 -7.635 24.099 -3.172 1.00 63.11 ATOM 983 HD13 LEU 62 -6.317 24.983 -3.918 1.00 74.33 ATOM 984 CD2 LEU 62 -7.726 26.351 -5.735 1.00 61.53 ATOM 985 HD21 LEU 62 -8.431 27.117 -6.028 1.00 10.42 ATOM 986 HD22 LEU 62 -7.568 25.674 -6.563 1.00 41.45 ATOM 987 HD23 LEU 62 -6.787 26.816 -5.468 1.00 65.43 ATOM 988 C LEU 62 -12.067 24.829 -4.385 1.00 13.12 ATOM 989 O LEU 62 -12.750 25.824 -4.625 1.00 12.45 ATOM 990 N ALA 63 -12.483 23.591 -4.629 1.00 63.40 ATOM 991 HN ALA 63 -11.888 22.829 -4.433 1.00 38.48 ATOM 992 CA ALA 63 -13.795 23.325 -5.204 1.00 35.40 ATOM 993 HA ALA 63 -13.849 23.818 -6.166 1.00 51.24 ATOM 994 CB ALA 63 -13.979 21.831 -5.432 1.00 11.51 ATOM 995 HB1 ALA 63 -14.940 21.648 -5.892 1.00 71.52 ATOM 996 HB2 ALA 63 -13.927 21.310 -4.487 1.00 70.21 ATOM 997 HB3 ALA 63 -13.197 21.470 -6.083 1.00 33.11 ATOM 998 C ALA 63 -14.906 23.866 -4.310 1.00 71.22 ATOM 999 O ALA 63 -15.954 24.296 -4.795 1.00 64.43 ATOM 1000 N LEU 64 -14.672 23.841 -3.003 1.00 3.51 ATOM 1001 HN LEU 64 -13.827 23.473 -2.666 1.00 38.48 ATOM 1002 CA LEU 64 -15.653 24.329 -2.040 1.00 52.43 ATOM 1003 HA LEU 64 -16.643 24.058 -2.388 1.00 51.52 ATOM 1004 CB LEU 64 -15.424 23.679 -0.675 1.00 15.23 ATOM 1005 HB1 LEU 64 -14.394 23.866 -0.409 1.00 38.48 ATOM 1006 HB2 LEU 64 -15.543 22.608 -0.794 1.00 52.34 ATOM 1007 CG LEU 64 -16.329 24.164 0.459 1.00 25.23 ATOM 1008 HG LEU 64 -16.697 25.157 0.253 1.00 23.44 ATOM 1009 CD1 LEU 64 -17.543 23.259 0.597 1.00 13.21 ATOM 1010 HD11 LEU 64 -17.224 22.257 0.853 1.00 21.42 ATOM 1011 HD12 LEU 64 -18.083 23.233 -0.339 1.00 55.31 ATOM 1012 HD13 LEU 64 -18.189 23.632 1.361 1.00 61.14 ATOM 1013 CD2 LEU 64 -15.555 24.225 1.769 1.00 75.24 ATOM 1014 HD21 LEU 64 -15.892 23.450 2.437 1.00 11.33 ATOM 1015 HD22 LEU 64 -15.733 25.182 2.234 1.00 2.54 ATOM 1016 HD23 LEU 64 -14.491 24.113 1.604 1.00 64.54 ATOM 1017 C LEU 64 -15.582 25.848 -1.912 1.00 23.42 ATOM 1018 O LEU 64 -16.601 26.535 -1.975 1.00 41.32 ATOM 1019 N VAL 65 -14.370 26.365 -1.733 1.00 34.12 ATOM 1020 HN VAL 65 -13.597 25.759 -1.708 1.00 38.48 ATOM 1021 CA VAL 65 -14.165 27.802 -1.599 1.00 1.12 ATOM 1022 HA VAL 65 -14.608 28.116 -0.672 1.00 32.51 ATOM 1023 CB VAL 65 -12.666 28.154 -1.564 1.00 22.14 ATOM 1024 HB VAL 65 -12.230 27.888 -2.516 1.00 40.12 ATOM 1025 CG1 VAL 65 -12.472 29.647 -1.346 1.00 35.24 ATOM 1026 HG11 VAL 65 -13.081 29.979 -0.527 1.00 64.34 ATOM 1027 HG12 VAL 65 -12.754 30.169 -2.239 1.00 44.33 ATOM 1028 HG13 VAL 65 -11.436 29.860 -1.124 1.00 12.52 ATOM 1029 CG2 VAL 65 -11.956 27.353 -0.483 1.00 32.44 ATOM 1030 HG21 VAL 65 -10.999 27.801 -0.265 1.00 74.43 ATOM 1031 HG22 VAL 65 -11.796 26.350 -0.824 1.00 13.10 ATOM 1032 HG23 VAL 65 -12.551 27.336 0.421 1.00 22.25 ATOM 1033 C VAL 65 -14.827 28.561 -2.743 1.00 70.14 ATOM 1034 O VAL 65 -15.319 29.675 -2.561 1.00 25.21 ATOM 1035 N ARG 66 -14.837 27.950 -3.924 1.00 4.13 ATOM 1036 HN ARG 66 -14.404 27.070 -4.024 1.00 38.48 ATOM 1037 CA ARG 66 -15.438 28.568 -5.099 1.00 40.31 ATOM 1038 HA ARG 66 -15.032 29.568 -5.202 1.00 43.15 ATOM 1039 CB ARG 66 -15.102 27.761 -6.354 1.00 74.04 ATOM 1040 HB1 ARG 66 -15.789 28.037 -7.148 1.00 38.48 ATOM 1041 HB2 ARG 66 -15.224 26.709 -6.138 1.00 14.13 ATOM 1042 CG ARG 66 -13.686 27.981 -6.860 1.00 1.34 ATOM 1043 HG1 ARG 66 -12.987 27.588 -6.144 1.00 38.48 ATOM 1044 HG2 ARG 66 -13.519 29.043 -6.979 1.00 30.34 ATOM 1045 CD ARG 66 -13.461 27.301 -8.201 1.00 24.33 ATOM 1046 HD1 ARG 66 -14.332 27.444 -8.830 1.00 38.48 ATOM 1047 HD2 ARG 66 -13.320 26.246 -8.018 1.00 64.43 ATOM 1048 NE ARG 66 -12.291 27.833 -8.895 1.00 31.21 ATOM 1049 HE ARG 66 -11.921 28.692 -8.583 1.00 10.22 ATOM 1050 CZ ARG 66 -11.707 27.226 -9.922 1.00 61.10 ATOM 1051 NH1 ARG 66 -12.181 26.072 -10.372 1.00 13.51 ATOM 1052 HH11 ARG 66 -12.978 25.637 -9.960 1.00 11.42 ATOM 1053 HH12 ARG 66 -11.730 25.622 -11.146 1.00 53.13 ATOM 1054 NH2 ARG 66 -10.646 27.773 -10.502 1.00 11.14 ATOM 1055 HH21 ARG 66 -10.282 28.645 -10.167 1.00 63.43 ATOM 1056 HH22 ARG 66 -10.204 27.317 -11.277 1.00 71.42 ATOM 1057 C ARG 66 -16.952 28.678 -4.941 1.00 62.23 ATOM 1058 O ARG 66 -17.546 29.710 -5.255 1.00 24.41 ATOM 1059 N ASP 67 -17.569 27.607 -4.454 1.00 54.32 ATOM 1060 HN ASP 67 -17.042 26.804 -4.227 1.00 38.48 ATOM 1061 CA ASP 67 -19.014 27.583 -4.254 1.00 63.22 ATOM 1062 HA ASP 67 -19.481 27.850 -5.196 1.00 3.40 ATOM 1063 CB ASP 67 -19.469 26.182 -3.843 1.00 74.11 ATOM 1064 HB1 ASP 67 -19.338 26.045 -2.777 1.00 38.48 ATOM 1065 HB2 ASP 67 -18.870 25.448 -4.365 1.00 51.55 ATOM 1066 CG ASP 67 -20.923 25.922 -4.186 1.00 52.10 ATOM 1067 OD1 ASP 67 -21.336 24.744 -4.165 1.00 62.21 ATOM 1068 OD2 ASP 67 -21.648 26.897 -4.476 1.00 71.02 ATOM 1069 C ASP 67 -19.433 28.599 -3.196 1.00 71.42 ATOM 1070 O ASP 67 -20.426 29.307 -3.362 1.00 14.34 ATOM 1071 N ILE 68 -18.671 28.663 -2.110 1.00 22.32 ATOM 1072 HN ILE 68 -17.880 28.083 -2.048 1.00 38.48 ATOM 1073 CA ILE 68 -18.964 29.591 -1.025 1.00 43.43 ATOM 1074 HA ILE 68 -19.888 29.276 -0.557 1.00 64.04 ATOM 1075 CB ILE 68 -17.850 29.584 0.039 1.00 73.52 ATOM 1076 HB ILE 68 -16.928 29.893 -0.436 1.00 33.33 ATOM 1077 CG1 ILE 68 -17.675 28.177 0.615 1.00 73.13 ATOM 1078 HG11 ILE 68 -17.732 27.439 -0.161 1.00 38.48 ATOM 1079 HG12 ILE 68 -18.464 27.980 1.329 1.00 61.13 ATOM 1080 CG2 ILE 68 -18.168 30.579 1.145 1.00 63.12 ATOM 1081 HG21 ILE 68 -18.060 31.587 0.775 1.00 72.43 ATOM 1082 HG22 ILE 68 -17.485 30.437 1.972 1.00 22.32 ATOM 1083 HG23 ILE 68 -19.181 30.431 1.494 1.00 23.41 ATOM 1084 CD1 ILE 68 -16.358 27.977 1.330 1.00 23.44 ATOM 1085 HD11 ILE 68 -15.925 27.036 1.028 1.00 61.11 ATOM 1086 HD12 ILE 68 -16.531 27.962 2.396 1.00 50.55 ATOM 1087 HD13 ILE 68 -15.670 28.778 1.094 1.00 64.42 ATOM 1088 C ILE 68 -19.139 31.012 -1.551 1.00 12.24 ATOM 1089 O ILE 68 -20.082 31.710 -1.178 1.00 53.52 ATOM 1090 N ARG 69 -18.226 31.433 -2.419 1.00 43.13 ATOM 1091 HN ARG 69 -17.491 30.829 -2.681 1.00 38.48 ATOM 1092 CA ARG 69 -18.280 32.771 -2.997 1.00 23.31 ATOM 1093 HA ARG 69 -18.421 33.478 -2.198 1.00 22.40 ATOM 1094 CB ARG 69 -16.966 33.094 -3.711 1.00 53.23 ATOM 1095 HB1 ARG 69 -16.765 32.321 -4.440 1.00 38.48 ATOM 1096 HB2 ARG 69 -16.175 33.097 -2.990 1.00 41.21 ATOM 1097 CG ARG 69 -16.968 34.446 -4.407 1.00 32.31 ATOM 1098 HG1 ARG 69 -15.966 34.851 -4.376 1.00 38.48 ATOM 1099 HG2 ARG 69 -17.639 35.122 -3.892 1.00 51.31 ATOM 1100 CD ARG 69 -17.412 34.325 -5.856 1.00 41.55 ATOM 1101 HD1 ARG 69 -18.002 35.190 -6.117 1.00 38.48 ATOM 1102 HD2 ARG 69 -18.017 33.445 -5.988 1.00 52.11 ATOM 1103 NE ARG 69 -16.277 34.214 -6.769 1.00 1.52 ATOM 1104 HE ARG 69 -16.042 33.315 -7.089 1.00 14.31 ATOM 1105 CZ ARG 69 -15.560 35.255 -7.180 1.00 74.44 ATOM 1106 NH1 ARG 69 -15.860 36.477 -6.763 1.00 25.24 ATOM 1107 HH11 ARG 69 -16.608 36.634 -6.138 1.00 2.52 ATOM 1108 HH12 ARG 69 -15.321 37.258 -7.085 1.00 44.21 ATOM 1109 NH2 ARG 69 -14.542 35.073 -8.011 1.00 42.02 ATOM 1110 HH21 ARG 69 -14.319 34.152 -8.337 1.00 51.10 ATOM 1111 HH22 ARG 69 -13.983 35.832 -8.287 1.00 54.24 ATOM 1112 C ARG 69 -19.446 32.895 -3.973 1.00 31.31 ATOM 1113 O ARG 69 -20.183 33.881 -3.953 1.00 65.04 ATOM 1114 N ARG 70 -19.607 31.888 -4.825 1.00 71.14 ATOM 1115 HN ARG 70 -18.977 31.129 -4.803 1.00 38.48 ATOM 1116 CA ARG 70 -20.682 31.885 -5.810 1.00 52.11 ATOM 1117 HA ARG 70 -20.486 32.676 -6.519 1.00 64.24 ATOM 1118 CB ARG 70 -20.718 30.549 -6.554 1.00 31.44 ATOM 1119 HB1 ARG 70 -20.712 29.747 -5.830 1.00 38.48 ATOM 1120 HB2 ARG 70 -19.829 30.475 -7.167 1.00 75.52 ATOM 1121 CG ARG 70 -21.938 30.380 -7.444 1.00 72.32 ATOM 1122 HG1 ARG 70 -22.039 31.247 -8.076 1.00 38.48 ATOM 1123 HG2 ARG 70 -22.817 30.279 -6.825 1.00 32.25 ATOM 1124 CD ARG 70 -21.827 29.136 -8.312 1.00 23.23 ATOM 1125 HD1 ARG 70 -21.668 28.279 -7.670 1.00 38.48 ATOM 1126 HD2 ARG 70 -20.980 29.241 -8.976 1.00 75.22 ATOM 1127 NE ARG 70 -23.037 28.906 -9.097 1.00 24.44 ATOM 1128 HE ARG 70 -23.620 28.166 -8.819 1.00 65.14 ATOM 1129 CZ ARG 70 -23.379 29.638 -10.150 1.00 73.05 ATOM 1130 NH1 ARG 70 -22.607 30.642 -10.544 1.00 34.42 ATOM 1131 HH11 ARG 70 -21.759 30.869 -10.079 1.00 22.34 ATOM 1132 HH12 ARG 70 -22.883 31.192 -11.336 1.00 71.25 ATOM 1133 NH2 ARG 70 -24.496 29.367 -10.814 1.00 31.43 ATOM 1134 HH21 ARG 70 -25.084 28.610 -10.523 1.00 74.43 ATOM 1135 HH22 ARG 70 -24.756 29.919 -11.609 1.00 52.34 ATOM 1136 C ARG 70 -22.030 32.145 -5.144 1.00 12.11 ATOM 1137 O ARG 70 -22.775 33.036 -5.554 1.00 24.05 ATOM 1138 N ARG 71 -22.337 31.361 -4.116 1.00 13.03 ATOM 1139 HN ARG 71 -21.696 30.665 -3.833 1.00 38.48 ATOM 1140 CA ARG 71 -23.596 31.505 -3.394 1.00 41.21 ATOM 1141 HA ARG 71 -24.407 31.375 -4.101 1.00 21.15 ATOM 1142 CB ARG 71 -23.707 30.440 -2.302 1.00 1.24 ATOM 1143 HB1 ARG 71 -24.480 30.737 -1.599 1.00 38.48 ATOM 1144 HB2 ARG 71 -22.764 30.379 -1.777 1.00 22.24 ATOM 1145 CG ARG 71 -24.045 29.056 -2.832 1.00 50.51 ATOM 1146 HG1 ARG 71 -23.132 28.568 -3.127 1.00 38.48 ATOM 1147 HG2 ARG 71 -24.698 29.148 -3.691 1.00 51.41 ATOM 1148 CD ARG 71 -24.751 28.214 -1.781 1.00 42.10 ATOM 1149 HD1 ARG 71 -24.923 27.224 -2.179 1.00 38.48 ATOM 1150 HD2 ARG 71 -25.703 28.675 -1.556 1.00 53.33 ATOM 1151 NE ARG 71 -23.976 28.116 -0.547 1.00 65.12 ATOM 1152 HE ARG 71 -24.305 28.615 0.233 1.00 73.11 ATOM 1153 CZ ARG 71 -22.866 27.395 -0.432 1.00 43.10 ATOM 1154 NH1 ARG 71 -22.403 26.713 -1.471 1.00 13.22 ATOM 1155 HH11 ARG 71 -22.867 26.710 -2.349 1.00 75.25 ATOM 1156 HH12 ARG 71 -21.558 26.183 -1.372 1.00 2.13 ATOM 1157 NH2 ARG 71 -22.216 27.356 0.724 1.00 22.32 ATOM 1158 HH21 ARG 71 -22.570 27.843 1.502 1.00 32.44 ATOM 1159 HH22 ARG 71 -21.343 26.878 0.793 1.00 60.11 ATOM 1160 C ARG 71 -23.713 32.896 -2.777 1.00 63.03 ATOM 1161 O ARG 71 -24.720 33.581 -2.952 1.00 4.02 ATOM 1162 N GLY 72 -22.675 33.306 -2.054 1.00 41.44 ATOM 1163 HN GLY 72 -21.891 32.722 -1.941 1.00 38.48 ATOM 1164 CA GLY 72 -22.681 34.613 -1.422 1.00 75.32 ATOM 1165 HA1 GLY 72 -21.706 34.798 -0.995 1.00 38.48 ATOM 1166 HA2 GLY 72 -23.415 34.616 -0.629 1.00 31.22 ATOM 1167 C GLY 72 -23.008 35.727 -2.397 1.00 21.13 ATOM 1168 O GLY 72 -23.860 36.572 -2.123 1.00 3.55 ATOM 1169 N LYS 73 -22.328 35.730 -3.538 1.00 51.23 ATOM 1170 HN LYS 73 -21.661 35.021 -3.703 1.00 38.48 ATOM 1171 CA LYS 73 -22.549 36.749 -4.558 1.00 20.21 ATOM 1172 HA LYS 73 -22.571 37.718 -4.071 1.00 51.11 ATOM 1173 CB LYS 73 -21.417 36.723 -5.587 1.00 43.42 ATOM 1174 HB1 LYS 73 -21.815 36.996 -6.560 1.00 38.48 ATOM 1175 HB2 LYS 73 -21.015 35.721 -5.652 1.00 12.11 ATOM 1176 CG LYS 73 -20.274 37.669 -5.258 1.00 72.41 ATOM 1177 HG1 LYS 73 -19.570 37.145 -4.625 1.00 38.48 ATOM 1178 HG2 LYS 73 -20.656 38.536 -4.734 1.00 13.11 ATOM 1179 CD LYS 73 -19.563 38.143 -6.514 1.00 72.24 ATOM 1180 HD1 LYS 73 -20.189 38.864 -7.019 1.00 38.48 ATOM 1181 HD2 LYS 73 -19.382 37.299 -7.168 1.00 74.51 ATOM 1182 CE LYS 73 -18.228 38.793 -6.187 1.00 64.23 ATOM 1183 HE1 LYS 73 -17.675 38.163 -5.510 1.00 38.48 ATOM 1184 HE2 LYS 73 -18.419 39.743 -5.709 1.00 63.11 ATOM 1185 NZ LYS 73 -17.413 39.032 -7.411 1.00 24.44 ATOM 1186 HZ1 LYS 73 -17.329 38.160 -7.975 1.00 4.14 ATOM 1187 HZ2 LYS 73 -16.459 39.350 -7.147 1.00 54.12 ATOM 1188 HZ3 LYS 73 -17.859 39.768 -7.996 1.00 22.25 ATOM 1189 C LYS 73 -23.889 36.539 -5.255 1.00 71.25 ATOM 1190 O LYS 73 -24.485 37.483 -5.773 1.00 23.24 ATOM 1191 N ASN 74 -24.358 35.295 -5.264 1.00 50.23 ATOM 1192 HN ASN 74 -23.824 34.570 -4.875 1.00 38.48 ATOM 1193 CA ASN 74 -25.629 34.962 -5.898 1.00 22.03 ATOM 1194 HA ASN 74 -25.513 35.112 -6.963 1.00 4.54 ATOM 1195 CB ASN 74 -25.988 33.499 -5.629 1.00 51.23 ATOM 1196 HB1 ASN 74 -26.315 33.388 -4.606 1.00 38.48 ATOM 1197 HB2 ASN 74 -25.118 32.885 -5.788 1.00 41.31 ATOM 1198 CG ASN 74 -27.085 32.995 -6.548 1.00 4.32 ATOM 1199 OD1 ASN 74 -26.991 33.116 -7.769 1.00 43.13 ATOM 1200 ND2 ASN 74 -28.132 32.427 -5.962 1.00 31.00 ATOM 1201 HD21 ASN 74 -28.156 32.356 -4.981 1.00 0.33 ATOM 1202 HD22 ASN 74 -28.851 32.095 -6.540 1.00 73.21 ATOM 1203 C ASN 74 -26.744 35.872 -5.392 1.00 2.21 ATOM 1204 O ASN 74 -27.586 36.330 -6.165 1.00 5.30 ATOM 1205 N LYS 75 -26.743 36.131 -4.089 1.00 13.13 ATOM 1206 HN LYS 75 -26.054 35.723 -3.513 1.00 38.48 ATOM 1207 CA LYS 75 -27.753 36.988 -3.478 1.00 3.00 ATOM 1208 HA LYS 75 -28.714 36.504 -3.602 1.00 2.33 ATOM 1209 CB LYS 75 -27.465 37.165 -1.985 1.00 54.33 ATOM 1210 HB1 LYS 75 -26.681 37.904 -1.858 1.00 38.48 ATOM 1211 HB2 LYS 75 -27.117 36.221 -1.586 1.00 50.33 ATOM 1212 CG LYS 75 -28.681 37.587 -1.178 1.00 3.40 ATOM 1213 HG1 LYS 75 -29.259 36.708 -0.934 1.00 38.48 ATOM 1214 HG2 LYS 75 -29.285 38.263 -1.773 1.00 62.33 ATOM 1215 CD LYS 75 -28.279 38.285 0.111 1.00 51.33 ATOM 1216 HD1 LYS 75 -27.503 39.011 -0.098 1.00 38.48 ATOM 1217 HD2 LYS 75 -27.906 37.549 0.806 1.00 72.22 ATOM 1218 CE LYS 75 -29.459 39.006 0.745 1.00 22.55 ATOM 1219 HE1 LYS 75 -29.982 39.578 -0.011 1.00 38.48 ATOM 1220 HE2 LYS 75 -29.083 39.679 1.501 1.00 41.22 ATOM 1221 NZ LYS 75 -30.411 38.055 1.383 1.00 74.22 ATOM 1222 HZ1 LYS 75 -30.789 37.391 0.675 1.00 64.34 ATOM 1223 HZ2 LYS 75 -31.204 38.578 1.805 1.00 32.42 ATOM 1224 HZ3 LYS 75 -29.933 37.512 2.133 1.00 33.35 ATOM 1225 C LYS 75 -27.797 38.350 -4.163 1.00 41.12 ATOM 1226 O LYS 75 -28.847 38.990 -4.227 1.00 45.30 ATOM 1227 N VAL 76 -26.651 38.787 -4.676 1.00 10.22 ATOM 1228 HN VAL 76 -25.832 38.262 -4.565 1.00 38.48 ATOM 1229 CA VAL 76 -26.560 40.072 -5.359 1.00 2.12 ATOM 1230 HA VAL 76 -27.209 40.780 -4.852 1.00 14.11 ATOM 1231 CB VAL 76 -25.124 40.628 -5.320 1.00 21.14 ATOM 1232 HB VAL 76 -24.470 39.936 -5.831 1.00 50.12 ATOM 1233 CG1 VAL 76 -25.049 41.966 -6.039 1.00 73.13 ATOM 1234 HG11 VAL 76 -24.070 42.404 -5.890 1.00 63.51 ATOM 1235 HG12 VAL 76 -25.801 42.637 -5.647 1.00 44.25 ATOM 1236 HG13 VAL 76 -25.209 41.825 -7.097 1.00 12.31 ATOM 1237 CG2 VAL 76 -24.643 40.759 -3.882 1.00 63.45 ATOM 1238 HG21 VAL 76 -25.293 41.433 -3.340 1.00 73.42 ATOM 1239 HG22 VAL 76 -23.634 41.148 -3.871 1.00 71.21 ATOM 1240 HG23 VAL 76 -24.653 39.790 -3.405 1.00 74.22 ATOM 1241 C VAL 76 -27.009 39.955 -6.811 1.00 45.52 ATOM 1242 O VAL 76 -27.683 40.841 -7.336 1.00 71.20 ATOM 1243 N ALA 77 -26.629 38.857 -7.455 1.00 74.44 ATOM 1244 HN ALA 77 -26.069 38.190 -6.991 1.00 38.48 ATOM 1245 CA ALA 77 -26.995 38.622 -8.847 1.00 1.51 ATOM 1246 HA ALA 77 -26.485 39.356 -9.455 1.00 55.41 ATOM 1247 CB ALA 77 -26.534 37.241 -9.288 1.00 51.24 ATOM 1248 HB1 ALA 77 -27.041 36.484 -8.706 1.00 42.24 ATOM 1249 HB2 ALA 77 -25.468 37.154 -9.135 1.00 10.32 ATOM 1250 HB3 ALA 77 -26.758 37.100 -10.336 1.00 61.23 ATOM 1251 C ALA 77 -28.499 38.771 -9.052 1.00 44.32 ATOM 1252 O ALA 77 -28.951 39.181 -10.121 1.00 11.35 ATOM 1253 N ALA 78 -29.268 38.435 -8.022 1.00 22.20 ATOM 1254 HN ALA 78 -28.860 38.064 -7.206 1.00 38.48 ATOM 1255 CA ALA 78 -30.721 38.532 -8.089 1.00 44.55 ATOM 1256 HA ALA 78 -31.073 37.796 -8.798 1.00 51.43 ATOM 1257 CB ALA 78 -31.334 38.214 -6.734 1.00 55.12 ATOM 1258 HB1 ALA 78 -32.412 38.233 -6.809 1.00 5.24 ATOM 1259 HB2 ALA 78 -31.010 38.945 -6.007 1.00 0.24 ATOM 1260 HB3 ALA 78 -31.015 37.231 -6.419 1.00 52.31 ATOM 1261 C ALA 78 -31.157 39.917 -8.558 1.00 24.32 ATOM 1262 O ALA 78 -32.060 40.046 -9.383 1.00 71.23 ATOM 1263 N GLN 79 -30.509 40.948 -8.025 1.00 32.23 ATOM 1264 HN GLN 79 -29.794 40.784 -7.364 1.00 38.48 ATOM 1265 CA GLN 79 -30.832 42.322 -8.388 1.00 53.51 ATOM 1266 HA GLN 79 -31.908 42.443 -8.330 1.00 21.23 ATOM 1267 CB GLN 79 -30.160 43.299 -7.422 1.00 4.21 ATOM 1268 HB1 GLN 79 -29.987 44.248 -7.920 1.00 38.48 ATOM 1269 HB2 GLN 79 -29.204 42.894 -7.119 1.00 52.02 ATOM 1270 CG GLN 79 -30.973 43.571 -6.167 1.00 31.42 ATOM 1271 HG1 GLN 79 -30.351 44.108 -5.466 1.00 38.48 ATOM 1272 HG2 GLN 79 -31.269 42.627 -5.728 1.00 62.24 ATOM 1273 CD GLN 79 -32.213 44.399 -6.442 1.00 64.24 ATOM 1274 OE1 GLN 79 -32.212 45.266 -7.316 1.00 50.33 ATOM 1275 NE2 GLN 79 -33.279 44.135 -5.697 1.00 31.05 ATOM 1276 HE21 GLN 79 -33.223 43.430 -5.013 1.00 72.42 ATOM 1277 HE22 GLN 79 -34.090 44.660 -5.860 1.00 35.43 ATOM 1278 C GLN 79 -30.398 42.624 -9.819 1.00 31.23 ATOM 1279 O GLN 79 -31.007 43.445 -10.502 1.00 51.53 ATOM 1280 N ASN 80 -29.341 41.953 -10.265 1.00 1.13 ATOM 1281 HN ASN 80 -28.869 41.331 -9.677 1.00 38.48 ATOM 1282 CA ASN 80 -28.824 42.150 -11.614 1.00 54.03 ATOM 1283 HA ASN 80 -29.365 42.957 -12.094 1.00 24.32 ATOM 1284 CB ASN 80 -27.342 42.526 -11.566 1.00 12.43 ATOM 1285 HB1 ASN 80 -26.979 42.669 -12.576 1.00 38.48 ATOM 1286 HB2 ASN 80 -26.785 41.722 -11.103 1.00 72.22 ATOM 1287 CG ASN 80 -27.096 43.808 -10.793 1.00 52.02 ATOM 1288 OD1 ASN 80 -27.461 44.895 -11.241 1.00 4.41 ATOM 1289 ND2 ASN 80 -26.475 43.685 -9.626 1.00 44.21 ATOM 1290 HD21 ASN 80 -26.206 42.791 -9.316 1.00 11.23 ATOM 1291 HD22 ASN 80 -26.307 44.502 -9.112 1.00 34.44 ATOM 1292 C ASN 80 -29.014 40.893 -12.458 1.00 40.21 ATOM 1293 O ASN 80 -28.074 40.409 -13.090 1.00 14.41 ATOM 1294 N TYR 81 -30.235 40.370 -12.464 1.00 21.00 ATOM 1295 HN TYR 81 -30.955 40.812 -11.953 1.00 38.48 ATOM 1296 CA TYR 81 -30.548 39.169 -13.228 1.00 61.54 ATOM 1297 HA TYR 81 -29.659 38.547 -13.266 1.00 14.42 ATOM 1298 CB TYR 81 -31.672 38.385 -12.549 1.00 31.20 ATOM 1299 HB1 TYR 81 -32.640 38.756 -12.864 1.00 38.48 ATOM 1300 HB2 TYR 81 -31.591 38.522 -11.477 1.00 52.41 ATOM 1301 CG TYR 81 -31.618 36.897 -12.812 1.00 61.14 ATOM 1302 CD1 TYR 81 -30.621 36.108 -12.252 1.00 4.33 ATOM 1303 HD1 TYR 81 -29.876 36.569 -11.618 1.00 71.30 ATOM 1304 CD2 TYR 81 -32.563 36.280 -13.622 1.00 60.24 ATOM 1305 HD2 TYR 81 -33.347 36.876 -14.068 1.00 42.13 ATOM 1306 CE1 TYR 81 -30.567 34.749 -12.490 1.00 65.40 ATOM 1307 HE1 TYR 81 -29.784 34.154 -12.045 1.00 62.01 ATOM 1308 CE2 TYR 81 -32.518 34.921 -13.865 1.00 64.40 ATOM 1309 HE2 TYR 81 -33.263 34.461 -14.497 1.00 42.12 ATOM 1310 CZ TYR 81 -31.517 34.159 -13.297 1.00 15.42 ATOM 1311 OH TYR 81 -31.468 32.805 -13.537 1.00 40.42 ATOM 1312 HH TYR 81 -31.743 32.323 -12.751 1.00 63.13 ATOM 1313 C TYR 81 -30.950 39.521 -14.657 1.00 52.32 ATOM 1314 O TYR 81 -30.285 39.129 -15.616 1.00 2.30 ATOM 1315 N ARG 82 -32.044 40.265 -14.791 1.00 24.25 ATOM 1316 HN ARG 82 -32.521 40.578 -13.986 1.00 38.48 ATOM 1317 CA ARG 82 -32.536 40.671 -16.101 1.00 72.13 ATOM 1318 HA ARG 82 -32.294 39.894 -16.816 1.00 14.22 ATOM 1319 CB ARG 82 -34.054 40.856 -16.064 1.00 52.51 ATOM 1320 HB1 ARG 82 -34.372 41.439 -16.922 1.00 38.48 ATOM 1321 HB2 ARG 82 -34.312 41.401 -15.166 1.00 30.22 ATOM 1322 CG ARG 82 -34.828 39.548 -16.054 1.00 3.14 ATOM 1323 HG1 ARG 82 -35.821 39.740 -15.674 1.00 38.48 ATOM 1324 HG2 ARG 82 -34.331 38.835 -15.408 1.00 70.30 ATOM 1325 CD ARG 82 -34.948 38.961 -17.451 1.00 64.41 ATOM 1326 HD1 ARG 82 -35.041 39.770 -18.165 1.00 38.48 ATOM 1327 HD2 ARG 82 -35.840 38.352 -17.488 1.00 64.11 ATOM 1328 NE ARG 82 -33.799 38.127 -17.795 1.00 31.54 ATOM 1329 HE ARG 82 -33.243 37.781 -17.058 1.00 41.32 ATOM 1330 CZ ARG 82 -33.470 37.806 -19.041 1.00 73.11 ATOM 1331 NH1 ARG 82 -34.199 38.248 -20.057 1.00 22.41 ATOM 1332 HH11 ARG 82 -35.002 38.820 -19.917 1.00 14.01 ATOM 1333 HH12 ARG 82 -33.939 38.003 -20.993 1.00 33.33 ATOM 1334 NH2 ARG 82 -32.410 37.042 -19.273 1.00 53.23 ATOM 1335 HH21 ARG 82 -31.855 36.705 -18.510 1.00 65.50 ATOM 1336 HH22 ARG 82 -32.160 36.798 -20.212 1.00 43.34 ATOM 1337 C ARG 82 -31.866 41.964 -16.557 1.00 60.43 ATOM 1338 O ARG 82 -31.402 42.758 -15.739 1.00 34.02 ATOM 1339 N LYS 83 -31.818 42.168 -17.869 1.00 63.14 ATOM 1340 HN LYS 83 -32.195 41.488 -18.478 1.00 38.48 ATOM 1341 CA LYS 83 -31.205 43.364 -18.436 1.00 34.30 ATOM 1342 HA LYS 83 -31.452 44.206 -17.798 1.00 45.14 ATOM 1343 CB LYS 83 -29.683 43.212 -18.475 1.00 0.51 ATOM 1344 HB1 LYS 83 -29.330 43.078 -17.461 1.00 38.48 ATOM 1345 HB2 LYS 83 -29.246 44.115 -18.880 1.00 71.01 ATOM 1346 CG LYS 83 -29.210 42.034 -19.309 1.00 0.42 ATOM 1347 HG1 LYS 83 -29.416 42.234 -20.350 1.00 38.48 ATOM 1348 HG2 LYS 83 -29.744 41.145 -18.999 1.00 53.00 ATOM 1349 CD LYS 83 -27.718 41.800 -19.146 1.00 64.51 ATOM 1350 HD1 LYS 83 -27.463 41.825 -18.093 1.00 38.48 ATOM 1351 HD2 LYS 83 -27.183 42.581 -19.665 1.00 53.35 ATOM 1352 CE LYS 83 -27.300 40.454 -19.718 1.00 65.34 ATOM 1353 HE1 LYS 83 -27.207 40.547 -20.790 1.00 38.48 ATOM 1354 HE2 LYS 83 -28.054 39.712 -19.486 1.00 44.50 ATOM 1355 NZ LYS 83 -25.999 39.993 -19.159 1.00 22.14 ATOM 1356 HZ1 LYS 83 -26.065 39.890 -18.125 1.00 3.34 ATOM 1357 HZ2 LYS 83 -25.246 40.677 -19.381 1.00 61.33 ATOM 1358 HZ3 LYS 83 -25.743 39.072 -19.570 1.00 51.32 ATOM 1359 C LYS 83 -31.736 43.634 -19.840 1.00 71.53 ATOM 1360 O LYS 83 -31.770 42.738 -20.684 1.00 65.41 ATOM 1361 N ARG 84 -32.149 44.873 -20.084 1.00 44.21 ATOM 1362 HN ARG 84 -32.092 45.551 -19.369 1.00 38.48 ATOM 1363 CA ARG 84 -32.677 45.260 -21.386 1.00 52.25 ATOM 1364 HA ARG 84 -33.482 44.580 -21.641 1.00 53.14 ATOM 1365 CB ARG 84 -33.223 46.689 -21.335 1.00 63.52 ATOM 1366 HB1 ARG 84 -33.275 47.092 -22.340 1.00 38.48 ATOM 1367 HB2 ARG 84 -32.541 47.297 -20.754 1.00 33.22 ATOM 1368 CG ARG 84 -34.613 46.788 -20.728 1.00 43.24 ATOM 1369 HG1 ARG 84 -34.709 46.071 -19.922 1.00 38.48 ATOM 1370 HG2 ARG 84 -35.344 46.571 -21.492 1.00 71.44 ATOM 1371 CD ARG 84 -34.880 48.179 -20.175 1.00 15.01 ATOM 1372 HD1 ARG 84 -34.106 48.434 -19.464 1.00 38.48 ATOM 1373 HD2 ARG 84 -35.836 48.164 -19.671 1.00 42.31 ATOM 1374 NE ARG 84 -34.913 49.190 -21.228 1.00 11.30 ATOM 1375 HE ARG 84 -34.654 48.917 -22.139 1.00 23.13 ATOM 1376 CZ ARG 84 -35.270 50.453 -21.023 1.00 44.41 ATOM 1377 NH1 ARG 84 -35.622 50.858 -19.811 1.00 4.14 ATOM 1378 HH11 ARG 84 -35.626 50.232 -19.033 1.00 52.41 ATOM 1379 HH12 ARG 84 -35.891 51.813 -19.667 1.00 15.12 ATOM 1380 NH2 ARG 84 -35.274 51.315 -22.032 1.00 60.14 ATOM 1381 HH21 ARG 84 -35.008 51.016 -22.951 1.00 30.42 ATOM 1382 HH22 ARG 84 -35.543 52.268 -21.880 1.00 44.03 ATOM 1383 C ARG 84 -31.601 45.154 -22.463 1.00 75.54 ATOM 1384 O ARG 84 -30.421 44.973 -22.162 1.00 54.11 ATOM 1385 N LYS 85 -32.017 45.266 -23.720 1.00 60.45 ATOM 1386 HN LYS 85 -32.978 45.395 -23.903 1.00 38.48 ATOM 1387 CA LYS 85 -31.091 45.183 -24.843 1.00 65.23 ATOM 1388 HA LYS 85 -30.106 45.488 -24.506 1.00 25.40 ATOM 1389 CB LYS 85 -31.011 43.745 -25.360 1.00 62.43 ATOM 1390 HB1 LYS 85 -31.970 43.461 -25.773 1.00 38.48 ATOM 1391 HB2 LYS 85 -30.790 43.098 -24.521 1.00 51.53 ATOM 1392 CG LYS 85 -29.949 43.540 -26.427 1.00 31.41 ATOM 1393 HG1 LYS 85 -29.047 44.065 -26.131 1.00 38.48 ATOM 1394 HG2 LYS 85 -30.311 43.943 -27.361 1.00 21.12 ATOM 1395 CD LYS 85 -29.629 42.067 -26.619 1.00 61.23 ATOM 1396 HD1 LYS 85 -30.436 41.605 -27.169 1.00 38.48 ATOM 1397 HD2 LYS 85 -29.531 41.588 -25.653 1.00 30.50 ATOM 1398 CE LYS 85 -28.334 41.874 -27.394 1.00 55.45 ATOM 1399 HE1 LYS 85 -28.229 42.656 -28.136 1.00 38.48 ATOM 1400 HE2 LYS 85 -28.376 40.917 -27.893 1.00 54.22 ATOM 1401 NZ LYS 85 -27.144 41.890 -26.499 1.00 74.14 ATOM 1402 HZ1 LYS 85 -27.209 41.124 -25.796 1.00 75.24 ATOM 1403 HZ2 LYS 85 -27.079 42.801 -25.998 1.00 75.53 ATOM 1404 HZ3 LYS 85 -26.278 41.756 -27.059 1.00 55.35 ATOM 1405 C LYS 85 -31.518 46.117 -25.971 1.00 63.32 ATOM 1406 O LYS 85 -32.696 46.451 -26.102 1.00 10.05 ATOM 1407 N LEU 86 -30.554 46.533 -26.785 1.00 1.51 ATOM 1408 HN LEU 86 -29.626 46.237 -26.636 1.00 38.48 ATOM 1409 CA LEU 86 -30.831 47.428 -27.904 1.00 24.05 ATOM 1410 HA LEU 86 -31.836 47.815 -27.802 1.00 3.54 ATOM 1411 CB LEU 86 -29.843 48.596 -27.904 1.00 51.24 ATOM 1412 HB1 LEU 86 -29.704 48.943 -28.923 1.00 38.48 ATOM 1413 HB2 LEU 86 -28.888 48.233 -27.548 1.00 54.25 ATOM 1414 CG LEU 86 -30.232 49.805 -27.052 1.00 73.33 ATOM 1415 HG LEU 86 -29.420 50.518 -27.058 1.00 43.23 ATOM 1416 CD1 LEU 86 -31.462 50.490 -27.628 1.00 1.00 ATOM 1417 HD11 LEU 86 -31.675 51.383 -27.058 1.00 23.12 ATOM 1418 HD12 LEU 86 -32.312 49.827 -27.581 1.00 20.22 ATOM 1419 HD13 LEU 86 -31.278 50.764 -28.658 1.00 31.25 ATOM 1420 CD2 LEU 86 -30.480 49.384 -25.611 1.00 61.41 ATOM 1421 HD21 LEU 86 -29.632 48.824 -25.240 1.00 13.30 ATOM 1422 HD22 LEU 86 -31.368 48.774 -25.552 1.00 13.32 ATOM 1423 HD23 LEU 86 -30.615 50.266 -25.002 1.00 52.10 ATOM 1424 C LEU 86 -30.753 46.680 -29.231 1.00 4.32 ATOM 1425 O LEU 86 -30.066 45.666 -29.342 1.00 63.44 ATOM 1426 N GLU 87 -31.460 47.191 -30.234 1.00 62.32 ATOM 1427 HN GLU 87 -31.973 48.022 -30.087 1.00 38.48 ATOM 1428 CA GLU 87 -31.469 46.571 -31.554 1.00 43.21 ATOM 1429 HA GLU 87 -31.599 45.502 -31.428 1.00 64.02 ATOM 1430 CB GLU 87 -32.638 47.105 -32.384 1.00 71.44 ATOM 1431 HB1 GLU 87 -32.707 46.519 -33.291 1.00 38.48 ATOM 1432 HB2 GLU 87 -32.445 48.138 -32.646 1.00 21.51 ATOM 1433 CG GLU 87 -33.973 47.052 -31.660 1.00 3.51 ATOM 1434 HG1 GLU 87 -34.096 47.965 -31.096 1.00 38.48 ATOM 1435 HG2 GLU 87 -33.984 46.208 -30.983 1.00 3.54 ATOM 1436 CD GLU 87 -35.147 46.910 -32.609 1.00 64.12 ATOM 1437 OE1 GLU 87 -35.764 47.942 -32.947 1.00 32.40 ATOM 1438 OE2 GLU 87 -35.448 45.768 -33.014 1.00 22.32 ATOM 1439 C GLU 87 -30.154 46.827 -32.284 1.00 45.44 ATOM 1440 O GLU 87 -30.022 47.800 -33.029 1.00 21.41 ATOM 1441 N THR 88 -29.181 45.948 -32.066 1.00 3.15 ATOM 1442 HN THR 88 -29.342 45.180 -31.469 1.00 38.48 ATOM 1443 CA THR 88 -27.875 46.079 -32.700 1.00 73.31 ATOM 1444 HA THR 88 -27.785 47.087 -33.098 1.00 41.21 ATOM 1445 CB THR 88 -26.734 45.861 -31.688 1.00 74.24 ATOM 1446 HB THR 88 -26.290 44.883 -31.836 1.00 41.22 ATOM 1447 OG1 THR 88 -27.246 45.922 -30.352 1.00 50.24 ATOM 1448 HG1 THR 88 -26.666 45.436 -29.760 1.00 41.32 ATOM 1449 CG2 THR 88 -25.645 46.907 -31.868 1.00 64.21 ATOM 1450 HG21 THR 88 -24.859 46.733 -31.148 1.00 40.54 ATOM 1451 HG22 THR 88 -26.060 47.893 -31.714 1.00 14.34 ATOM 1452 HG23 THR 88 -25.238 46.839 -32.867 1.00 15.31 ATOM 1453 C THR 88 -27.719 45.086 -33.846 1.00 73.13 ATOM 1454 O THR 88 -27.621 43.879 -33.625 1.00 22.41 ATOM 1455 N ILE 89 -27.697 45.602 -35.071 1.00 21.34 ATOM 1456 HN ILE 89 -27.776 46.576 -35.196 1.00 38.48 ATOM 1457 CA ILE 89 -27.551 44.759 -36.251 1.00 42.43 ATOM 1458 HA ILE 89 -27.627 43.716 -35.952 1.00 11.44 ATOM 1459 CB ILE 89 -28.667 45.030 -37.278 1.00 5.43 ATOM 1460 HB ILE 89 -28.597 46.064 -37.590 1.00 32.14 ATOM 1461 CG1 ILE 89 -30.039 44.789 -36.647 1.00 74.41 ATOM 1462 HG11 ILE 89 -30.106 45.320 -35.707 1.00 38.48 ATOM 1463 HG12 ILE 89 -30.174 43.733 -36.463 1.00 54.12 ATOM 1464 CG2 ILE 89 -28.480 44.153 -38.507 1.00 12.14 ATOM 1465 HG21 ILE 89 -27.556 44.400 -39.004 1.00 1.12 ATOM 1466 HG22 ILE 89 -29.293 44.311 -39.200 1.00 25.23 ATOM 1467 HG23 ILE 89 -28.461 43.113 -38.213 1.00 73.33 ATOM 1468 CD1 ILE 89 -31.191 45.260 -37.507 1.00 70.44 ATOM 1469 HD11 ILE 89 -32.111 45.181 -36.946 1.00 24.40 ATOM 1470 HD12 ILE 89 -31.259 44.645 -38.391 1.00 11.05 ATOM 1471 HD13 ILE 89 -31.035 46.290 -37.795 1.00 42.02 ATOM 1472 C ILE 89 -26.197 44.978 -36.919 1.00 13.33 ATOM 1473 O ILE 89 -25.789 46.114 -37.161 1.00 40.12 ATOM 1474 N VAL 90 -25.506 43.883 -37.215 1.00 64.51 ATOM 1475 HN VAL 90 -25.893 43.001 -37.027 1.00 38.48 ATOM 1476 CA VAL 90 -24.199 43.954 -37.858 1.00 22.23 ATOM 1477 HA VAL 90 -23.914 44.997 -37.964 1.00 55.11 ATOM 1478 CB VAL 90 -23.117 43.261 -37.008 1.00 70.21 ATOM 1479 HB VAL 90 -23.070 43.755 -36.048 1.00 4.35 ATOM 1480 CG1 VAL 90 -23.475 41.801 -36.775 1.00 63.24 ATOM 1481 HG11 VAL 90 -23.472 41.258 -37.707 1.00 64.42 ATOM 1482 HG12 VAL 90 -24.447 41.724 -36.316 1.00 64.13 ATOM 1483 HG13 VAL 90 -22.743 41.361 -36.112 1.00 42.13 ATOM 1484 CG2 VAL 90 -21.756 43.385 -37.675 1.00 64.13 ATOM 1485 HG21 VAL 90 -21.722 42.794 -38.577 1.00 60.34 ATOM 1486 HG22 VAL 90 -20.996 43.032 -36.994 1.00 72.32 ATOM 1487 HG23 VAL 90 -21.559 44.421 -37.916 1.00 62.12 ATOM 1488 C VAL 90 -24.231 43.313 -39.241 1.00 1.41 ATOM 1489 O VAL 90 -24.815 42.246 -39.428 1.00 2.45 ATOM 1490 N GLN 91 -23.599 43.972 -40.207 1.00 1.32 ATOM 1491 HN GLN 91 -23.147 44.824 -39.995 1.00 38.48 ATOM 1492 HA GLN 91 -24.568 43.439 -41.953 1.00 33.32 ATOM 1493 CB GLN 91 -22.723 44.397 -42.458 1.00 13.11 ATOM 1494 HB1 GLN 91 -23.076 45.409 -42.318 1.00 38.48 ATOM 1495 HB2 GLN 91 -22.870 44.122 -43.494 1.00 20.15 ATOM 1496 CG GLN 91 -21.237 44.369 -42.140 1.00 41.45 ATOM 1497 HG1 GLN 91 -21.096 44.256 -41.073 1.00 38.48 ATOM 1498 HG2 GLN 91 -20.802 45.305 -42.457 1.00 22.24 ATOM 1499 CD GLN 91 -20.510 43.243 -42.848 1.00 41.03 ATOM 1500 OE1 GLN 91 -20.012 42.314 -42.212 1.00 62.21 ATOM 1501 NE2 GLN 91 -20.445 43.320 -44.172 1.00 74.44 ATOM 1502 HE21 GLN 91 -20.861 44.086 -44.629 1.00 31.31 ATOM 1503 HE22 GLN 91 -19.979 42.601 -44.648 1.00 62.22 ATOM 1504 CA GLN 91 -23.556 43.467 -41.574 1.00 24.33 ATOM 1505 C GLN 91 -22.978 42.056 -41.614 1.00 63.12 ATOM 1506 OT1 GLN 91 -22.156 41.706 -40.737 1.00 38.48 ATOM 1507 OT2 GLN 91 -23.356 41.299 -42.533 1.00 38.48 ATOM 1508 OH2 TIP3 1 -27.818 13.936 12.711 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.840 14.121 13.650 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -27.128 14.505 12.370 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -28.255 13.503 15.633 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.742 12.768 15.262 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -27.706 13.110 16.311 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -27.529 30.262 -19.984 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.578 29.307 -20.021 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -28.355 30.530 -19.582 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.804 31.888 -21.197 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -32.406 31.333 -21.692 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.523 32.555 -21.823 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -30.534 32.142 -25.230 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -30.690 32.820 -25.887 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -29.602 32.214 -25.027 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -33.646 30.112 -18.653 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -33.997 29.256 -18.410 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -32.920 30.255 -18.046 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.255 32.359 -22.079 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.742 31.624 -22.450 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -27.706 31.966 -21.401 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -29.804 28.149 -17.441 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -30.670 28.044 -17.047 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -29.428 28.908 -16.994 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -36.430 32.185 -19.668 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -36.245 31.851 -18.790 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -35.583 32.494 -19.990 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -34.085 33.470 -20.424 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -33.408 32.838 -20.664 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -33.763 33.872 -19.616 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -36.161 33.530 -24.374 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -36.618 34.059 -25.028 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -35.998 34.133 -23.649 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -33.834 32.408 -23.429 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -34.738 32.573 -23.695 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -33.405 33.261 -23.495 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -31.229 33.978 -23.134 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -31.411 34.894 -23.345 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -31.053 33.568 -23.981 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -29.882 31.413 -19.271 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -30.664 31.227 -19.791 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -29.954 32.342 -19.054 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -31.693 27.493 -8.664 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -32.134 26.773 -8.214 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.706 28.214 -8.034 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -34.582 32.598 -8.452 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -33.962 31.921 -8.725 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -34.790 32.380 -7.544 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -27.955 20.066 -3.463 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -28.644 20.724 -3.558 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -27.940 19.869 -2.526 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -34.535 27.900 -11.342 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -34.831 27.578 -12.193 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -34.859 28.800 -11.300 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -31.181 29.333 -6.316 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -32.123 29.391 -6.155 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -30.905 30.239 -6.453 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -32.929 31.114 -9.691 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.504 30.407 -10.176 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -32.612 31.915 -10.108 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -31.770 29.015 -11.182 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -32.027 28.325 -11.794 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -31.699 28.572 -10.337 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -30.084 27.581 -2.705 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -29.944 26.990 -3.444 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -29.916 28.454 -3.061 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -28.242 23.921 -4.639 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -28.894 24.616 -4.550 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -27.777 24.131 -5.449 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.308 22.927 -2.913 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -32.228 23.690 -2.341 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -32.909 23.206 -3.604 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -33.884 29.655 -5.731 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -34.125 30.317 -5.083 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -34.082 28.821 -5.306 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -35.608 30.652 -10.861 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -35.134 30.947 -10.083 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -36.171 31.390 -11.094 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -28.446 30.031 -16.106 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -28.373 30.970 -15.936 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -27.541 29.726 -16.163 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -36.136 33.608 -12.446 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -36.211 33.487 -13.392 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -36.103 34.558 -12.327 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -30.377 21.755 -0.648 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -30.784 22.236 -1.368 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -30.336 20.850 -0.955 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -32.620 20.087 -2.427 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -33.134 19.961 -1.630 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -32.775 20.999 -2.672 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -30.299 25.745 -4.790 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -29.657 26.202 -5.333 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -31.129 25.858 -5.252 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -35.323 28.071 -14.551 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -35.618 28.897 -14.169 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -36.026 27.451 -14.355 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -33.679 29.258 -2.389 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -34.580 29.441 -2.657 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -33.645 29.517 -1.468 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -32.260 28.265 -15.736 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -31.907 27.885 -14.932 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -33.209 28.172 -15.650 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -31.804 31.888 -2.341 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -32.406 31.333 -2.836 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -31.523 32.555 -2.967 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -27.756 32.745 -15.535 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -27.013 33.331 -15.675 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -28.451 33.313 -15.202 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -31.394 26.938 -13.510 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -31.671 26.210 -12.954 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -30.467 27.057 -13.304 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -36.494 30.645 -14.084 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -37.311 31.142 -14.031 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -35.965 31.120 -14.724 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -39.156 31.688 -14.102 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -38.995 32.488 -14.603 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -39.353 31.995 -13.217 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -30.223 19.135 -2.092 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -31.139 19.398 -2.180 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.887 19.132 -2.989 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -36.131 31.240 -17.151 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -36.775 30.609 -16.829 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -35.369 30.709 -17.383 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -33.646 30.112 0.203 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -33.997 29.256 0.446 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -32.920 30.255 0.810 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -35.220 28.014 -17.324 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -35.488 28.194 -16.423 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -35.426 27.088 -17.455 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -32.523 26.509 -2.376 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -31.778 27.097 -2.496 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -33.280 27.091 -2.313 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -35.114 25.303 0.880 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -34.161 25.387 0.852 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -35.274 24.592 1.499 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -33.384 21.811 1.445 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -33.192 20.880 1.334 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -32.527 22.236 1.435 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -32.068 24.600 -0.477 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -32.349 25.309 -1.055 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -31.125 24.527 -0.628 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -38.454 33.873 -15.490 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -37.521 34.031 -15.346 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -38.718 34.548 -16.115 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -28.503 26.406 -13.071 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -27.653 26.827 -12.943 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -28.498 25.666 -12.463 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -28.109 24.459 -11.247 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -28.835 23.980 -10.849 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -27.528 24.665 -10.515 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -28.350 27.244 -6.299 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -27.516 26.866 -6.580 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -28.238 28.187 -6.418 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -27.841 24.360 -14.856 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -28.362 24.717 -15.575 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -27.874 25.035 -14.178 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -29.971 21.881 -4.010 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -30.814 22.149 -3.644 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -29.528 22.703 -4.221 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -27.688 15.861 1.344 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -27.338 15.207 0.738 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -27.541 16.698 0.904 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -28.168 17.970 -0.307 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -29.085 18.241 -0.343 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -28.045 17.435 -1.091 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -34.085 33.470 -1.568 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -33.408 32.838 -1.808 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -33.763 33.872 -0.760 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -36.161 33.530 -5.518 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -36.618 34.059 -6.172 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -35.998 34.133 -4.793 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -33.834 32.408 -4.573 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -34.738 32.573 -4.839 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -33.405 33.261 -4.639 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -35.809 33.099 -15.245 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -34.943 33.465 -15.423 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -36.056 32.659 -16.058 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -29.882 31.413 -0.415 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -30.664 31.227 -0.935 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -29.954 32.342 -0.198 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -31.693 27.493 10.192 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -32.134 26.773 10.642 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -31.706 28.214 10.822 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -28.347 18.588 13.157 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -28.298 19.198 13.893 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -27.921 19.049 12.434 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -27.955 20.066 15.393 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -28.644 20.724 15.298 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -27.940 19.869 16.330 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -31.228 18.904 10.278 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -31.443 18.138 10.810 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -30.572 19.376 10.791 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -31.181 29.333 12.540 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -32.123 29.391 12.701 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -30.905 30.239 12.403 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -30.881 17.619 13.957 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -31.617 18.230 13.919 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -30.197 18.034 13.431 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -32.929 31.114 9.165 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -32.504 30.407 8.680 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -32.612 31.915 8.748 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -31.770 29.015 7.674 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -32.027 28.325 7.062 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -31.699 28.572 8.519 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -30.084 27.581 16.151 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -29.944 26.990 15.412 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -29.916 28.454 15.795 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -32.205 24.753 6.875 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -32.937 24.981 7.448 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -31.758 24.039 7.330 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -33.334 23.915 4.560 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -32.755 24.065 5.307 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -32.920 24.386 3.837 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -27.529 30.262 17.728 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -27.578 29.307 17.691 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -28.355 30.530 18.130 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -33.034 32.762 3.413 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -32.659 32.018 2.942 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -33.030 32.492 4.331 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -33.365 32.688 6.162 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -34.300 32.788 6.341 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -33.085 31.979 6.740 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -30.377 21.755 18.208 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -30.784 22.236 17.488 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -30.336 20.850 17.901 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -31.857 24.948 2.190 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -31.815 24.725 1.260 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -31.008 25.346 2.380 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -30.299 25.745 14.066 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -29.657 26.202 13.523 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -31.129 25.858 13.604 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -32.833 21.293 5.140 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -31.941 21.156 5.459 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -32.776 22.084 4.603 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -27.984 27.303 17.671 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -28.836 27.541 17.304 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -27.394 27.286 16.918 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -29.652 30.289 5.299 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -30.025 29.463 5.609 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.375 30.106 4.402 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -32.492 25.097 12.321 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -33.420 24.865 12.294 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -32.041 24.320 11.991 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -32.260 28.265 3.120 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -31.907 27.885 3.924 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -33.209 28.172 3.206 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -27.756 32.745 3.321 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -27.013 33.331 3.181 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -28.451 33.313 3.654 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -31.394 26.938 5.346 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -31.671 26.210 5.902 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -30.467 27.057 5.552 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -30.223 19.135 16.764 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -31.139 19.398 16.676 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -29.887 19.132 15.867 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -31.621 22.886 10.860 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -32.418 22.471 10.531 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -31.176 22.195 11.351 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -30.534 32.142 12.482 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -30.690 32.820 11.825 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -29.602 32.214 12.685 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -31.527 31.057 1.939 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -31.244 30.263 2.392 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -30.787 31.290 1.378 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -35.220 28.014 1.532 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.488 28.194 2.433 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -35.426 27.088 1.401 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -27.818 32.792 12.711 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -27.840 32.977 13.650 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -27.128 33.361 12.370 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -28.255 32.359 15.633 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -28.742 31.624 15.262 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -27.706 31.966 16.311 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -29.804 28.149 20.271 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -30.670 28.044 20.665 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -29.428 28.908 20.718 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -29.863 30.122 14.864 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.511 30.447 15.489 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -30.381 29.682 14.189 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -30.322 22.980 8.172 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -30.472 22.035 8.152 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -30.676 23.261 9.016 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -29.466 24.950 17.811 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -28.883 24.216 18.002 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -28.902 25.722 17.857 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -27.969 22.853 18.495 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -28.832 22.474 18.330 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -27.365 22.114 18.421 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -30.244 19.008 1.668 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -29.634 18.636 2.305 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -31.081 18.586 1.864 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -30.612 20.563 6.634 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -30.332 19.656 6.759 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -29.853 20.997 6.245 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -30.000 21.144 12.070 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -29.067 21.356 12.036 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -30.235 21.246 12.993 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -29.971 21.881 14.846 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -30.814 22.149 15.212 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -29.528 22.703 14.635 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -27.688 15.861 20.200 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -27.338 15.207 19.594 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -27.541 16.698 19.760 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -29.998 17.826 6.683 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -29.816 17.377 7.508 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -30.598 17.241 6.219 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -28.168 17.970 18.549 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -29.085 18.241 18.513 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -28.045 17.435 17.765 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -28.132 17.893 3.211 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -27.719 17.172 2.735 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -27.450 18.563 3.269 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -31.080 32.882 8.283 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -30.427 32.535 7.675 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -30.569 33.371 8.929 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -29.167 16.060 16.368 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -29.980 16.385 15.980 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -28.934 15.300 15.835 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -30.595 15.616 10.803 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -29.991 16.164 10.302 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -31.464 15.936 10.563 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -28.868 16.755 9.137 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -28.256 16.241 8.610 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -28.485 17.633 9.160 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -35.809 33.099 3.611 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -34.943 33.465 3.433 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -36.056 32.659 2.798 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -29.882 31.413 18.441 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -30.664 31.227 17.921 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -29.954 32.342 18.658 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -28.446 30.031 21.606 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -28.373 30.970 21.776 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -27.541 29.726 21.549 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -28.962 25.537 20.666 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -29.235 25.112 19.853 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -28.922 26.468 20.449 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -27.841 24.360 22.856 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -28.362 24.717 22.137 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -27.874 25.035 23.534 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -28.132 17.893 22.067 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -27.719 17.172 21.591 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -27.450 18.563 22.125 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -28.347 37.444 -43.411 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -28.298 38.054 -42.675 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -27.921 37.905 -44.134 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -27.955 38.922 -41.175 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -28.644 39.580 -41.270 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -27.940 38.725 -40.238 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -31.181 48.189 -44.028 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -32.123 48.247 -43.867 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -30.905 49.095 -44.165 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -28.242 42.777 -42.351 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -28.894 43.472 -42.262 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -27.777 42.987 -43.161 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -32.308 41.783 -40.625 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -32.228 42.546 -40.053 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -32.909 42.062 -41.316 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -33.884 48.511 -43.443 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -34.125 49.173 -42.795 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -34.082 47.677 -43.018 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -39.313 47.407 -39.460 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -39.625 48.189 -39.004 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -39.963 47.254 -40.146 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -41.074 49.479 -38.696 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -41.066 49.343 -39.644 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -41.990 49.361 -38.444 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -36.550 48.692 -39.964 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -36.463 49.518 -39.489 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -37.414 48.362 -39.715 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -30.377 40.611 -38.360 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -30.784 41.092 -39.080 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -30.336 39.706 -38.667 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -32.620 38.943 -40.139 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -33.134 38.817 -39.342 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -32.775 39.855 -40.384 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -35.883 41.243 -38.055 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -36.446 40.539 -37.735 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -35.057 41.123 -37.588 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -34.717 42.152 -42.058 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -34.393 41.521 -42.701 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -35.157 41.617 -41.397 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -30.247 52.986 -37.733 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -30.047 53.410 -38.568 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -29.591 53.329 -37.126 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -30.299 44.601 -42.502 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -29.657 45.058 -43.045 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -31.129 44.714 -42.964 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -35.929 45.652 -40.051 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -36.275 45.271 -39.245 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -36.129 46.586 -39.980 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -38.299 42.741 -37.991 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -38.595 42.575 -38.886 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -37.368 42.521 -38.001 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -33.679 48.114 -40.101 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -34.580 48.297 -40.369 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -33.645 48.373 -39.180 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -32.492 43.953 -44.247 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -33.420 43.721 -44.274 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -32.041 43.176 -44.577 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -34.463 46.192 -42.522 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -34.889 45.965 -41.696 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -33.882 45.454 -42.705 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -31.804 50.744 -40.053 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -32.406 50.189 -40.548 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -31.523 51.411 -40.679 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -30.223 37.991 -39.804 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -31.139 38.254 -39.892 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -29.887 37.988 -40.701 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -40.223 50.588 -36.238 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -39.455 50.129 -35.897 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -40.244 50.362 -37.168 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -33.646 48.968 -37.509 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -33.997 48.112 -37.266 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -32.920 49.111 -36.902 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -38.258 45.449 -37.471 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -38.586 45.720 -38.329 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -38.106 44.508 -37.559 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -35.114 44.159 -36.832 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -34.161 44.243 -36.860 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -35.274 43.448 -36.213 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -37.800 42.852 -41.295 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -37.049 42.696 -41.868 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -38.139 43.704 -41.571 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -33.384 40.667 -36.267 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -33.192 39.736 -36.378 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -32.527 41.092 -36.277 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -34.596 38.318 -38.464 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -35.544 38.350 -38.332 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -34.284 37.693 -37.810 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -28.255 51.215 -40.935 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -28.742 50.480 -41.306 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -27.706 50.822 -40.257 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -28.350 46.100 -44.011 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -27.516 45.722 -44.292 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -28.238 47.043 -44.130 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -29.863 48.978 -41.704 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -30.511 49.303 -41.079 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -30.381 48.538 -42.379 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -30.000 40.000 -44.498 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -29.067 40.212 -44.532 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -30.235 40.102 -43.575 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -29.971 40.737 -41.722 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -30.814 41.005 -41.356 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -29.528 41.559 -41.933 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -28.168 36.826 -38.019 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -29.085 37.097 -38.055 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -28.045 36.291 -38.803 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -36.430 51.041 -38.524 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -36.245 50.707 -37.646 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -35.583 51.350 -38.846 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.085 52.326 -39.280 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -33.408 51.694 -39.520 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -33.763 52.728 -38.472 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -29.882 50.269 -38.127 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -30.664 50.083 -38.647 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -29.954 51.198 -37.910 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -35.399 43.410 -25.822 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -35.437 42.764 -25.117 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -35.722 42.944 -26.593 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -37.010 45.843 -25.416 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -36.706 45.157 -26.010 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -36.288 45.961 -24.798 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -28.347 37.444 -24.555 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -28.298 38.054 -23.819 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -27.921 37.905 -25.278 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -33.869 40.237 -25.088 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -33.726 39.290 -25.068 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -33.975 40.444 -26.017 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -32.992 38.469 -29.415 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -32.346 38.140 -28.790 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -32.482 38.987 -30.038 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -38.938 42.285 -27.838 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -38.322 41.759 -27.329 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -39.524 41.645 -28.242 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -39.335 44.932 -23.454 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -40.075 45.530 -23.351 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -38.621 45.486 -23.770 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -31.228 37.760 -27.434 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -31.443 36.994 -26.902 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -30.572 38.232 -26.921 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -40.927 46.896 -22.667 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -40.933 47.775 -23.045 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -41.781 46.813 -22.242 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -30.881 36.475 -23.755 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -31.617 37.086 -23.793 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -30.197 36.890 -24.281 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -35.557 41.857 -34.750 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -34.856 41.879 -34.099 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -35.255 41.229 -35.406 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -40.560 44.239 -28.954 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -40.890 43.869 -29.773 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -39.972 43.569 -28.608 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -39.193 47.667 -26.273 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -39.288 47.089 -27.030 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -38.464 47.296 -25.777 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -39.313 47.407 -20.604 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -39.625 48.189 -20.148 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -39.963 47.254 -21.290 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -41.074 49.479 -19.840 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -41.066 49.343 -20.788 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -41.990 49.361 -19.588 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -41.570 43.309 -31.365 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -41.862 44.077 -31.856 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -42.244 42.649 -31.528 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -27.529 49.118 -19.984 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -27.578 48.163 -20.021 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -28.355 49.386 -19.582 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -36.136 52.464 -31.302 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -36.211 52.343 -32.248 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -36.103 53.414 -31.183 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -33.034 51.618 -34.299 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -32.659 50.874 -34.770 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -33.030 51.348 -33.381 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -33.365 51.544 -31.550 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -34.300 51.644 -31.371 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -33.085 50.835 -30.972 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -35.946 35.187 -22.137 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -35.526 34.772 -21.384 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -36.879 35.009 -22.020 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -40.518 40.431 -24.416 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -41.160 40.390 -23.707 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -40.481 41.357 -24.654 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -34.985 41.068 -30.687 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -35.394 41.883 -30.979 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -34.265 40.928 -31.302 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.981 40.514 -27.873 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -34.176 41.119 -28.588 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -33.799 39.680 -28.308 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -39.458 39.708 -31.935 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -38.526 39.837 -31.757 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -39.673 40.378 -32.584 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -33.534 37.314 -25.154 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -34.211 37.445 -24.490 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.020 37.159 -25.964 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -40.784 40.903 -34.368 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -41.326 40.523 -35.059 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -39.950 41.097 -34.797 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -30.247 52.986 -18.877 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -30.047 53.410 -19.712 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -29.591 53.329 -18.270 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -36.619 40.867 -26.531 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -36.055 40.320 -27.078 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -36.767 40.345 -25.742 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -37.993 39.255 -24.117 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -38.828 39.709 -24.007 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -37.469 39.531 -23.365 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -33.551 38.282 -34.233 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -34.489 38.394 -34.384 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -33.254 39.139 -33.927 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -32.833 40.149 -32.572 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -31.941 40.012 -32.253 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -32.776 40.940 -33.109 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -38.299 42.741 -19.135 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -38.595 42.575 -20.030 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -37.368 42.521 -19.145 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -39.949 48.281 -29.258 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -39.422 49.054 -29.459 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -40.829 48.506 -29.560 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -38.522 45.944 -29.682 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -38.763 46.869 -29.640 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -39.262 45.485 -29.286 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -39.838 50.966 -30.137 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -40.788 51.071 -30.085 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -39.487 51.786 -29.792 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -27.756 51.601 -34.391 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -27.013 52.187 -34.531 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -28.451 52.169 -34.058 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -38.169 48.233 -36.145 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -37.930 47.485 -36.693 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -38.438 47.845 -35.313 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -42.779 45.056 -33.179 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -43.465 45.408 -32.612 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -42.256 45.819 -33.425 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -36.963 39.098 -30.968 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -36.151 39.602 -30.922 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -37.208 38.953 -30.054 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -39.156 50.544 -32.958 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -38.995 51.344 -33.459 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -39.353 50.851 -32.073 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -42.163 47.670 -34.282 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -41.571 48.369 -34.006 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -41.704 47.237 -35.001 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -40.223 50.588 -17.382 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -39.455 50.129 -17.041 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -40.244 50.362 -18.312 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -40.572 45.823 -35.916 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -40.508 45.029 -35.385 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -39.919 45.704 -36.605 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -38.258 45.449 -18.615 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -38.586 45.720 -19.473 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -38.106 44.508 -18.703 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -39.423 43.795 -33.610 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -39.882 43.311 -32.924 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -39.168 43.127 -34.246 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -40.134 41.688 -21.254 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -40.752 42.363 -20.973 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -39.790 42.009 -22.087 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -38.352 42.038 -35.347 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -38.532 41.884 -36.275 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -37.401 42.146 -35.303 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -39.794 39.043 -20.171 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -39.644 38.314 -20.774 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -39.792 39.820 -20.730 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -39.382 37.413 -22.679 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -38.846 37.864 -23.331 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -40.234 37.305 -23.101 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -37.800 42.852 -22.439 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -37.049 42.696 -23.012 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -38.139 43.704 -22.715 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -41.316 40.241 -18.260 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -42.083 39.709 -18.470 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -40.637 39.931 -18.859 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -38.576 34.869 -22.247 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -38.674 35.816 -22.353 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -39.319 34.497 -22.723 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -38.354 34.163 -19.576 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -37.642 33.523 -19.590 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -38.455 34.430 -20.490 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -38.001 35.846 -17.522 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -38.132 35.370 -18.343 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -38.600 36.590 -17.578 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -38.454 52.729 -34.346 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -37.521 52.887 -34.202 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -38.718 53.404 -34.971 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -28.255 51.215 -22.079 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -28.742 50.480 -22.450 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -27.706 50.822 -21.401 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -29.492 40.456 -35.161 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -29.395 41.123 -35.841 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -29.632 39.640 -35.643 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -30.244 37.864 -36.044 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -29.634 37.492 -35.407 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -31.081 37.442 -35.848 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -30.612 39.419 -31.078 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -30.332 38.512 -30.953 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -29.853 39.853 -31.467 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -27.688 34.717 -17.512 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -27.338 34.063 -18.118 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -27.541 35.554 -17.952 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -29.998 36.682 -31.029 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -29.816 36.233 -30.204 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -30.598 36.097 -31.493 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -28.132 36.749 -34.501 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -27.719 36.028 -34.977 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -27.450 37.419 -34.443 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -40.741 49.642 -22.627 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -41.166 50.451 -22.910 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -39.836 49.727 -22.929 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -29.167 34.916 -21.344 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -29.980 35.241 -21.732 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -28.934 34.156 -21.877 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -40.872 52.498 -23.550 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -41.737 52.570 -23.146 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -40.927 53.045 -24.334 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -31.229 52.834 -23.134 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -31.411 53.750 -23.345 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -31.053 52.424 -23.981 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -39.246 50.701 -26.166 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -39.033 49.813 -26.453 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -39.181 50.667 -25.211 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -35.737 36.365 -27.021 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -36.412 35.736 -26.766 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -35.173 35.881 -27.624 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -30.595 34.472 -26.909 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -29.991 35.020 -27.410 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -31.464 34.792 -27.149 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -28.868 35.611 -28.575 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -28.256 35.097 -29.102 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -28.485 36.489 -28.552 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -35.809 51.955 -34.101 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -34.943 52.321 -34.279 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -36.056 51.515 -34.914 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -29.100 51.518 -31.421 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -29.294 50.770 -31.986 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -29.139 52.276 -32.005 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -41.480 34.864 -18.146 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -40.581 34.590 -18.331 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -41.866 34.121 -17.682 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -29.882 50.269 -19.271 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -30.664 50.083 -19.791 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -29.954 51.198 -19.054 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -34.582 51.454 -8.452 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -33.962 50.777 -8.725 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -34.790 51.236 -7.544 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -37.010 45.843 -6.560 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -36.706 45.157 -7.154 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -36.288 45.961 -5.942 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -38.938 42.285 -8.982 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -38.322 41.759 -8.473 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -39.524 41.645 -9.386 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -34.535 46.756 -11.342 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -34.831 46.434 -12.193 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -34.859 47.656 -11.300 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -39.335 44.932 -4.598 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -40.075 45.530 -4.495 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -38.621 45.486 -4.914 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -37.878 34.562 -7.433 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -37.995 33.613 -7.487 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -38.733 34.894 -7.160 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -32.929 49.970 -9.691 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -32.504 49.263 -10.176 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -32.612 50.771 -10.108 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -31.770 47.871 -11.182 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -32.027 47.181 -11.794 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -31.699 47.428 -10.337 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -30.084 46.437 -2.705 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -29.944 45.846 -3.444 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -29.916 47.310 -3.061 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -35.611 43.399 -12.933 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -36.323 43.934 -13.284 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -34.920 43.455 -13.593 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -39.193 47.667 -7.417 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -39.288 47.089 -8.174 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -38.464 47.296 -6.921 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -40.193 43.008 -6.465 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -39.628 43.129 -7.228 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -39.874 43.645 -5.826 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -39.313 47.407 -1.748 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -39.625 48.189 -1.292 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -39.963 47.254 -2.434 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -35.608 49.508 -10.861 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -35.134 49.803 -10.083 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -36.171 50.246 -11.094 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -28.446 48.887 -16.106 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -28.373 49.826 -15.936 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -27.541 48.582 -16.163 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -36.550 48.692 -2.252 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -36.463 49.518 -1.777 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -37.414 48.362 -2.003 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -36.136 52.464 -12.446 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -36.211 52.343 -13.392 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -36.103 53.414 -12.327 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -33.034 51.618 -15.443 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.659 50.874 -15.914 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -33.030 51.348 -14.525 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -33.365 51.544 -12.694 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -34.300 51.644 -12.515 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -33.085 50.835 -12.116 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -35.946 35.187 -3.281 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -35.526 34.772 -2.528 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -36.879 35.009 -3.164 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -32.620 38.943 -2.427 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -33.134 38.817 -1.630 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -32.775 39.855 -2.672 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -40.521 40.652 -10.648 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -41.414 40.311 -10.707 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -40.070 40.275 -11.404 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -35.883 41.243 -0.343 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -36.446 40.539 -0.023 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -35.057 41.123 0.124 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -39.402 38.125 -16.895 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -39.833 37.680 -16.165 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -40.120 38.497 -17.407 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -37.939 38.079 -9.562 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -38.850 38.136 -9.273 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -37.434 38.019 -8.751 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -39.458 39.708 -13.079 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -38.526 39.837 -12.901 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -39.673 40.378 -13.728 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -40.784 40.903 -15.512 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -41.326 40.523 -16.203 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -39.950 41.097 -15.941 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -36.619 40.867 -7.675 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -36.055 40.320 -8.222 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -36.767 40.345 -6.886 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -37.993 39.255 -5.261 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -38.828 39.709 -5.151 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -37.469 39.531 -4.509 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -37.449 45.468 -13.576 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -38.193 44.961 -13.899 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -37.583 45.517 -12.630 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -35.929 45.652 -2.339 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -36.275 45.271 -1.533 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -36.129 46.586 -2.268 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -35.323 46.927 -14.551 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -35.618 47.753 -14.169 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -36.026 46.307 -14.355 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -38.299 42.741 -0.279 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -38.595 42.575 -1.174 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -37.368 42.521 -0.289 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -33.679 48.114 -2.389 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -34.580 48.297 -2.657 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -33.645 48.373 -1.468 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -27.984 46.159 -1.185 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -28.836 46.397 -1.552 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -27.394 46.142 -1.938 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -29.652 49.145 -13.557 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -30.025 48.319 -13.247 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -29.375 48.962 -14.454 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -38.522 45.944 -10.826 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -38.763 46.869 -10.784 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -39.262 45.485 -10.430 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -38.007 50.093 -4.511 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -37.644 50.948 -4.744 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -37.475 49.801 -3.770 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -32.260 47.121 -15.736 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -31.907 46.741 -14.932 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -33.209 47.028 -15.650 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -31.804 50.744 -2.341 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.406 50.189 -2.836 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -31.523 51.411 -2.967 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -27.756 51.601 -15.535 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -27.013 52.187 -15.675 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -28.451 52.169 -15.202 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -38.169 48.233 -17.289 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -37.930 47.485 -17.837 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -38.438 47.845 -16.457 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -39.232 47.803 -14.833 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -39.085 47.283 -14.043 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -39.235 48.710 -14.527 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -34.947 37.718 -4.044 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -34.249 37.792 -3.394 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -35.328 36.854 -3.889 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -36.494 49.501 -14.084 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -37.311 49.998 -14.031 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -35.965 49.976 -14.724 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -36.963 39.098 -12.112 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -36.151 39.602 -12.066 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -37.208 38.953 -11.198 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -36.427 40.084 -2.927 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -36.308 40.658 -2.170 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -35.772 39.396 -2.812 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -36.079 36.179 -11.174 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -36.426 36.797 -10.529 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -35.421 36.680 -11.655 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -39.156 50.544 -14.102 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -38.995 51.344 -14.603 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -39.353 50.851 -13.217 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -40.422 37.242 -14.486 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -40.505 38.131 -14.140 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -39.532 36.977 -14.255 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.534 50.998 -6.374 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -30.690 51.676 -7.031 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -29.602 51.070 -6.171 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -33.646 48.968 0.203 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -33.997 48.112 0.446 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -32.920 49.111 0.810 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -31.527 49.913 -16.917 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -31.244 49.119 -16.464 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -30.787 50.146 -17.478 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -40.572 45.823 -17.060 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -40.508 45.029 -16.529 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -39.919 45.704 -17.749 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -38.258 45.449 0.241 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -38.586 45.720 -0.617 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -38.106 44.508 0.153 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -39.423 43.795 -14.754 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -39.882 43.311 -14.068 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -39.168 43.127 -15.390 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -40.134 41.688 -2.398 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -40.752 42.363 -2.117 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -39.790 42.009 -3.231 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -38.352 42.038 -16.491 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -38.532 41.884 -17.419 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -37.401 42.146 -16.447 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -35.114 44.159 0.880 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -34.161 44.243 0.852 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -35.274 43.448 1.499 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -37.800 42.852 -3.583 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -37.049 42.696 -4.156 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -38.139 43.704 -3.859 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -32.068 43.456 -0.477 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -32.349 44.165 -1.055 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -31.125 43.383 -0.628 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -37.312 39.191 0.172 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -37.548 38.971 1.074 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -38.095 38.984 -0.337 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -34.596 38.318 -0.752 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -35.544 38.350 -0.620 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -34.284 37.693 -0.098 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -38.001 35.846 1.334 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -38.132 35.370 0.513 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -38.600 36.590 1.278 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -38.454 52.729 -15.490 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -37.521 52.887 -15.346 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -38.718 53.404 -16.115 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -27.818 51.648 -6.145 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -27.840 51.833 -5.206 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -27.128 52.217 -6.486 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -29.863 48.978 -3.992 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -30.511 49.303 -3.367 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -30.381 48.538 -4.667 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -29.466 43.806 -1.045 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -28.883 43.072 -0.854 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -28.902 44.578 -0.999 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -31.080 51.738 -10.573 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -30.427 51.391 -11.181 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -30.569 52.227 -9.927 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -33.834 51.264 -4.573 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -34.738 51.429 -4.839 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -33.405 52.117 -4.639 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -35.737 36.365 -8.165 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -36.412 35.736 -7.910 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -35.173 35.881 -8.768 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -38.831 34.926 -10.530 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -37.957 35.314 -10.560 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -38.967 34.711 -9.607 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -33.274 34.956 -8.881 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -33.198 35.051 -9.830 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -33.550 34.048 -8.752 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -37.687 37.006 -13.640 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -37.509 36.360 -12.957 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -37.741 37.840 -13.173 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -35.809 51.955 -15.245 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -34.943 52.321 -15.423 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -36.056 51.515 -16.058 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -29.100 51.518 -12.565 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -29.294 50.770 -13.130 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -29.139 52.276 -13.149 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -42.855 51.665 -16.617 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -43.123 51.952 -15.744 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -42.084 51.119 -16.465 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -33.058 34.196 0.892 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -32.982 33.770 1.746 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -32.165 34.210 0.550 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -32.992 38.469 8.297 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -32.346 38.140 8.922 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -32.482 38.987 7.674 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -35.557 41.857 2.962 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -34.856 41.879 3.613 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -35.255 41.229 2.306 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -33.334 42.771 4.560 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -32.755 42.921 5.307 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -32.920 43.242 3.837 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -29.636 34.521 4.373 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -30.535 34.660 4.668 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -29.384 35.352 3.971 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -31.857 43.804 2.190 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -31.815 43.581 1.260 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -31.008 44.202 2.380 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -36.284 37.680 2.860 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -36.538 37.699 3.783 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -36.541 36.808 2.559 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -34.985 41.068 7.025 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -35.394 41.883 6.733 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -34.265 40.928 6.410 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -32.833 40.149 5.140 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -31.941 40.012 5.459 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -32.776 40.940 4.603 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -27.948 40.359 4.834 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -28.502 39.963 4.162 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -27.847 41.269 4.557 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -34.163 37.370 5.909 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -33.943 37.842 5.106 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -33.605 37.765 6.580 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -35.220 46.870 1.532 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -35.488 47.050 2.433 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -35.426 45.944 1.401 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -28.962 44.393 1.810 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -29.235 43.968 0.997 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -28.922 45.324 1.593 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -27.841 43.216 4.000 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -28.362 43.573 3.281 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -27.874 43.891 4.678 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -30.322 41.836 8.172 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -30.472 40.891 8.152 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -30.676 42.117 9.016 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -30.612 39.419 6.634 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -30.332 38.512 6.759 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.853 39.853 6.245 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -29.998 36.682 6.683 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -29.816 36.233 7.508 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -30.598 36.097 6.219 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -30.595 34.472 10.803 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -29.991 35.020 10.302 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -31.464 34.792 10.563 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -28.868 35.611 9.137 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -28.256 35.097 8.610 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -28.485 36.489 9.160 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -31.921 34.982 5.668 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -32.624 35.596 5.458 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -32.366 34.144 5.799 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -38.354 53.019 -38.432 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -37.642 52.379 -38.446 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -38.455 53.286 -39.346 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -38.001 54.702 -36.378 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -38.132 54.226 -37.199 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -38.600 55.446 -36.434 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -27.688 53.573 -36.368 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -27.338 52.919 -36.974 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -27.541 54.410 -36.808 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -33.058 53.052 -36.820 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -32.982 52.626 -35.966 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -32.165 53.066 -37.162 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -28.347 56.300 -24.555 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -28.298 56.910 -23.819 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -27.921 56.761 -25.278 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -32.992 57.325 -29.415 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -32.346 56.996 -28.790 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -32.482 57.843 -30.038 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -31.228 56.616 -27.434 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -31.443 55.850 -26.902 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -30.572 57.088 -26.921 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -30.881 55.331 -23.755 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -31.617 55.942 -23.793 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -30.197 55.746 -24.281 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -37.878 53.418 -26.289 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -37.995 52.469 -26.343 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -38.733 53.750 -26.016 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.636 53.377 -33.339 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -30.535 53.516 -33.044 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -29.384 54.208 -33.741 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -40.609 54.321 -25.511 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -41.470 54.234 -25.919 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -40.631 55.177 -25.084 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -32.620 57.799 -21.283 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -33.134 57.673 -20.486 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -32.775 58.711 -21.528 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -33.534 56.170 -25.154 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -34.211 56.301 -24.490 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -34.020 56.015 -25.964 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -37.993 58.111 -24.117 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -38.828 58.565 -24.007 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -37.469 58.387 -23.365 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -34.947 56.574 -22.900 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -34.249 56.648 -22.250 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -35.328 55.710 -22.745 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -34.163 56.226 -31.803 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -33.943 56.698 -32.606 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -33.605 56.621 -31.132 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -36.427 58.940 -21.783 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -36.308 59.514 -21.026 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -35.772 58.252 -21.668 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -36.079 55.035 -30.030 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -36.426 55.653 -29.385 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -35.421 55.536 -30.511 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -30.223 56.847 -20.948 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -31.139 57.110 -21.036 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -29.887 56.844 -21.845 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -39.382 56.269 -22.679 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -38.846 56.720 -23.331 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -40.234 56.161 -23.101 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -38.576 53.725 -22.247 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -38.674 54.672 -22.353 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -39.319 53.353 -22.723 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -37.312 58.047 -18.684 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -37.548 57.827 -17.782 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -38.095 57.840 -19.193 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -34.596 57.174 -19.608 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -35.544 57.206 -19.476 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -34.284 56.549 -18.954 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -32.962 55.808 -17.603 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -33.059 54.856 -17.609 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -33.284 56.077 -16.742 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -38.001 54.702 -17.522 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -38.132 54.226 -18.343 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -38.600 55.446 -17.578 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -29.998 55.538 -31.029 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -29.816 55.089 -30.204 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -30.598 54.953 -31.493 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -29.167 53.772 -21.344 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -29.980 54.097 -21.732 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -28.934 53.012 -21.877 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -35.737 55.221 -27.021 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -36.412 54.592 -26.766 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -35.173 54.737 -27.624 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -28.868 54.467 -28.575 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -28.256 53.953 -29.102 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -28.485 55.345 -28.552 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -38.831 53.782 -29.386 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -37.957 54.170 -29.416 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -38.967 53.567 -28.463 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -31.921 53.838 -32.044 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -32.624 54.452 -32.254 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -32.366 53.000 -31.913 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -41.480 53.720 -18.146 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -40.581 53.446 -18.331 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -41.866 52.977 -17.682 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -36.284 56.536 -15.996 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -36.538 56.555 -15.073 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -36.541 55.664 -16.297 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -39.402 56.981 -16.895 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -39.833 56.536 -16.165 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -40.120 57.353 -17.407 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -33.551 57.138 -15.377 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -34.489 57.250 -15.528 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -33.254 57.995 -15.071 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -9.386 -32.647 14.217 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -10.038 -31.952 14.306 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -8.921 -32.437 13.407 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -8.673 -26.306 17.728 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -8.722 -27.261 17.691 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -9.499 -26.038 18.130 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -9.128 -29.265 17.671 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -9.980 -29.027 17.304 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -8.538 -29.282 16.918 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -8.962 -23.776 12.711 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -8.984 -23.591 13.650 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -8.272 -23.207 12.370 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -9.399 -24.209 15.633 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -9.886 -24.944 15.262 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -8.850 -24.602 16.311 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -9.494 -29.324 12.557 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -8.660 -29.702 12.276 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -9.382 -28.381 12.438 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -8.900 -23.823 22.177 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -8.157 -23.237 22.037 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -9.595 -23.255 22.510 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -12.837 -10.219 10.192 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -13.278 -10.939 10.642 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -12.850 -9.498 10.822 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -15.726 -5.114 10.404 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -15.106 -5.791 10.131 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -15.934 -5.332 11.312 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -9.491 -19.124 13.157 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -9.442 -18.514 13.893 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -9.065 -18.663 12.434 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -9.099 -17.646 15.393 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -9.788 -16.988 15.298 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -9.084 -17.843 16.330 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -12.325 -8.379 12.540 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -13.267 -8.321 12.701 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -12.049 -7.473 12.403 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -14.073 -6.598 9.165 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -13.648 -7.305 8.680 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -13.756 -5.797 8.748 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -11.228 -10.131 16.151 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -11.088 -10.722 15.412 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -11.060 -9.258 15.795 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -13.452 -14.785 15.943 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -13.372 -14.022 16.515 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -14.053 -14.506 15.252 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -15.028 -8.057 13.125 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -15.269 -7.395 13.773 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -15.226 -8.891 13.550 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -11.521 -15.957 18.208 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -11.928 -15.476 17.488 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -11.480 -16.862 17.901 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -11.443 -11.967 14.066 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -10.801 -11.510 13.523 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -12.273 -11.854 13.604 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -14.823 -8.454 16.467 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -15.724 -8.271 16.199 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -14.789 -8.195 17.388 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -13.636 -12.615 12.321 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -14.564 -12.847 12.294 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -13.185 -13.392 11.991 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -12.948 -5.824 16.515 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -13.550 -6.379 16.020 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -12.667 -5.157 15.889 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -12.765 -14.826 10.860 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -13.562 -15.241 10.531 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -12.320 -15.517 11.351 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -14.790 -7.600 19.059 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -15.141 -8.456 19.302 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -14.064 -7.457 19.666 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -13.667 -11.203 16.480 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -12.922 -10.615 16.360 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -14.424 -10.621 16.543 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -13.212 -13.112 18.379 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -13.493 -12.403 17.801 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -12.269 -13.185 18.228 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -10.948 -9.563 20.271 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -11.814 -9.668 20.665 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -10.572 -8.804 20.718 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -9.253 -13.253 7.609 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -9.979 -13.732 8.007 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -8.672 -13.047 8.341 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -11.007 -7.590 14.864 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -11.655 -7.265 15.489 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -11.525 -8.030 14.189 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -10.610 -12.762 17.811 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -10.027 -13.496 18.002 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -10.046 -11.990 17.857 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -9.113 -14.859 18.495 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -9.976 -15.238 18.330 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -8.509 -15.598 18.421 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -11.144 -16.568 12.070 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -10.211 -16.356 12.036 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -11.379 -16.466 12.993 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -11.115 -15.831 14.846 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -11.958 -15.563 15.212 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -10.672 -15.009 14.635 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -8.832 -21.851 20.200 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -8.482 -22.505 19.594 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -8.685 -21.014 19.760 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -9.312 -19.742 18.549 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -10.229 -19.471 18.513 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -9.189 -20.277 17.765 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -12.224 -4.830 8.283 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -11.571 -5.177 7.675 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -11.713 -4.341 8.929 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -17.574 -5.527 18.044 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -17.389 -5.861 18.922 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -16.727 -5.218 17.722 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -15.229 -4.242 17.288 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -14.552 -4.874 17.048 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -14.907 -3.840 18.096 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -10.311 -21.652 16.368 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -11.124 -21.327 15.980 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -10.078 -22.412 15.835 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -17.305 -4.182 13.338 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -17.762 -3.653 12.684 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -17.142 -3.579 14.063 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -14.978 -5.304 14.283 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -15.882 -5.139 14.017 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -14.549 -4.451 14.217 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -10.244 -5.050 6.291 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -10.438 -5.798 5.726 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -10.283 -4.292 5.707 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -11.026 -6.299 18.441 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -11.808 -6.485 17.921 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -11.098 -5.370 18.658 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -10.780 -22.047 23.229 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -11.679 -21.908 23.524 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -10.528 -21.216 22.827 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -14.178 -4.950 22.269 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -13.803 -5.694 21.798 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -14.174 -5.220 23.187 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -14.509 -5.024 25.018 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -15.444 -4.924 25.197 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -14.229 -5.733 25.596 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -9.092 -16.209 23.690 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -9.646 -16.605 23.018 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -8.991 -15.299 23.413 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -10.796 -7.423 24.155 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -11.169 -8.249 24.465 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -10.519 -7.606 23.258 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -13.404 -9.447 21.976 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -13.051 -9.827 22.780 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -14.353 -9.540 22.062 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -12.538 -10.774 24.202 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -12.815 -11.502 24.758 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -11.611 -10.655 24.408 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -12.671 -6.655 20.795 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -12.388 -7.449 21.248 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -11.931 -6.422 20.234 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -10.106 -12.175 20.666 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -10.379 -12.600 19.853 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -10.066 -11.244 20.449 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -9.647 -11.306 24.641 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -8.797 -10.885 24.769 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -9.642 -12.046 25.249 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -9.253 -13.253 26.465 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -9.979 -13.732 26.863 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -8.672 -13.047 27.197 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -8.985 -13.352 22.856 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -9.506 -12.995 22.137 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -9.018 -12.677 23.534 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -10.636 -16.112 21.407 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -10.539 -15.445 20.727 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -10.776 -16.928 20.925 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -11.388 -18.704 20.524 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -10.778 -19.076 21.161 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -12.225 -19.126 20.720 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -9.276 -19.819 22.067 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -8.863 -20.540 21.591 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -8.594 -19.149 22.125 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -16.953 -4.613 22.467 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -16.087 -4.247 22.289 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -17.200 -5.053 21.654 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -10.244 -5.050 25.147 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -10.438 -5.798 24.582 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -10.283 -4.292 24.563 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -12.325 10.477 -6.316 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -13.267 10.535 -6.155 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -12.049 11.383 -6.453 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -15.028 10.799 -5.731 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -15.269 11.461 -5.083 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -15.226 9.965 -5.306 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -8.673 11.406 -1.128 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -8.722 10.451 -1.165 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -9.499 11.674 -0.726 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -14.823 10.402 -2.389 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -15.724 10.585 -2.657 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -14.789 10.661 -1.468 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -12.948 13.032 -2.341 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -13.550 12.477 -2.836 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -12.667 13.699 -2.967 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -8.900 13.889 -15.535 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -8.157 14.475 -15.675 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -9.595 14.457 -15.202 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -11.678 13.286 -6.374 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -11.834 13.964 -7.031 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -10.746 13.358 -6.171 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -14.790 11.256 0.203 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -15.141 10.400 0.446 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -14.064 11.399 0.810 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -8.962 13.936 -6.145 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -8.984 14.121 -5.206 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -8.272 14.505 -6.486 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -11.007 11.266 -3.992 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -11.655 11.591 -3.367 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -11.525 10.826 -4.667 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -12.224 14.026 -10.573 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -11.571 13.679 -11.181 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -11.713 14.515 -9.927 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -17.574 13.329 -0.812 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -17.389 12.995 0.066 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -16.727 13.638 -1.134 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -15.229 14.614 -1.568 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -14.552 13.982 -1.808 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -14.907 15.016 -0.760 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -24.483 15.186 -3.724 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -25.203 15.626 -4.175 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -24.849 14.935 -2.875 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -17.305 14.674 -5.518 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -17.762 15.203 -6.172 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -17.142 15.277 -4.793 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -14.978 13.552 -4.573 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -15.882 13.717 -4.839 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -14.549 14.405 -4.639 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -10.244 13.806 -12.565 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -10.438 13.058 -13.130 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -10.283 14.564 -13.149 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -11.026 12.557 -0.415 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -11.808 12.371 -0.935 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -11.098 13.486 -0.198 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -15.726 13.742 10.404 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -15.106 13.065 10.131 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -15.934 13.524 11.312 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -20.082 4.573 9.874 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -19.466 4.047 10.383 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -20.668 3.933 9.470 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -20.479 7.220 14.258 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -21.219 7.818 14.361 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -19.765 7.774 13.942 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -19.022 -3.150 11.423 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -19.139 -4.099 11.369 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -19.877 -2.818 11.696 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -16.755 5.687 5.923 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -17.467 6.222 5.572 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -16.064 5.743 5.263 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -13.349 5.897 6.875 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -14.081 6.125 7.448 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -12.902 5.183 7.330 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -21.704 6.527 8.758 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -22.034 6.157 7.939 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -21.116 5.857 9.104 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -20.337 9.955 11.439 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -20.432 9.377 10.682 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -19.608 9.584 11.935 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -21.337 5.296 12.391 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -20.772 5.417 11.628 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -21.018 5.933 13.030 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -20.457 9.695 17.108 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -20.769 10.477 17.564 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -21.107 9.542 16.422 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -14.478 5.059 4.560 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -13.899 5.209 5.307 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -14.064 5.530 3.837 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -16.752 11.796 7.995 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -16.278 12.091 8.773 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -17.315 12.534 7.762 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -22.218 11.767 17.872 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -22.210 11.631 16.924 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -23.134 11.649 18.124 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -17.694 10.980 16.604 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -17.607 11.806 17.079 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -18.558 10.650 16.853 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -17.280 14.752 6.410 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -17.355 14.631 5.464 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -17.247 15.702 6.529 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -23.626 13.541 8.191 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -23.474 13.193 9.070 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -24.477 13.185 7.936 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -14.178 13.906 3.413 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -13.803 13.162 2.942 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -14.174 13.636 4.331 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -14.509 13.832 6.162 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -15.444 13.932 6.341 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -14.229 13.123 6.740 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -17.090 -2.525 15.575 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -16.670 -2.940 16.328 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -18.023 -2.703 15.692 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -13.764 1.231 16.429 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -14.278 1.105 17.226 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -13.919 2.143 16.184 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -13.001 6.092 2.190 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -12.959 5.869 1.260 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -12.152 6.490 2.380 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -16.129 3.356 7.025 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -16.538 4.171 6.733 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -15.409 3.216 6.410 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -17.027 3.531 18.513 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -17.590 2.827 18.833 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -16.201 3.411 18.980 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -19.083 0.367 9.294 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -19.994 0.424 9.583 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -18.578 0.307 10.105 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -17.763 3.155 11.181 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -17.199 2.608 10.634 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -17.911 2.633 11.970 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -19.137 1.543 13.595 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -19.972 1.997 13.705 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -18.613 1.819 14.347 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -18.593 7.756 5.280 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -19.337 7.249 4.957 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -18.727 7.805 6.226 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -17.073 7.940 16.517 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -17.419 7.559 17.323 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -17.273 8.874 16.588 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -13.977 2.437 5.140 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -13.085 2.300 5.459 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -13.920 3.228 4.603 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -16.467 9.215 4.305 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -16.762 10.041 4.687 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -17.170 8.595 4.501 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -9.092 2.647 4.834 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -9.646 2.251 4.162 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -8.991 3.557 4.557 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -10.796 11.433 5.299 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -11.169 10.607 5.609 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -10.519 11.250 4.402 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -21.093 10.569 8.454 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -20.566 11.342 8.253 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -21.973 10.794 8.152 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -19.666 8.232 8.030 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -19.907 9.157 8.072 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -20.406 7.773 8.426 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -19.151 12.381 14.345 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -18.788 13.236 14.112 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -18.619 12.089 15.086 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -20.982 13.254 7.575 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -21.932 13.359 7.627 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -20.631 14.074 7.920 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -13.404 9.409 3.120 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -13.051 9.029 3.924 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -14.353 9.316 3.206 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -8.900 13.889 3.321 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -8.157 14.475 3.181 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -9.595 14.457 3.654 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -12.538 8.082 5.346 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -12.815 7.354 5.902 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -11.611 8.201 5.552 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -25.175 12.070 14.357 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -24.958 11.138 14.326 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -24.928 12.344 15.241 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -16.091 0.006 14.812 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -15.393 0.080 15.462 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -16.472 -0.858 14.967 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -15.307 -0.342 5.909 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -15.087 0.130 5.106 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -14.749 0.053 6.580 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -17.638 11.789 4.772 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -18.455 12.286 4.825 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -17.109 12.264 4.132 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -18.107 1.386 6.744 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -17.295 1.890 6.790 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -18.352 1.241 7.658 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -17.571 2.372 15.929 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -17.452 2.946 16.686 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -16.916 1.684 16.044 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -17.223 -1.533 7.682 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -17.570 -0.915 8.327 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -16.565 -1.032 7.201 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -25.964 13.957 18.710 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -25.424 13.740 19.469 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -26.445 13.151 18.520 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -21.367 12.876 20.330 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -20.599 12.417 20.671 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -21.388 12.650 19.400 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -17.275 12.384 1.705 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -17.919 11.753 2.027 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -16.513 11.853 1.473 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -12.671 12.201 1.939 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -12.388 11.407 2.392 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -11.931 12.434 1.378 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -16.258 6.447 19.736 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -15.305 6.531 19.708 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -16.418 5.736 20.355 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -20.526 -0.299 15.033 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -19.990 0.152 14.381 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -21.378 -0.407 14.611 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -18.944 5.140 15.273 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -18.193 4.984 14.700 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -19.283 5.992 14.997 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -14.528 2.955 20.301 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -14.336 2.024 20.190 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -13.671 3.380 20.291 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -15.740 0.606 18.104 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -16.688 0.638 18.236 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -15.428 -0.019 18.758 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -14.106 -0.760 20.109 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -14.203 -1.712 20.103 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -14.428 -0.491 20.970 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -19.598 15.017 3.366 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -18.665 15.175 3.510 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -19.862 15.692 2.741 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -27.381 15.046 7.926 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -28.028 14.584 7.393 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -27.026 14.374 8.509 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -26.511 13.127 9.731 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -26.845 12.246 9.903 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -26.289 13.472 10.595 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -9.647 7.550 5.785 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -8.797 7.971 5.913 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -9.642 6.810 6.393 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -9.253 5.603 7.609 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -9.979 5.124 8.007 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -8.672 5.809 8.341 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -8.985 5.504 4.000 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -9.506 5.861 3.281 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -9.018 6.179 4.678 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -11.756 1.707 6.634 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -11.476 0.800 6.759 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -10.997 2.141 6.245 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -11.142 -1.030 6.683 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -10.960 -1.479 7.508 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -11.742 -1.615 6.219 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -12.224 14.026 8.283 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -11.571 13.679 7.675 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -11.713 14.515 8.929 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.885 11.930 15.085 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -22.310 12.739 14.802 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -20.980 12.015 14.783 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -24.483 15.186 15.132 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -25.203 15.626 14.681 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -24.849 14.935 15.981 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -22.016 14.786 14.162 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -22.881 14.858 14.566 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -22.071 15.333 13.378 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -17.305 14.674 13.338 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -17.762 15.203 12.684 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -17.142 15.277 14.063 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -25.068 13.809 12.043 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -25.087 13.384 12.900 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -24.263 13.491 11.634 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -22.927 12.519 10.698 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -23.146 11.603 10.867 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -22.103 12.659 11.164 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -20.390 12.989 11.546 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.177 12.101 11.259 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -20.325 12.955 12.501 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -16.881 -1.347 10.691 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -17.556 -1.976 10.946 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -16.317 -1.831 10.088 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -11.739 -3.240 10.803 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -11.135 -2.692 10.302 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -12.608 -2.920 10.563 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -10.012 -2.101 9.137 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -9.400 -2.615 8.610 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -9.629 -1.223 9.160 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -14.418 -2.756 9.975 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -14.342 -2.661 9.026 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -14.694 -3.664 10.104 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -13.065 -2.730 5.668 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -13.768 -2.116 5.458 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -13.510 -3.568 5.799 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -16.953 14.243 3.611 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -16.087 14.609 3.433 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -17.200 13.803 2.798 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -10.244 13.806 6.291 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -10.438 13.058 5.726 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -10.283 14.564 5.707 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -14.202 -3.516 19.748 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -14.126 -3.942 20.602 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -13.309 -3.502 19.406 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -15.726 13.742 29.260 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -15.106 13.065 28.987 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -15.934 13.524 30.168 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -16.701 4.145 21.818 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -16.000 4.167 22.469 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -16.399 3.517 21.162 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -16.752 11.796 26.851 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -16.278 12.091 27.629 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -17.315 12.534 26.618 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -9.590 11.175 21.606 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -9.517 12.114 21.776 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -8.685 10.870 21.549 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -23.626 13.541 27.047 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -23.474 13.193 27.926 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -24.477 13.185 26.792 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -14.509 13.832 25.018 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -15.444 13.932 25.197 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -14.229 13.123 25.596 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -13.001 6.092 21.046 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -12.959 5.869 20.116 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -12.152 6.490 21.236 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -17.428 -0.032 21.716 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -17.682 -0.013 22.639 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -17.685 -0.904 21.415 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -14.695 0.570 22.335 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -15.633 0.682 22.184 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -14.398 1.427 22.641 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -13.977 2.437 23.996 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -13.085 2.300 24.315 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -13.920 3.228 23.459 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -16.467 9.215 23.161 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -16.762 10.041 23.543 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -17.170 8.595 23.357 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -9.092 2.647 23.690 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -9.646 2.251 23.018 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -8.991 3.557 23.413 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -10.796 11.433 24.155 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -11.169 10.607 24.465 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -10.519 11.250 23.258 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -20.982 13.254 26.431 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -21.932 13.359 26.483 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -20.631 14.074 26.776 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -13.404 9.409 21.976 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -13.051 9.029 22.780 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -14.353 9.316 22.062 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -8.900 13.889 22.177 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -8.157 14.475 22.037 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -9.595 14.457 22.510 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -12.538 8.082 24.202 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -12.815 7.354 24.758 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -11.611 8.201 24.408 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -19.313 10.521 20.423 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -19.074 9.773 19.875 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -19.582 10.133 21.255 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -20.376 10.091 22.879 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -20.229 9.571 23.669 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -20.379 10.998 23.185 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -15.307 -0.342 24.765 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -15.087 0.130 23.962 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -14.749 0.053 25.436 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -17.638 11.789 23.628 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -18.455 12.286 23.681 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -17.109 12.264 22.988 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -20.300 12.832 23.610 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -20.139 13.632 23.109 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -20.497 13.139 24.495 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -16.364 9.158 20.388 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -16.632 9.338 21.289 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -16.570 8.232 20.257 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -9.647 7.550 24.641 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -8.797 7.971 24.769 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -9.642 6.810 25.249 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -8.985 5.504 22.856 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -9.506 5.861 22.137 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -9.018 6.179 23.534 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -10.636 2.744 21.407 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -10.539 3.411 20.727 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -10.776 1.928 20.925 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -11.756 1.707 25.490 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -11.476 0.800 25.615 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -10.997 2.141 25.101 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -11.142 -1.030 25.539 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -10.960 -1.479 26.364 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -11.742 -1.615 25.075 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -12.224 14.026 27.139 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -11.571 13.679 26.531 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -11.713 14.515 27.785 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -17.305 14.674 32.194 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -17.762 15.203 31.540 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -17.142 15.277 32.919 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -20.390 12.989 30.402 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -20.177 12.101 30.115 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -20.325 12.955 31.357 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -13.065 -2.730 24.524 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -13.768 -2.116 24.314 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -13.510 -3.568 24.655 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -10.244 13.806 25.147 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -10.438 13.058 24.582 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -10.283 14.564 24.563 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -23.999 13.953 21.095 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.267 14.240 21.968 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -23.228 13.407 21.247 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -24.483 34.042 -41.436 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -25.203 34.482 -41.887 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -24.849 33.791 -40.587 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -22.016 33.642 -42.406 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -22.881 33.714 -42.002 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -22.071 34.189 -43.190 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -25.964 32.813 -19.002 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -25.424 32.596 -18.243 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -26.445 32.007 -19.192 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -21.367 31.732 -17.382 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -20.599 31.273 -17.041 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.388 31.506 -18.312 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -26.057 26.623 -18.048 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -25.913 25.721 -18.334 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -26.830 26.909 -18.536 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -10.948 28.149 -17.441 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -11.814 28.044 -17.047 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -10.572 28.908 -16.994 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -24.483 34.042 -22.580 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -25.203 34.482 -23.031 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -24.849 33.791 -21.731 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -26.641 22.279 -11.445 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -27.089 23.125 -11.463 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -27.202 21.699 -11.960 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -25.931 24.441 -9.319 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -25.717 23.671 -8.792 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -25.193 24.530 -9.922 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -21.858 19.482 -8.960 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -21.815 20.342 -9.378 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -22.316 18.930 -9.593 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -14.136 19.613 -10.559 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -13.490 19.284 -9.934 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -13.626 20.131 -11.182 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -25.238 21.879 -8.198 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -24.584 21.329 -7.766 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -25.214 21.605 -9.114 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -20.082 23.429 -8.982 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -19.466 22.903 -8.473 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -20.668 22.789 -9.386 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -23.048 18.400 -4.886 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -23.267 18.930 -5.652 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -23.716 18.627 -4.238 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -23.454 20.292 -6.933 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -22.841 20.925 -6.560 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -22.942 19.820 -7.590 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -16.755 24.543 -12.933 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -17.467 25.078 -13.284 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -16.064 24.599 -13.593 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -16.701 23.001 -15.894 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -16.000 23.023 -15.243 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -16.399 22.373 -16.550 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -14.478 23.915 -14.296 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -13.899 24.065 -13.549 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -14.064 24.386 -15.019 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -16.752 30.652 -10.861 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -16.278 30.947 -10.083 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -17.315 31.390 -11.094 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -10.780 15.665 -14.483 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -11.679 15.804 -14.188 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -10.528 16.496 -14.885 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -22.714 24.453 -12.509 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -23.006 25.221 -13.000 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -23.388 23.793 -12.672 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -9.590 30.031 -16.106 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -9.517 30.970 -15.936 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -8.685 29.726 -16.163 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -17.280 33.608 -12.446 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -17.355 33.487 -13.392 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -17.247 34.558 -12.327 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -14.178 32.762 -15.443 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -13.803 32.018 -15.914 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -14.174 32.492 -14.525 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -14.509 32.688 -12.694 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -15.444 32.788 -12.515 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -14.229 31.979 -12.116 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -17.090 16.331 -3.281 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -16.670 15.916 -2.528 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -18.023 16.153 -3.164 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -13.001 24.948 -16.666 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -12.959 24.725 -17.596 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -12.152 25.346 -16.476 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -21.665 21.796 -10.648 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -22.558 21.455 -10.707 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -21.214 21.419 -11.404 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -16.129 22.212 -11.831 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -16.538 23.027 -12.123 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -15.409 22.072 -12.446 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -19.083 19.223 -9.562 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -19.994 19.280 -9.273 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -18.578 19.163 -8.751 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -17.763 22.011 -7.675 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -17.199 21.464 -8.222 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -17.911 21.489 -6.886 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -19.137 20.399 -5.261 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -19.972 20.853 -5.151 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -18.613 20.675 -4.509 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -18.593 26.612 -13.576 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -19.337 26.105 -13.899 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -18.727 26.661 -12.630 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -13.977 21.293 -13.716 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -13.085 21.156 -13.397 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -13.920 22.084 -14.253 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -16.467 28.071 -14.551 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -16.762 28.897 -14.169 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -17.170 27.451 -14.355 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -9.092 21.503 -14.022 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -9.646 21.107 -14.694 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -8.991 22.413 -14.299 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -25.338 24.287 -15.815 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -24.722 24.914 -15.436 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -26.200 24.603 -15.544 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -13.404 28.265 -15.736 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -13.051 27.885 -14.932 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -14.353 28.172 -15.650 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -8.900 32.745 -15.535 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -8.157 33.331 -15.675 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -9.595 33.313 -15.202 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -24.826 19.121 -2.934 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -25.719 19.460 -3.001 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -24.925 18.266 -2.516 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -19.313 29.377 -17.289 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -19.074 28.629 -17.837 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -19.582 28.989 -16.457 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -20.376 28.947 -14.833 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -20.229 28.427 -14.043 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -20.379 29.854 -14.527 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -23.923 26.200 -14.323 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -24.609 26.552 -13.756 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -23.400 26.963 -14.569 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -17.638 30.645 -14.084 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -18.455 31.142 -14.031 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -17.109 31.120 -14.724 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -17.223 17.323 -11.174 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -17.570 17.941 -10.529 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -16.565 17.824 -11.655 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -20.300 31.688 -14.102 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -20.139 32.488 -14.603 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -20.497 31.995 -13.217 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -23.307 28.814 -15.426 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -22.715 29.513 -15.150 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -22.848 28.381 -16.145 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -12.671 31.057 -16.917 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -12.388 30.263 -16.464 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -11.931 31.290 -17.478 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -21.716 26.967 -17.060 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -21.652 26.173 -16.529 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -21.063 26.848 -17.749 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -20.567 24.939 -14.754 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -21.026 24.455 -14.068 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -20.312 24.271 -15.390 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -10.106 25.537 -17.046 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -10.379 25.112 -17.859 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -10.066 26.468 -17.263 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -20.526 18.557 -3.823 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -19.990 19.008 -4.475 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -21.378 18.449 -4.245 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -19.720 16.013 -3.391 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -19.818 16.960 -3.497 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -20.463 15.641 -3.867 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -19.498 15.307 -0.720 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -18.786 14.667 -0.734 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -19.599 15.574 -1.634 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -19.145 16.990 1.334 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -19.276 16.514 0.513 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -19.744 17.734 1.278 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -19.598 33.873 -15.490 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -18.665 34.031 -15.346 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -19.862 34.548 -16.115 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -26.030 28.509 -16.007 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -25.116 28.588 -15.734 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -26.023 27.822 -16.674 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -8.985 24.360 -14.856 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -9.506 24.717 -15.575 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -9.018 25.035 -14.178 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -10.636 21.600 -16.305 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -10.539 22.267 -16.985 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -10.776 20.784 -16.787 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -26.431 25.058 -6.674 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -26.247 24.976 -7.609 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -25.582 24.934 -6.250 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -11.756 20.563 -12.222 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -11.476 19.656 -12.097 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -10.997 20.997 -12.611 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -8.832 15.861 1.344 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -8.482 15.207 0.738 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -8.685 16.698 0.904 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -11.142 17.826 -12.173 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -10.960 17.377 -11.348 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -11.742 17.241 -12.637 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -27.308 21.640 -6.573 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -26.816 21.419 -7.363 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -26.946 22.481 -6.292 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -9.276 17.893 -15.645 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -8.863 17.172 -16.121 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -8.594 18.563 -15.587 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -27.031 16.636 -4.174 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -27.696 16.390 -3.531 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -27.474 17.258 -4.751 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -16.881 17.509 -8.165 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -17.556 16.880 -7.910 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -16.317 17.025 -8.768 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -11.739 15.616 -8.053 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -11.135 16.164 -8.554 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -12.608 15.936 -8.293 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -14.418 16.100 -8.881 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -14.342 16.195 -9.830 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -14.694 15.192 -8.752 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -13.065 16.126 -13.188 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -13.768 16.740 -13.398 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -13.510 15.288 -13.057 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -25.817 31.889 -13.642 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -26.502 31.851 -14.310 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -25.814 32.802 -13.354 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -16.953 33.099 -15.245 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -16.087 33.465 -15.423 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -17.200 32.659 -16.058 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -24.597 16.657 -0.826 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -24.963 15.892 -0.383 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -23.684 16.686 -0.539 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -22.624 16.008 0.710 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -21.725 15.734 0.525 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -23.010 15.265 1.174 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -23.999 32.809 -16.617 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -24.267 33.096 -15.744 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -23.228 32.263 -16.465 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -14.202 15.340 0.892 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -14.126 14.914 1.746 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -13.309 15.354 0.550 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -9.099 20.066 15.393 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -9.788 20.724 15.298 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -9.084 19.869 16.330 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -12.325 29.333 12.540 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -13.267 29.391 12.701 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -12.049 30.239 12.403 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -19.022 15.706 11.423 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -19.139 14.757 11.369 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -19.877 16.038 11.696 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -11.228 27.581 16.151 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -11.088 26.990 15.412 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -11.060 28.454 15.795 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -9.386 23.921 14.217 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -10.038 24.616 14.306 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -8.921 24.131 13.407 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -13.452 22.927 15.943 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -13.372 23.690 16.515 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -14.053 23.206 15.252 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -15.028 29.655 13.125 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.269 30.317 13.773 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -15.226 28.821 13.550 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -10.780 15.665 4.373 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -11.679 15.804 4.668 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -10.528 16.496 3.971 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -17.694 29.836 16.604 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -17.607 30.662 17.079 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -18.558 29.506 16.853 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -11.521 21.755 18.208 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -11.928 22.236 17.488 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -11.480 20.850 17.901 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -26.029 19.757 4.437 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -25.555 20.348 3.852 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -26.747 20.288 4.784 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -15.861 23.296 14.510 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -15.537 22.665 13.867 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -16.301 22.761 15.171 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -11.443 25.745 14.066 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -10.801 26.202 13.523 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -12.273 25.858 13.604 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -14.823 29.258 16.467 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -15.724 29.441 16.199 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -14.789 29.517 17.388 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -19.151 31.237 14.345 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -18.788 32.092 14.112 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -18.619 30.945 15.086 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -15.607 27.336 14.046 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -16.033 27.109 14.872 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -15.026 26.598 13.863 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -21.566 18.386 4.370 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -21.649 19.275 4.716 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -20.676 18.121 4.601 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.678 32.142 12.482 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -11.834 32.820 11.825 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -10.746 32.214 12.685 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -24.183 16.260 11.219 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -24.412 16.319 10.292 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -24.626 15.468 11.526 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -25.964 32.813 18.710 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -25.424 32.596 19.469 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -26.445 32.007 18.520 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -21.367 31.732 20.330 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -20.599 31.273 20.671 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -21.388 31.506 19.400 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -14.790 30.112 19.059 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -15.141 29.256 19.302 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -14.064 30.255 19.666 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -26.057 26.623 19.664 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -25.913 25.721 19.378 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -26.830 26.909 19.176 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -13.667 26.509 16.480 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -12.922 27.097 16.360 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -14.424 27.091 16.543 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -13.212 24.600 18.379 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -13.493 25.309 17.801 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -12.269 24.527 18.228 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -19.720 16.013 15.465 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -19.818 16.960 15.359 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -20.463 15.641 14.989 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -8.962 32.792 12.711 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -8.984 32.977 13.650 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -8.272 33.361 12.370 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -9.399 32.359 15.633 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -9.886 31.624 15.262 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -8.850 31.966 16.311 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -9.494 27.244 12.557 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -8.660 26.866 12.276 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -9.382 28.187 12.438 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -11.007 30.122 14.864 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -11.655 30.447 15.489 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -11.525 29.682 14.189 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -10.610 24.950 17.811 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -10.027 24.216 18.002 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -10.046 25.722 17.857 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -9.113 22.853 18.495 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -9.976 22.474 18.330 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -8.509 22.114 18.421 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -11.115 21.881 14.846 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -11.958 22.149 15.212 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -10.672 22.703 14.635 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -26.833 20.329 18.323 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -25.914 20.207 18.559 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -27.283 19.579 18.712 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -8.832 15.861 20.200 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -8.482 15.207 19.594 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -8.685 16.698 19.760 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -9.312 17.970 18.549 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -10.229 18.241 18.513 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -9.189 17.435 17.765 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -9.276 17.893 3.211 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -8.863 17.172 2.735 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -8.594 18.563 3.269 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -26.995 17.898 6.338 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -27.920 18.107 6.208 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -26.541 18.382 5.648 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -27.031 16.636 14.682 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -27.696 16.390 15.325 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -27.474 17.258 14.105 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -17.574 32.185 18.044 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -17.389 31.851 18.922 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -16.727 32.494 17.722 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -24.483 34.042 15.132 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -25.203 34.482 14.681 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -24.849 33.791 15.981 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -22.016 33.642 14.162 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -22.881 33.714 14.566 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -22.071 34.189 13.378 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -17.305 33.530 13.338 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -17.762 34.059 12.684 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -17.142 34.133 14.063 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -14.978 32.408 14.283 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -15.882 32.573 14.017 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -14.549 33.261 14.217 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -12.373 33.978 14.578 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -12.555 34.894 14.367 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -12.197 33.568 13.731 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -16.881 17.509 10.691 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -17.556 16.880 10.946 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -16.317 17.025 10.088 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -24.555 16.143 8.513 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -25.332 15.909 8.005 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -24.024 15.346 8.521 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -25.718 15.941 4.316 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -25.279 16.552 3.725 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -26.352 16.479 4.790 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -19.975 16.070 8.326 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -19.101 16.458 8.296 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -20.111 15.855 9.249 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -14.418 16.100 9.975 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -14.342 16.195 9.026 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -14.694 15.192 10.104 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -23.857 17.857 2.759 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -23.366 17.227 2.231 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -23.234 18.153 3.422 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -22.624 16.008 19.566 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -21.725 15.734 19.381 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -23.010 15.265 20.030 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -15.476 25.299 27.327 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -15.387 26.243 27.195 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -16.115 25.024 26.669 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -15.013 21.381 31.480 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -14.870 20.434 31.500 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -15.119 21.588 30.551 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -21.858 19.482 28.752 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -21.815 20.342 28.334 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -22.316 18.930 28.119 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -14.136 19.613 27.153 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -13.490 19.284 27.778 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -13.626 20.131 26.530 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -20.082 23.429 28.730 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -19.466 22.903 29.239 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -20.668 22.789 28.326 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -12.372 18.904 29.134 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -12.587 18.138 29.666 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -11.716 19.376 29.647 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -23.454 20.292 30.779 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -22.841 20.925 31.152 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -22.942 19.820 30.122 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -19.022 15.706 30.279 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -19.139 14.757 30.225 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -19.877 16.038 30.552 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -16.755 24.543 24.779 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -17.467 25.078 24.428 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -16.064 24.599 24.119 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -13.349 24.753 25.731 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -14.081 24.981 26.304 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -12.902 24.039 26.186 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -21.704 25.383 27.614 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -22.034 25.013 26.795 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -21.116 24.713 27.960 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -14.478 23.915 23.416 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -13.899 24.065 24.163 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -14.064 24.386 22.693 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -10.780 15.665 23.229 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -11.679 15.804 23.524 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -10.528 16.496 22.827 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -22.714 24.453 25.203 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -23.006 25.221 24.712 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -23.388 23.793 25.040 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -21.753 16.609 31.057 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -22.614 16.522 30.649 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -21.775 17.465 31.484 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -13.001 24.948 21.046 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -12.959 24.725 20.116 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -12.152 25.346 21.236 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -21.662 21.575 32.152 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -22.304 21.534 32.861 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -21.625 22.501 31.914 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -21.665 21.796 27.064 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -22.558 21.455 27.005 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -21.214 21.419 26.308 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -15.125 21.658 28.695 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -15.320 22.263 27.980 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -14.943 20.824 28.260 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -26.029 19.757 23.293 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -25.555 20.348 22.708 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -26.747 20.288 23.640 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -24.255 20.852 26.977 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -25.144 20.952 26.637 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -23.959 20.010 26.631 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -14.678 18.458 31.414 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -15.355 18.589 32.078 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -15.164 18.303 30.604 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -17.763 22.011 30.037 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -17.199 21.464 29.490 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -17.911 21.489 30.826 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -22.761 18.147 26.455 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -23.078 17.245 26.420 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -21.980 18.149 25.903 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -19.137 20.399 32.451 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -19.972 20.853 32.561 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -18.613 20.675 33.203 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -18.593 26.612 24.136 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -19.337 26.105 23.813 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -18.727 26.661 25.082 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -13.977 21.293 23.996 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -13.085 21.156 24.315 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -13.920 22.084 23.459 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -16.467 28.071 23.161 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -16.762 28.897 23.543 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -17.170 27.451 23.357 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -25.338 24.287 21.897 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -24.722 24.914 22.276 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -26.200 24.603 22.168 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -19.666 27.088 26.886 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -19.907 28.013 26.928 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -20.406 26.629 27.282 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -13.404 28.265 21.976 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -13.051 27.885 22.780 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -14.353 28.172 22.062 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -12.538 26.938 24.202 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -12.815 26.210 24.758 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -11.611 27.057 24.408 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -19.313 29.377 20.423 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -19.074 28.629 19.875 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -19.582 28.989 21.255 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -20.376 28.947 22.879 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -20.229 28.427 23.669 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -20.379 29.854 23.185 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -23.923 26.200 23.389 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -24.609 26.552 23.956 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -23.400 26.963 23.143 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -23.307 28.814 22.286 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -22.715 29.513 22.562 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -22.848 28.381 21.567 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -24.991 21.478 21.402 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -25.036 22.417 21.581 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -25.879 21.242 21.132 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -24.183 16.260 30.075 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -24.412 16.319 29.148 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -24.626 15.468 30.382 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -17.275 31.240 20.561 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -17.919 30.609 20.883 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -16.513 30.709 20.329 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -21.716 26.967 20.652 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -21.652 26.173 21.183 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -21.063 26.848 19.963 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -16.364 28.014 20.388 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -16.632 28.194 21.289 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -16.570 27.088 20.257 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -20.567 24.939 22.958 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -21.026 24.455 23.644 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -20.312 24.271 22.322 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -26.030 28.509 21.705 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -25.116 28.588 21.978 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -26.023 27.822 21.038 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -10.636 21.600 21.407 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -10.539 22.267 20.727 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -10.776 20.784 20.925 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -11.756 20.563 25.490 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -11.476 19.656 25.615 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -10.997 20.997 25.101 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -11.142 17.826 25.539 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -10.960 17.377 26.364 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -11.742 17.241 25.075 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -9.276 17.893 22.067 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -8.863 17.172 21.591 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -8.594 18.563 22.125 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -16.881 17.509 29.547 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -17.556 16.880 29.802 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -16.317 17.025 28.944 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -24.555 16.143 27.369 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -25.332 15.909 26.861 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -24.024 15.346 27.377 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -25.718 15.941 23.172 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -25.279 16.552 22.581 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -26.352 16.479 23.646 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -14.418 16.100 28.831 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -14.342 16.195 27.882 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -14.694 15.192 28.960 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -13.065 16.126 24.524 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -13.768 16.740 24.314 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -13.510 15.288 24.655 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -23.857 17.857 21.615 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -23.366 17.227 21.087 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -23.234 18.153 22.278 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -23.999 32.809 21.095 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -24.267 33.096 21.968 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -23.228 32.263 21.247 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -15.476 44.155 -48.097 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -15.387 45.099 -48.229 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -16.115 43.880 -48.755 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -26.641 41.135 -49.157 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -27.089 41.981 -49.175 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -27.202 40.555 -49.672 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -25.931 43.297 -47.031 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -25.717 42.527 -46.504 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -25.193 43.386 -47.634 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -15.013 40.237 -43.944 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -14.870 39.290 -43.924 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -15.119 40.444 -44.873 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -21.858 38.338 -46.672 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -21.815 39.198 -47.090 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.316 37.786 -47.305 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -23.048 37.256 -42.598 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.267 37.786 -43.364 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -23.716 37.483 -41.950 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -15.679 46.756 -49.054 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -15.975 46.434 -49.905 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -16.003 47.656 -49.012 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -16.755 43.399 -50.645 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -17.467 43.934 -50.996 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -16.064 43.455 -51.305 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -13.452 41.783 -40.625 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -13.372 42.546 -40.053 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -14.053 42.062 -41.316 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -20.337 47.667 -45.129 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -20.432 47.089 -45.886 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -19.608 47.296 -44.633 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -15.028 48.511 -43.443 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -15.269 49.173 -42.795 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -15.226 47.677 -43.018 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -20.457 47.407 -39.460 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -20.769 48.189 -39.004 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -21.107 47.254 -40.146 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -22.218 49.479 -38.696 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -22.210 49.343 -39.644 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -23.134 49.361 -38.444 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -22.714 43.309 -50.221 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -23.006 44.077 -50.712 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -23.388 42.649 -50.384 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -26.870 48.452 -44.522 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -25.924 48.308 -44.541 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -26.983 49.236 -43.985 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -17.694 48.692 -39.964 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -17.607 49.518 -39.489 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -18.558 48.362 -39.715 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -21.753 35.465 -44.367 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -22.614 35.378 -44.775 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -21.775 36.321 -43.940 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -17.090 35.187 -40.993 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -16.670 34.772 -40.240 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -18.023 35.009 -40.876 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -13.764 38.943 -40.139 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -14.278 38.817 -39.342 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -13.919 39.855 -40.384 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -21.665 40.652 -48.360 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -22.558 40.311 -48.419 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -21.214 40.275 -49.116 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -16.129 41.068 -49.543 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -16.538 41.883 -49.835 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -15.409 40.928 -50.158 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -17.027 41.243 -38.055 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -17.590 40.539 -37.735 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -16.201 41.123 -37.588 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -15.125 40.514 -46.729 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -15.320 41.119 -47.444 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -14.943 39.680 -47.164 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -27.304 37.867 -47.555 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -26.673 37.838 -46.835 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -26.854 37.442 -48.285 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -15.861 42.152 -42.058 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -15.537 41.521 -42.701 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -16.301 41.617 -41.397 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -19.083 38.079 -47.274 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -19.994 38.136 -46.985 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -18.578 38.019 -46.463 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -24.255 39.708 -48.447 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -25.144 39.808 -48.787 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -23.959 38.866 -48.793 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -20.602 39.708 -50.791 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -19.670 39.837 -50.613 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -20.817 40.378 -51.440 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -14.678 37.314 -44.010 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -15.355 37.445 -43.346 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -15.164 37.159 -44.820 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -22.761 37.003 -48.969 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -23.078 36.101 -49.004 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -21.980 37.005 -49.521 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -18.593 45.468 -51.288 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -19.337 44.961 -51.611 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -18.727 45.517 -50.342 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -17.073 45.652 -40.051 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -17.419 45.271 -39.245 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -17.273 46.586 -39.980 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -14.823 48.114 -40.101 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -15.724 48.297 -40.369 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -14.789 48.373 -39.180 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -13.636 43.953 -44.247 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -14.564 43.721 -44.274 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -13.185 43.176 -44.577 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -21.093 48.281 -48.114 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -20.566 49.054 -48.315 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -21.973 48.506 -48.416 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -19.666 45.944 -48.538 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -19.907 46.869 -48.496 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -20.406 45.485 -48.142 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -19.151 50.093 -42.223 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -18.788 50.948 -42.456 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -18.619 49.801 -41.482 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -15.607 46.192 -42.522 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -16.033 45.965 -41.696 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -15.026 45.454 -42.705 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -24.826 37.977 -40.646 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -25.719 38.316 -40.713 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -24.925 37.122 -40.228 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -25.175 49.782 -42.211 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -24.958 48.850 -42.242 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -24.928 50.056 -41.327 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -16.091 37.718 -41.756 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -15.393 37.792 -41.106 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -16.472 36.854 -41.601 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -18.107 39.098 -49.824 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -17.295 39.602 -49.778 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -18.352 38.953 -48.910 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -12.765 41.742 -45.708 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -13.562 41.327 -46.037 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -12.320 41.051 -45.217 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -24.183 35.116 -45.349 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -24.412 35.175 -46.276 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -24.626 34.324 -45.042 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -25.964 51.669 -37.858 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -25.424 51.452 -37.099 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -26.445 50.863 -38.048 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -21.367 50.588 -36.238 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -20.599 50.129 -35.897 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -21.388 50.362 -37.168 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -13.667 45.365 -40.088 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -12.922 45.953 -40.208 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -14.424 45.947 -40.025 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -16.258 44.159 -36.832 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -15.305 44.243 -36.860 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -16.418 43.448 -36.213 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -20.526 37.413 -41.535 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -19.990 37.864 -42.187 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -21.378 37.305 -41.957 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -14.528 40.667 -36.267 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -14.336 39.736 -36.378 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -13.671 41.092 -36.277 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -13.212 43.456 -38.189 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -13.493 44.165 -38.767 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -12.269 43.383 -38.340 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -19.720 34.869 -41.103 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -19.818 35.816 -41.209 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -20.463 34.497 -41.579 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -18.456 39.191 -37.540 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -18.692 38.971 -36.638 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -19.239 38.984 -38.049 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -15.740 38.318 -38.464 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -16.688 38.350 -38.332 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -15.428 37.693 -37.810 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -19.145 35.846 -36.378 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -19.276 35.370 -37.199 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -19.744 36.590 -36.434 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -26.431 43.914 -44.386 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -26.247 43.832 -45.321 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -25.582 43.790 -43.962 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -25.612 37.497 -45.354 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -25.167 36.705 -45.052 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -25.146 38.213 -44.923 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -27.308 40.496 -44.285 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -26.816 40.275 -45.075 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -26.946 41.337 -44.004 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -27.031 35.492 -41.886 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -27.696 35.246 -41.243 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -27.474 36.114 -42.463 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -21.885 49.642 -41.483 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -22.310 50.451 -41.766 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -20.980 49.727 -41.785 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -25.068 51.521 -44.525 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -25.087 51.096 -43.668 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -24.263 51.203 -44.934 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -22.927 50.231 -45.870 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -23.146 49.315 -45.701 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -22.103 50.371 -45.404 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -20.390 50.701 -45.022 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -20.177 49.813 -45.309 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -20.325 50.667 -44.067 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -16.881 36.365 -45.877 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -17.556 35.736 -45.622 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -16.317 35.881 -46.480 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -24.597 35.513 -38.538 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -24.963 34.748 -38.095 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -23.684 35.542 -38.251 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -22.624 34.864 -37.002 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -21.725 34.590 -37.187 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -23.010 34.121 -36.538 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -23.251 47.475 -25.694 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -23.621 46.673 -26.063 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -22.310 47.306 -25.647 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -21.858 38.338 -27.816 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -21.815 39.198 -28.234 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -22.316 37.786 -28.449 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -20.082 42.285 -27.838 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -19.466 41.759 -27.329 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -20.668 41.645 -28.242 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -23.048 37.256 -23.742 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -23.267 37.786 -24.508 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -23.716 37.483 -23.094 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -20.479 44.932 -23.454 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.219 45.530 -23.351 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -19.765 45.486 -23.770 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -23.454 39.148 -25.789 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -22.841 39.781 -25.416 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -22.942 38.676 -26.446 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -16.755 43.399 -31.789 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -17.467 43.934 -32.140 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -16.064 43.455 -32.449 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -16.701 41.857 -34.750 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -16.000 41.879 -34.099 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -16.399 41.229 -35.406 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -21.704 44.239 -28.954 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -22.034 43.869 -29.773 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -21.116 43.569 -28.608 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -20.337 47.667 -26.273 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -20.432 47.089 -27.030 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -19.608 47.296 -25.777 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -21.337 43.008 -25.321 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -20.772 43.129 -26.084 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -21.018 43.645 -24.682 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -23.537 43.605 -21.375 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -23.467 44.256 -20.677 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -24.428 43.708 -21.710 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -22.714 43.309 -31.365 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -23.006 44.077 -31.856 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -23.388 42.649 -31.528 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -23.626 51.253 -29.521 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -23.474 50.905 -28.642 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -24.477 50.897 -29.776 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -24.372 46.995 -21.507 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -24.155 46.634 -20.647 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -25.227 46.621 -21.717 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -17.428 37.680 -34.852 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -17.682 37.699 -33.929 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -17.685 36.808 -35.153 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -21.662 40.431 -24.416 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -22.304 40.390 -23.707 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -21.625 41.357 -24.654 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -21.665 40.652 -29.504 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -22.558 40.311 -29.563 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -21.214 40.275 -30.260 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -23.912 40.751 -22.549 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -23.950 41.151 -21.681 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -24.403 39.934 -22.459 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -20.546 38.125 -35.751 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -20.977 37.680 -35.021 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -21.264 38.497 -36.263 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -27.304 37.867 -28.699 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -26.673 37.838 -27.979 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -26.854 37.442 -29.429 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -26.029 38.613 -33.275 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -25.555 39.204 -33.860 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -26.747 39.144 -32.928 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -24.255 39.708 -29.591 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -25.144 39.808 -29.931 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -23.959 38.866 -29.937 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -20.602 39.708 -31.935 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -19.670 39.837 -31.757 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -20.817 40.378 -32.584 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -23.793 45.460 -19.269 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -23.060 45.714 -18.708 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -24.573 45.664 -18.754 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -22.761 37.003 -30.113 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -23.078 36.101 -30.148 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -21.980 37.005 -30.665 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -18.593 45.468 -32.432 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -19.337 44.961 -32.755 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -18.727 45.517 -31.486 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -23.468 44.763 -26.663 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -22.723 44.761 -27.264 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -23.390 43.939 -26.181 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -16.467 46.927 -33.407 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -16.762 47.753 -33.025 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -17.170 46.307 -33.211 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -19.443 42.741 -19.135 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -19.739 42.575 -20.030 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -18.512 42.521 -19.145 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -21.093 48.281 -29.258 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -20.566 49.054 -29.459 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -21.973 48.506 -29.560 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -19.666 45.944 -29.682 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -19.907 46.869 -29.640 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -20.406 45.485 -29.286 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -20.982 50.966 -30.137 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -21.932 51.071 -30.085 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -20.631 51.786 -29.792 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -25.175 49.782 -23.355 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -24.958 48.850 -23.386 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -24.928 50.056 -22.471 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -19.313 48.233 -36.145 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -19.074 47.485 -36.693 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -19.582 47.845 -35.313 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -20.376 47.803 -33.689 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -20.229 47.283 -32.899 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -20.379 48.710 -33.383 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -20.300 50.544 -32.958 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -20.139 51.344 -33.459 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -20.497 50.851 -32.073 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -21.566 37.242 -33.342 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -21.649 38.131 -32.996 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -20.676 36.977 -33.111 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -24.183 35.116 -26.493 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -24.412 35.175 -27.420 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -24.626 34.324 -26.186 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -26.057 45.479 -18.048 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -25.913 44.577 -18.334 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -26.830 45.765 -18.536 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -16.364 46.870 -36.180 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -16.632 47.050 -35.279 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -16.570 45.944 -36.311 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -20.567 43.795 -33.610 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -21.026 43.311 -32.924 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -20.312 43.127 -34.246 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -21.278 41.688 -21.254 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -21.896 42.363 -20.973 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -20.934 42.009 -22.087 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -20.938 39.043 -20.171 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -20.788 38.314 -20.774 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -20.936 39.820 -20.730 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -20.526 37.413 -22.679 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -19.990 37.864 -23.331 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -21.378 37.305 -23.101 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -18.456 39.191 -18.684 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -18.692 38.971 -17.782 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -19.239 38.984 -19.193 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -27.381 52.758 -29.786 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -28.028 52.296 -30.319 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -27.026 52.086 -29.203 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -8.832 34.717 -17.512 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -8.482 34.063 -18.118 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -8.685 35.554 -17.952 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -25.612 37.497 -26.498 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -25.167 36.705 -26.196 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -25.146 38.213 -26.067 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -26.995 36.754 -31.374 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -27.920 36.963 -31.504 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -26.541 37.238 -32.064 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -27.031 35.492 -23.030 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -27.696 35.246 -22.387 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -27.474 36.114 -23.607 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -24.839 48.667 -18.886 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -25.660 48.842 -19.346 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -25.091 48.594 -17.965 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -24.483 52.898 -22.580 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -25.203 53.338 -23.031 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -24.849 52.647 -21.731 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -25.068 51.521 -25.669 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -25.087 51.096 -24.812 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -24.263 51.203 -26.078 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -22.927 50.231 -27.014 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.146 49.315 -26.845 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -22.103 50.371 -26.548 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -24.555 34.999 -29.199 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -25.332 34.765 -29.707 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -24.024 34.202 -29.191 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -23.857 36.713 -34.953 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -23.366 36.083 -35.481 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -23.234 37.009 -34.290 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -18.831 37.006 -32.496 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -18.653 36.360 -31.813 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -18.885 37.840 -32.029 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -24.597 35.513 -19.682 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -24.963 34.748 -19.239 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -23.684 35.542 -19.395 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -22.624 34.864 -18.146 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -21.725 34.590 -18.331 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -23.010 34.121 -17.682 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -23.999 51.665 -35.473 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -24.267 51.952 -34.600 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -23.228 51.119 -35.321 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -15.476 44.155 -10.385 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -15.387 45.099 -10.517 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -16.115 43.880 -11.043 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -16.543 43.410 -6.966 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -16.581 42.764 -6.261 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -16.866 42.944 -7.737 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -12.837 46.349 -8.664 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -13.278 45.629 -8.214 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -12.850 47.070 -8.034 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -23.251 47.475 -6.838 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -23.621 46.673 -7.207 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -22.310 47.306 -6.791 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.154 45.843 -6.560 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -17.850 45.157 -7.154 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -17.432 45.961 -5.942 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -20.082 42.285 -8.982 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -19.466 41.759 -8.473 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -20.668 41.645 -9.386 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -15.679 46.756 -11.342 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -15.975 46.434 -12.193 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -16.003 47.656 -11.300 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -20.479 44.932 -4.598 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -21.219 45.530 -4.495 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -19.765 45.486 -4.914 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -22.071 46.896 -3.811 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -22.077 47.775 -4.189 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -22.925 46.813 -3.386 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -12.325 48.189 -6.316 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -13.267 48.247 -6.155 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -12.049 49.095 -6.453 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -12.914 47.871 -11.182 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -13.171 47.181 -11.794 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -12.843 47.428 -10.337 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -11.228 46.437 -2.705 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -11.088 45.846 -3.444 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -11.060 47.310 -3.061 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -16.755 43.399 -12.933 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -17.467 43.934 -13.284 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -16.064 43.455 -13.593 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -13.349 43.609 -11.981 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -14.081 43.837 -11.408 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -12.902 42.895 -11.526 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -21.704 44.239 -10.098 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -22.034 43.869 -10.917 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -21.116 43.569 -9.752 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -20.337 47.667 -7.417 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -20.432 47.089 -8.174 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -19.608 47.296 -6.921 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -15.028 48.511 -5.731 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -15.269 49.173 -5.083 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -15.226 47.677 -5.306 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -14.478 42.771 -14.296 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -13.899 42.921 -13.549 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -14.064 43.242 -15.019 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -10.780 34.521 -14.483 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -11.679 34.660 -14.188 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -10.528 35.352 -14.885 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -22.714 43.309 -12.509 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -23.006 44.077 -13.000 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -23.388 42.649 -12.672 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -26.621 45.672 -3.694 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -27.122 45.644 -4.509 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -26.615 44.766 -3.384 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -26.870 48.452 -6.810 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -25.924 48.308 -6.829 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -26.983 49.236 -6.273 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -8.673 49.118 -1.128 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -8.722 48.163 -1.165 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -9.499 49.386 -0.726 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -17.694 48.692 -2.252 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -17.607 49.518 -1.777 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -18.558 48.362 -2.003 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -23.626 51.253 -10.665 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -23.474 50.905 -9.786 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -24.477 50.897 -10.920 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -24.372 46.995 -2.651 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -24.155 46.634 -1.791 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -25.227 46.621 -2.861 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -17.428 37.680 -15.996 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -17.682 37.699 -15.073 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -17.685 36.808 -16.297 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -21.665 40.652 -10.648 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -22.558 40.311 -10.707 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -21.214 40.275 -11.404 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -16.129 41.068 -11.831 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -16.538 41.883 -12.123 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -15.409 40.928 -12.446 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -20.546 38.125 -16.895 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -20.977 37.680 -16.165 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -21.264 38.497 -17.407 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -20.602 39.708 -13.079 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -19.670 39.837 -12.901 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -20.817 40.378 -13.728 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -21.928 40.903 -15.512 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -22.470 40.523 -16.203 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -21.094 41.097 -15.941 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -23.793 45.460 -0.413 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -23.060 45.714 0.148 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -24.573 45.664 0.102 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -22.761 37.003 -11.257 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -23.078 36.101 -11.292 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -21.980 37.005 -11.809 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -14.695 38.282 -15.377 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -15.633 38.394 -15.528 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -14.398 39.139 -15.071 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -17.073 45.652 -2.339 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -17.419 45.271 -1.533 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -17.273 46.586 -2.268 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -13.977 40.149 -13.716 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -13.085 40.012 -13.397 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -13.920 40.940 -14.253 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -19.443 42.741 -0.279 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -19.739 42.575 -1.174 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -18.512 42.521 -0.289 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -14.823 48.114 -2.389 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -15.724 48.297 -2.657 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -14.789 48.373 -1.468 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -9.092 40.359 -14.022 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -9.646 39.963 -14.694 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -8.991 41.269 -14.299 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -9.128 46.159 -1.185 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -9.980 46.397 -1.552 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -8.538 46.142 -1.938 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -21.093 48.281 -10.402 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -20.566 49.054 -10.603 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -21.973 48.506 -10.704 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -25.338 43.143 -15.815 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -24.722 43.770 -15.436 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -26.200 43.459 -15.544 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -19.666 45.944 -10.826 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -19.907 46.869 -10.784 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -20.406 45.485 -10.430 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -15.607 46.192 -4.810 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -16.033 45.965 -3.984 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -15.026 45.454 -4.993 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -12.538 45.794 -13.510 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -12.815 45.066 -12.954 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -11.611 45.913 -13.304 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -25.175 49.782 -4.499 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -24.958 48.850 -4.530 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -24.928 50.056 -3.615 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -23.923 45.056 -14.323 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -24.609 45.408 -13.756 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -23.400 45.819 -14.569 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -15.307 37.370 -12.947 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -15.087 37.842 -13.750 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -14.749 37.765 -12.276 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -18.107 39.098 -12.112 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -17.295 39.602 -12.066 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -18.352 38.953 -11.198 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -17.223 36.179 -11.174 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -17.570 36.797 -10.529 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -16.565 36.680 -11.655 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -21.566 37.242 -14.486 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -21.649 38.131 -14.140 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -20.676 36.977 -14.255 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -23.307 47.670 -15.426 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -22.715 48.369 -15.150 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -22.848 47.237 -16.145 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -25.253 49.056 -11.476 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -26.085 49.529 -11.449 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -24.707 49.566 -12.075 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -14.790 48.968 0.203 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -15.141 48.112 0.446 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -14.064 49.111 0.810 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -26.057 45.479 0.808 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -25.913 44.577 0.522 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -26.830 45.765 0.320 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -21.716 45.823 -17.060 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -21.652 45.029 -16.529 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.063 45.704 -17.749 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -19.402 45.449 0.241 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -19.730 45.720 -0.617 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -19.250 44.508 0.153 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -13.667 45.365 -2.376 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -12.922 45.953 -2.496 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -14.424 45.947 -2.313 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -25.225 42.679 0.228 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -24.817 41.822 0.107 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -25.485 42.694 1.149 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -20.567 43.795 -14.754 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -21.026 43.311 -14.068 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -20.312 43.127 -15.390 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -19.496 42.038 -16.491 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -19.676 41.884 -17.419 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -18.545 42.146 -16.447 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -18.944 42.852 -3.583 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -18.193 42.696 -4.156 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -19.283 43.704 -3.859 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -22.460 40.241 0.596 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -23.227 39.709 0.386 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -21.781 39.931 -0.003 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -26.030 47.365 -16.007 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -25.116 47.444 -15.734 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -26.023 46.678 -16.674 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -27.381 52.758 -10.930 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -28.028 52.296 -11.463 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -27.026 52.086 -10.347 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -26.511 50.839 -9.125 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -26.845 49.958 -8.953 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -26.289 51.184 -8.261 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -10.948 47.005 1.415 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -11.814 46.900 1.809 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -10.572 47.764 1.862 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -9.647 45.262 -13.071 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -8.797 45.683 -12.943 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -9.642 44.522 -12.463 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -9.494 46.100 -6.299 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -8.660 45.722 -6.580 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -9.382 47.043 -6.418 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -11.007 48.978 -3.992 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -11.655 49.303 -3.367 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -11.525 48.538 -4.667 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -8.985 43.216 -14.856 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -9.506 43.573 -15.575 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -9.018 43.891 -14.178 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -10.636 40.456 -16.305 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -10.539 41.123 -16.985 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -10.776 39.640 -16.787 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -11.388 37.864 -17.188 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -10.778 37.492 -16.551 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -12.225 37.442 -16.992 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -9.276 36.749 -15.645 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -8.863 36.028 -16.121 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -8.594 37.419 -15.587 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -22.927 50.231 -8.158 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -23.146 49.315 -7.989 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -22.103 50.371 -7.692 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -25.718 34.797 -14.540 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -25.279 35.408 -15.131 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -26.352 35.335 -14.066 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -19.975 34.926 -10.530 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -19.101 35.314 -10.560 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -20.111 34.711 -9.607 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -13.065 34.982 -13.188 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -13.768 35.596 -13.398 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -13.510 34.144 -13.057 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -25.817 50.745 -13.642 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -26.502 50.707 -14.310 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -25.814 51.658 -13.354 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -23.857 36.713 -16.097 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -23.366 36.083 -16.625 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -23.234 37.009 -15.434 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -18.831 37.006 -13.640 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -18.653 36.360 -12.957 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -18.885 37.840 -13.173 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -15.476 44.155 8.471 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -15.387 45.099 8.339 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -16.115 43.880 7.813 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -16.543 43.410 11.890 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -16.581 42.764 12.595 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -16.866 42.944 11.119 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -26.641 41.135 7.411 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -27.089 41.981 7.393 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -27.202 40.555 6.896 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -9.491 37.444 13.157 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -9.442 38.054 13.893 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -9.065 37.905 12.434 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -15.013 40.237 12.624 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -14.870 39.290 12.644 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -15.119 40.444 11.695 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -21.858 38.338 9.896 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -21.815 39.198 9.478 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -22.316 37.786 9.263 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -20.082 42.285 9.874 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -19.466 41.759 10.383 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -20.668 41.645 9.470 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -23.048 37.256 13.970 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -23.267 37.786 13.204 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -23.716 37.483 14.618 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -15.679 46.756 7.514 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -15.975 46.434 6.663 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -16.003 47.656 7.556 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -23.454 39.148 11.923 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -22.841 39.781 12.296 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -22.942 38.676 11.266 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -12.025 36.475 13.957 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -12.761 37.086 13.919 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -11.341 36.890 13.431 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -12.914 47.871 7.674 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -13.171 47.181 7.062 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -12.843 47.428 8.519 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -13.349 43.609 6.875 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -14.081 43.837 7.448 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -12.902 42.895 7.330 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -21.704 44.239 8.758 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -22.034 43.869 7.939 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -21.116 43.569 9.104 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -22.714 43.309 6.347 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -23.006 44.077 5.856 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -23.388 42.649 6.184 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -21.753 35.465 12.201 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -22.614 35.378 11.793 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -21.775 36.321 12.628 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -17.090 35.187 15.575 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -16.670 34.772 16.328 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -18.023 35.009 15.692 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -21.662 40.431 13.296 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -22.304 40.390 14.005 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -21.625 41.357 13.058 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -21.665 40.652 8.208 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -22.558 40.311 8.149 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -21.214 40.275 7.452 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -15.125 40.514 9.839 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -15.320 41.119 9.124 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -14.943 39.680 9.404 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -27.304 37.867 9.013 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -26.673 37.838 9.733 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -26.854 37.442 8.283 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -26.029 38.613 4.437 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -25.555 39.204 3.852 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -26.747 39.144 4.784 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -24.255 39.708 8.121 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -25.144 39.808 7.781 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -23.959 38.866 7.775 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -14.678 37.314 12.558 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -15.355 37.445 13.222 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -15.164 37.159 11.748 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -21.928 40.903 3.344 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -22.470 40.523 2.653 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -21.094 41.097 2.915 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -17.763 40.867 11.181 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -17.199 40.320 10.634 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -17.911 40.345 11.970 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -19.137 39.255 13.595 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -19.972 39.709 13.705 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -18.613 39.531 14.347 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -18.593 45.468 5.280 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -19.337 44.961 4.957 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -18.727 45.517 6.226 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -16.467 46.927 4.305 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -16.762 47.753 4.687 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -17.170 46.307 4.501 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -25.338 43.143 3.041 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -24.722 43.770 3.420 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -26.200 43.459 3.312 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -19.666 45.944 8.030 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -19.907 46.869 8.072 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -20.406 45.485 8.426 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -13.404 47.121 3.120 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -13.051 46.741 3.924 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -14.353 47.028 3.206 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -12.538 45.794 5.346 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -12.815 45.066 5.902 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -11.611 45.913 5.552 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -19.313 48.233 1.567 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -19.074 47.485 1.019 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -19.582 47.845 2.399 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -20.376 47.803 4.023 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -20.229 47.283 4.813 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -20.379 48.710 4.329 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -16.091 37.718 14.812 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -15.393 37.792 15.462 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -16.472 36.854 14.967 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -17.638 49.501 4.772 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -18.455 49.998 4.825 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -17.109 49.976 4.132 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -12.765 41.742 10.860 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -13.562 41.327 10.531 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -12.320 41.051 11.351 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -24.991 40.334 2.546 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -25.036 41.273 2.725 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -25.879 40.098 2.276 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -24.183 35.116 11.219 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -24.412 35.175 10.292 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -24.626 34.324 11.526 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -21.716 45.823 1.796 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -21.652 45.029 2.327 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -21.063 45.704 1.107 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -16.364 46.870 1.532 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -16.632 47.050 2.433 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -16.570 45.944 1.401 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -20.567 43.795 4.102 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -21.026 43.311 4.788 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -20.312 43.127 3.466 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -10.106 44.393 1.810 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -10.379 43.968 0.997 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -10.066 45.324 1.593 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -20.526 37.413 15.033 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -19.990 37.864 14.381 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -21.378 37.305 14.611 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -19.720 34.869 15.465 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.818 35.816 15.359 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -20.463 34.497 14.989 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -19.498 34.163 18.136 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -18.786 33.523 18.122 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -19.599 34.430 17.222 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -9.647 45.262 5.785 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -8.797 45.683 5.913 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -9.642 44.522 6.393 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -9.253 43.315 7.609 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -9.979 42.836 8.007 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -8.672 43.521 8.341 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -8.985 43.216 4.000 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -9.506 43.573 3.281 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -9.018 43.891 4.678 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -11.466 41.836 8.172 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -11.616 40.891 8.152 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -11.820 42.117 9.016 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -11.144 40.000 12.070 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -10.211 40.212 12.036 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -11.379 40.102 12.993 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -25.612 37.497 11.214 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -25.167 36.705 11.516 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -25.146 38.213 11.645 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -26.995 36.754 6.338 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -27.920 36.963 6.208 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -26.541 37.238 5.648 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -27.031 35.492 14.682 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -27.696 35.246 15.325 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -27.474 36.114 14.105 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -25.718 34.797 4.316 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -25.279 35.408 3.725 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -26.352 35.335 4.790 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -23.857 36.713 2.759 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -23.366 36.083 2.231 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -23.234 37.009 3.422 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -27.304 56.723 -28.699 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -26.673 56.694 -27.979 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -26.854 56.298 -29.429 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -24.183 53.972 -26.493 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -24.412 54.031 -27.420 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -24.626 53.180 -26.186 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -26.995 55.610 -31.374 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -27.920 55.819 -31.504 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -26.541 56.094 -32.064 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -27.031 54.348 -23.030 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -27.696 54.102 -22.387 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -27.474 54.970 -23.607 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -24.555 53.855 -29.199 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -25.332 53.621 -29.707 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -24.024 53.058 -29.191 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -25.718 53.653 -33.396 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -25.279 54.264 -33.987 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -26.352 54.191 -32.922 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -5.319 -32.399 13.483 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -5.277 -33.025 14.207 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -4.616 -31.776 13.665 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 6.019 -29.075 10.192 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 5.578 -29.795 10.642 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 6.006 -28.354 10.822 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -7.075 -32.127 9.537 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -6.861 -32.897 10.064 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -6.337 -32.038 8.934 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 3.843 -35.187 12.624 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 3.986 -36.134 12.644 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 3.737 -34.980 11.695 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -6.382 -34.689 10.658 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -5.728 -35.239 11.090 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -6.358 -34.963 9.742 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -1.226 -33.139 9.874 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -0.610 -33.665 10.383 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -1.812 -33.779 9.470 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 3.177 -28.668 7.514 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 2.881 -28.990 6.663 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 2.853 -27.768 7.556 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -4.598 -36.276 11.923 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -3.985 -35.643 12.296 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -4.086 -36.748 11.266 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 6.531 -27.235 12.540 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 5.589 -27.177 12.701 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 6.807 -26.329 12.403 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 4.783 -25.454 9.165 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 5.208 -26.161 8.680 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 5.100 -24.653 8.748 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 5.942 -27.553 7.674 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 5.685 -28.243 7.062 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 6.013 -27.996 8.519 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 7.628 -28.987 16.151 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 7.768 -29.578 15.412 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 7.796 -28.114 15.795 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 2.101 -32.025 5.923 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 1.389 -31.490 5.572 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 2.792 -31.969 5.263 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 5.507 -31.815 6.875 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 4.775 -31.587 7.448 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 5.954 -32.529 7.330 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 5.404 -33.641 15.943 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 5.484 -32.878 16.515 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 4.803 -33.362 15.252 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -2.848 -31.185 8.758 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -3.178 -31.555 7.939 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -2.260 -31.855 9.104 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 4.378 -32.653 4.560 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 4.957 -32.503 5.307 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 4.792 -32.182 3.837 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 2.104 -25.916 7.995 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 2.578 -25.621 8.773 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 1.541 -25.178 7.762 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -3.858 -32.115 6.347 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -4.150 -31.347 5.856 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -4.532 -32.775 6.184 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -7.765 -29.752 15.162 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -8.266 -29.780 14.347 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -7.759 -30.658 15.472 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -8.014 -26.972 12.046 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -7.068 -27.116 12.027 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -8.127 -26.188 12.583 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 1.576 -22.960 6.410 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 1.501 -23.081 5.464 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 1.609 -22.010 6.529 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -4.770 -24.171 8.191 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -4.618 -24.519 9.070 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -5.621 -24.527 7.936 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 4.347 -23.880 6.162 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 3.412 -23.780 6.341 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 4.627 -24.589 6.740 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -2.806 -34.993 13.296 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -3.448 -35.034 14.005 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -2.769 -34.067 13.058 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -2.809 -34.772 8.208 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -3.702 -35.113 8.149 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -2.358 -35.149 7.452 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 2.727 -34.356 7.025 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 2.318 -33.541 6.733 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 3.447 -34.496 6.410 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 1.829 -34.181 18.513 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 1.266 -34.885 18.833 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 2.655 -34.301 18.980 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 3.731 -34.910 9.839 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 3.536 -34.305 9.124 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 3.913 -35.744 9.404 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -5.056 -34.673 15.163 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.094 -34.273 16.031 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -5.547 -35.490 15.253 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 2.995 -33.272 14.510 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 3.319 -33.903 13.867 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 2.555 -33.807 15.171 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -0.227 -37.345 9.294 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -1.138 -37.288 9.583 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 0.278 -37.405 10.105 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 1.093 -34.557 11.181 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 1.657 -35.104 10.634 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 0.945 -35.079 11.970 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.281 -36.169 13.595 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -1.116 -35.715 13.705 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 0.243 -35.893 14.347 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 0.263 -29.956 5.280 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -0.481 -30.463 4.957 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 0.129 -29.907 6.226 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 7.413 -30.823 14.066 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 8.055 -30.366 13.523 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 6.583 -30.710 13.604 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -4.612 -30.661 11.049 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -3.867 -30.663 10.448 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -4.534 -31.485 11.531 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 2.389 -28.497 4.305 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 2.094 -27.671 4.687 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.686 -29.117 4.501 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -7.604 -32.200 16.364 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -7.381 -32.618 17.196 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -8.206 -32.813 15.942 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -0.587 -32.683 18.577 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -0.883 -32.849 17.682 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 0.344 -32.903 18.567 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 4.033 -27.310 16.467 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 3.132 -27.127 16.199 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 4.067 -27.051 17.388 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 5.220 -31.471 12.321 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 4.292 -31.703 12.294 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 5.671 -32.248 11.991 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -2.237 -27.143 8.454 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -1.710 -26.370 8.253 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.117 -26.918 8.152 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -0.810 -29.480 8.030 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -1.051 -28.555 8.072 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -1.550 -29.939 8.426 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -2.126 -24.458 7.575 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -3.076 -24.353 7.627 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -1.775 -23.638 7.920 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 5.908 -24.680 16.515 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 5.306 -25.235 16.020 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 6.189 -24.013 15.889 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 6.318 -29.630 5.346 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 6.041 -30.358 5.902 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 7.245 -29.511 5.552 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.319 -25.642 14.357 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -6.102 -26.574 14.326 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -6.072 -25.368 15.241 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 1.218 -25.923 4.772 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 0.401 -25.426 4.825 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 1.747 -25.448 4.132 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 0.749 -36.326 6.744 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 1.561 -35.822 6.790 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 0.504 -36.471 7.658 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 1.285 -35.340 15.929 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 1.404 -34.766 16.686 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 1.940 -36.028 16.044 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -1.444 -24.880 4.754 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -1.283 -24.080 4.253 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -1.641 -24.573 5.639 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 6.091 -33.682 10.860 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 5.294 -34.097 10.531 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 6.536 -34.373 11.351 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 7.178 -24.426 12.482 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 7.022 -23.748 11.825 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 8.110 -24.354 12.685 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -6.397 -26.368 7.380 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -7.229 -25.895 7.407 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -5.851 -25.858 6.781 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -7.108 -23.755 18.710 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -6.568 -23.972 19.469 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -7.589 -24.561 18.520 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 4.066 -26.456 19.059 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 3.715 -27.312 19.302 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 4.792 -26.313 19.666 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -7.201 -29.945 19.664 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -7.057 -30.847 19.378 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -7.974 -29.659 19.176 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -0.546 -29.975 19.097 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -0.874 -29.704 18.239 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -0.394 -30.916 19.009 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 5.189 -30.059 16.480 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 5.934 -29.471 16.360 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 4.432 -29.477 16.543 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -6.369 -32.745 19.084 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -5.961 -33.602 18.963 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -6.629 -32.730 20.005 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 2.598 -31.265 19.736 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 3.551 -31.181 19.708 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 2.438 -31.976 20.355 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -2.082 -36.381 17.541 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -1.932 -37.110 16.938 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -2.080 -35.604 16.982 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -1.670 -38.011 15.033 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -1.134 -37.560 14.381 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -2.522 -38.119 14.611 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.604 -35.183 19.452 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -4.371 -35.715 19.242 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -2.925 -35.493 18.853 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 0.400 -36.233 19.028 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 0.164 -36.453 19.930 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -0.383 -36.440 18.519 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -7.655 -24.585 9.731 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.989 -25.466 9.903 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -7.433 -24.240 10.595 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 9.894 -23.776 12.711 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 9.872 -23.591 13.650 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 10.584 -23.207 12.370 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 9.362 -29.324 12.557 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 10.196 -29.702 12.276 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 9.474 -28.381 12.438 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 7.849 -26.446 14.864 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 7.201 -26.121 15.489 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 7.331 -26.886 14.189 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 7.390 -33.588 8.172 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 7.240 -34.533 8.152 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 7.036 -33.307 9.016 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -7.575 -31.510 12.182 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -7.391 -31.592 11.247 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -6.726 -31.634 12.606 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 6.632 -23.686 8.283 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 7.285 -24.033 7.675 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 7.143 -23.197 8.929 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -5.983 -26.757 18.826 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -6.804 -26.582 18.366 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.235 -26.830 19.747 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 3.627 -23.098 17.288 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 4.304 -23.730 17.048 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 3.949 -22.696 18.096 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 6.483 -22.590 14.578 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 6.301 -21.674 14.367 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 6.659 -23.000 13.731 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -6.212 -23.903 12.043 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -6.231 -24.328 12.900 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -5.407 -24.221 11.634 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -4.071 -25.193 10.698 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -4.290 -26.109 10.867 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -3.247 -25.053 11.164 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 1.576 -22.960 25.266 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 1.501 -23.081 24.320 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 1.609 -22.010 25.385 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -4.770 -24.171 27.047 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -4.618 -24.519 27.926 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.621 -24.527 26.792 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 4.678 -23.806 22.269 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 5.053 -24.550 21.798 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 4.682 -24.076 23.187 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 2.389 -28.497 23.161 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 2.094 -27.671 23.543 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 1.686 -29.117 23.357 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -6.482 -32.281 21.897 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -5.866 -31.654 22.276 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -7.344 -31.965 22.168 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -2.126 -24.458 26.431 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -3.076 -24.353 26.483 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -1.775 -23.638 26.776 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -0.457 -27.191 20.423 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -0.218 -27.939 19.875 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -0.726 -27.579 21.255 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -1.520 -27.621 22.879 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -1.373 -28.141 23.669 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -1.523 -26.714 23.185 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -5.067 -30.368 23.389 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -5.753 -30.016 23.956 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.544 -29.605 23.143 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 1.218 -25.923 23.628 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 0.401 -25.426 23.681 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 1.747 -25.448 22.988 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -1.444 -24.880 23.610 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -1.283 -24.080 23.109 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -1.641 -24.573 24.495 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -4.451 -27.754 22.286 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -3.859 -27.055 22.562 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -3.992 -28.187 21.567 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 1.581 -25.328 20.561 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 0.937 -25.959 20.883 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 2.343 -25.859 20.329 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -2.860 -29.601 20.652 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -2.796 -30.395 21.183 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -2.207 -29.720 19.963 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 2.492 -28.554 20.388 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 2.224 -28.374 21.289 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 2.286 -29.480 20.257 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -1.711 -31.629 22.958 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -2.170 -32.113 23.644 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -1.456 -32.297 22.322 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -0.640 -33.386 21.221 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -0.820 -33.540 20.293 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 0.311 -33.278 21.265 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -7.174 -28.059 21.705 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -6.260 -27.980 21.978 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -7.167 -28.746 21.038 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -6.961 -24.679 24.070 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -7.646 -24.717 23.402 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -6.958 -23.766 24.358 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 1.903 -23.469 22.467 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 2.769 -23.103 22.289 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 1.656 -23.909 21.654 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -5.143 -23.759 21.095 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -5.411 -23.472 21.968 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -4.372 -24.305 21.247 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 3.380 -12.413 8.471 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 3.469 -11.469 8.339 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 2.741 -12.688 7.813 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 2.313 -13.158 11.890 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 2.275 -13.804 12.595 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 1.990 -13.624 11.119 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -7.075 -13.271 9.537 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -6.861 -14.041 10.064 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -6.337 -13.182 8.934 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 0.702 -10.725 12.296 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 1.006 -11.411 11.702 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 1.424 -10.607 12.914 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 9.365 -19.124 13.157 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 9.414 -18.514 13.893 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 9.791 -18.663 12.434 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -3.002 -18.230 9.896 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -2.959 -17.370 9.478 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -3.460 -18.782 9.263 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 4.720 -18.099 8.297 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 5.366 -18.428 8.922 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 5.230 -17.581 7.674 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -6.382 -15.833 10.658 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -5.728 -16.383 11.090 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -6.358 -16.107 9.742 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -1.226 -14.283 9.874 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -0.610 -14.809 10.383 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -1.812 -14.923 9.470 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 9.757 -17.646 15.393 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 9.068 -16.988 15.298 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 9.772 -17.843 16.330 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 6.484 -18.808 10.278 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 6.269 -19.574 10.810 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 7.140 -18.336 10.791 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -4.598 -17.420 11.923 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -3.985 -16.787 12.296 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -4.086 -17.892 11.266 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 6.831 -20.093 13.957 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 6.095 -19.482 13.919 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 7.515 -19.678 13.431 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 5.404 -14.785 15.943 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 5.484 -14.022 16.515 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 4.803 -14.506 15.252 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -2.848 -12.329 8.758 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -3.178 -12.699 7.939 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -2.260 -12.999 9.104 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -1.481 -8.901 11.439 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -1.576 -9.479 10.682 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -0.752 -9.272 11.935 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 3.828 -8.057 13.125 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 3.587 -7.395 13.773 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 3.630 -8.891 13.550 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 1.162 -7.876 16.604 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 1.249 -7.050 17.079 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 0.298 -8.206 16.853 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -4.770 -5.315 8.191 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -4.618 -5.663 9.070 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -5.621 -5.671 7.936 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 7.335 -15.957 18.208 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 6.928 -15.476 17.488 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 7.376 -16.862 17.901 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -2.809 -15.916 8.208 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -3.702 -16.257 8.149 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -2.358 -16.293 7.452 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 2.727 -15.500 7.025 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 2.318 -14.685 6.733 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 3.447 -15.640 6.410 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 3.731 -16.054 9.839 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 3.536 -15.449 9.124 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 3.913 -16.888 9.404 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -0.227 -18.489 9.294 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -1.138 -18.432 9.583 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 0.278 -18.549 10.105 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -3.905 -19.565 7.599 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -4.222 -20.467 7.564 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -3.124 -19.563 7.047 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 7.413 -11.967 14.066 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 8.055 -11.510 13.523 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 6.583 -11.854 13.604 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 4.033 -8.454 16.467 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 3.132 -8.271 16.199 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 4.067 -8.195 17.388 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 5.220 -12.615 12.321 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 4.292 -12.847 12.294 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 5.671 -13.392 11.991 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -2.237 -8.287 8.454 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -1.710 -7.514 8.253 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -3.117 -8.062 8.152 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -0.810 -10.624 8.030 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -1.051 -9.699 8.072 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -1.550 -11.083 8.426 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -0.295 -6.475 14.345 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 0.068 -5.620 14.112 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 0.237 -6.767 15.086 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -2.126 -5.602 7.575 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -3.076 -5.497 7.627 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -1.775 -4.782 7.920 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 3.249 -10.376 14.046 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 2.823 -10.603 14.872 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 3.830 -11.114 13.863 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 3.549 -19.198 5.909 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 3.769 -18.726 5.106 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 4.107 -18.803 6.580 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 0.749 -17.470 6.744 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 1.561 -16.966 6.790 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 0.504 -17.615 7.658 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 1.633 -20.389 7.682 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 1.286 -19.771 8.327 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 2.291 -19.888 7.201 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 7.489 -18.577 16.764 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 6.573 -18.314 16.676 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 7.825 -18.580 15.867 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 6.091 -14.826 10.860 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 5.294 -15.241 10.531 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 6.536 -15.517 11.351 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.327 -21.452 11.219 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.556 -21.393 10.292 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.770 -22.244 11.526 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -6.397 -7.512 7.380 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -7.229 -7.039 7.407 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -5.851 -7.002 6.781 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 4.066 -7.600 19.059 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 3.715 -8.456 19.302 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 4.792 -7.457 19.666 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 5.189 -11.203 16.480 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 5.934 -10.615 16.360 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 4.432 -10.621 16.543 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 2.598 -12.409 19.736 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 3.551 -12.325 19.708 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 2.438 -13.120 20.355 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 4.328 -15.901 20.301 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 4.520 -16.832 20.190 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 5.185 -15.476 20.291 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 5.644 -13.112 18.379 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 5.363 -12.403 17.801 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 6.587 -13.185 18.228 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 4.750 -19.616 20.109 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 4.653 -20.568 20.103 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 4.428 -19.347 20.970 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -8.525 -3.810 7.926 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -9.172 -4.272 7.393 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -8.170 -4.482 8.509 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 7.712 -16.568 12.070 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 8.645 -16.356 12.036 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 7.477 -16.466 12.993 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 7.741 -15.831 14.846 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 6.898 -15.563 15.212 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 8.184 -15.009 14.635 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -7.977 -17.383 18.323 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -7.058 -17.505 18.559 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -8.427 -18.133 18.712 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -6.756 -19.071 11.214 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -6.311 -19.863 11.516 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -6.290 -18.355 11.645 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -8.452 -16.072 12.283 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -7.960 -16.293 11.493 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -8.090 -15.231 12.564 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -8.175 -21.076 14.682 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -8.840 -21.322 15.325 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -8.618 -20.454 14.105 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 1.282 -5.527 18.044 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 1.467 -5.861 18.922 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 2.129 -5.218 17.722 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 8.545 -21.652 16.368 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 7.732 -21.327 15.980 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 8.778 -22.412 15.835 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 1.551 -4.182 13.338 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 1.094 -3.653 12.684 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 1.714 -3.579 14.063 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -4.071 -6.337 10.698 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -4.290 -7.253 10.867 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -3.247 -6.197 11.164 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -1.534 -5.867 11.546 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -1.321 -6.755 11.259 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -1.469 -5.901 12.501 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 7.117 -22.096 10.803 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 7.721 -21.548 10.302 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 6.248 -21.776 10.563 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 8.844 -20.957 9.137 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 9.456 -21.471 8.610 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 9.227 -20.079 9.160 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -5.699 -21.569 8.513 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -6.476 -21.803 8.005 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -5.168 -22.366 8.521 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -1.119 -21.642 8.326 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -0.245 -21.254 8.296 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -1.255 -21.857 9.249 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 0.025 -19.562 5.216 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 0.203 -20.208 5.899 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -0.029 -18.728 5.683 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 4.654 -22.372 19.748 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 4.730 -22.798 20.602 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 5.547 -22.358 19.406 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 3.380 -12.413 27.327 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 3.469 -11.469 27.195 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 2.741 -12.688 26.669 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -7.785 -15.433 26.267 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -8.233 -14.587 26.249 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -8.346 -16.013 25.752 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -7.075 -13.271 28.393 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -6.861 -14.041 28.920 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -6.337 -13.182 27.790 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -3.002 -18.230 28.752 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -2.959 -17.370 28.334 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -3.460 -18.782 28.119 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -1.226 -14.283 28.730 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -0.610 -14.809 29.239 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -1.812 -14.923 28.326 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 3.177 -9.812 26.370 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 2.881 -10.134 25.519 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 2.853 -8.912 26.412 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -7.094 -10.001 24.683 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -7.366 -9.772 23.794 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -7.049 -9.163 25.143 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 2.101 -13.169 24.779 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 1.389 -12.634 24.428 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 2.792 -13.113 24.119 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -2.848 -12.329 27.614 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -3.178 -12.699 26.795 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -2.260 -12.999 27.960 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 4.378 -13.797 23.416 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 4.957 -13.647 24.163 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 4.792 -13.326 22.693 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -4.770 -5.315 27.047 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -4.618 -5.663 27.926 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -5.621 -5.671 26.792 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 5.855 -12.764 21.046 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 5.897 -12.987 20.116 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 6.704 -12.366 21.236 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -2.809 -15.916 27.064 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -3.702 -16.257 27.005 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -2.358 -16.293 26.308 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 2.727 -15.500 25.881 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 2.318 -14.685 25.589 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 3.447 -15.640 25.266 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -8.448 -18.701 27.869 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -7.817 -18.730 28.589 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -7.998 -19.126 27.139 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -0.227 -18.489 28.150 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -1.138 -18.432 28.439 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 0.278 -18.549 28.961 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -5.399 -16.860 26.977 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -6.288 -16.760 26.637 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -5.103 -17.702 26.631 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -3.905 -19.565 26.455 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -4.222 -20.467 26.420 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -3.124 -19.563 25.903 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 0.263 -11.100 24.136 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -0.481 -11.607 23.813 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 0.129 -11.051 25.082 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 4.161 -18.286 22.335 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 3.223 -18.174 22.184 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 4.458 -17.429 22.641 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 4.879 -16.419 23.996 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 5.771 -16.556 24.315 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 4.936 -15.628 23.459 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 2.389 -9.641 23.161 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 2.094 -8.815 23.543 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 1.686 -10.261 23.357 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -2.237 -8.287 27.310 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -1.710 -7.514 27.109 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -3.117 -8.062 27.008 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -0.810 -10.624 26.886 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -1.051 -9.699 26.928 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -1.550 -11.083 27.282 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -2.126 -5.602 26.431 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -3.076 -5.497 26.483 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -1.775 -4.782 26.776 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 5.452 -9.447 21.976 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 5.805 -9.827 22.780 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 4.503 -9.540 22.062 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -5.067 -11.512 23.389 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -5.753 -11.160 23.956 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -4.544 -10.749 23.143 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 3.549 -19.198 24.765 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 3.769 -18.726 23.962 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 4.107 -18.803 25.436 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 1.218 -7.067 23.628 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 0.401 -6.570 23.681 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 1.747 -6.592 22.988 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 0.749 -17.470 25.600 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 1.561 -16.966 25.646 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 0.504 -17.615 26.514 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 1.633 -20.389 26.538 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 1.286 -19.771 27.183 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 2.291 -19.888 26.057 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -1.444 -6.024 23.610 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -1.283 -5.224 23.109 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -1.641 -5.717 24.495 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -6.397 -7.512 26.236 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -7.229 -7.039 26.263 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -5.851 -7.002 25.637 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 1.581 -6.472 20.561 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 0.937 -7.103 20.883 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 2.343 -7.003 20.329 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 2.492 -9.698 20.388 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 2.224 -9.518 21.289 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 2.286 -10.624 20.257 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -0.742 -3.839 22.222 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 0.191 -3.681 22.366 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -1.006 -3.164 21.597 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -8.525 -3.810 26.782 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -9.172 -4.272 26.249 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -8.170 -4.482 27.365 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -8.139 -19.814 25.194 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -9.064 -19.605 25.064 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -7.685 -19.330 24.504 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -5.699 -21.569 27.369 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -6.476 -21.803 26.861 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -5.168 -22.366 27.377 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -6.862 -21.771 23.172 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -6.423 -21.160 22.581 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -7.496 -21.233 23.646 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -1.119 -21.642 27.182 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -0.245 -21.254 27.152 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -1.255 -21.857 28.105 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -6.961 -5.823 24.070 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -7.646 -5.861 23.402 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -6.958 -4.910 24.358 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 1.903 -4.613 22.467 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 2.769 -4.247 22.289 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 1.656 -5.053 21.654 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -3.362 11.767 -0.984 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -3.354 11.631 -1.932 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -4.278 11.649 -0.732 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -8.014 10.740 -6.810 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -7.068 10.596 -6.829 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -8.127 11.524 -6.273 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -4.770 13.541 -10.665 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -4.618 13.193 -9.786 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -5.621 13.185 -10.920 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -2.126 13.254 -11.281 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -3.076 13.359 -11.229 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -1.775 14.074 -10.936 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -6.319 12.070 -4.499 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -6.102 11.138 -4.530 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -6.072 12.344 -3.615 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -6.397 11.344 -11.476 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -7.229 11.817 -11.449 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -5.851 11.854 -12.075 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -7.108 13.957 -0.146 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -6.568 13.740 0.613 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -7.589 13.151 -0.336 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -2.511 12.876 1.474 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -1.743 12.417 1.815 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -2.532 12.650 0.544 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -7.655 13.127 -9.125 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -7.989 12.246 -8.953 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -7.433 13.472 -8.261 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -3.029 11.930 -3.771 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -3.454 12.739 -4.054 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -2.124 12.015 -4.073 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -5.627 15.186 -3.724 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -6.347 15.626 -4.175 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.993 14.935 -2.875 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -3.160 14.786 -4.694 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -4.025 14.858 -4.290 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -3.215 15.333 -5.478 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -4.071 12.519 -8.158 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.290 11.603 -7.989 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.247 12.659 -7.692 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -1.534 12.989 -7.310 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -1.321 12.101 -7.597 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -1.469 12.955 -6.355 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -6.961 13.033 -13.642 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -7.646 12.995 -14.310 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -6.958 13.946 -13.354 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -5.319 5.313 13.483 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -5.277 4.687 14.207 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -4.616 5.936 13.665 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -4.395 9.763 12.018 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -4.765 8.961 11.649 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -3.454 9.594 12.065 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -7.785 3.423 7.411 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -8.233 4.269 7.393 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -8.346 2.843 6.896 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -7.075 5.585 9.537 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -6.861 4.815 10.064 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -6.337 5.674 8.934 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -3.002 0.626 9.896 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -2.959 1.486 9.478 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -3.460 0.074 9.263 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -6.382 3.023 10.658 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -5.728 2.473 11.090 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -6.358 2.749 9.742 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -3.215 9.184 15.045 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -3.221 10.063 14.667 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -4.069 9.101 15.470 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -7.094 8.855 5.827 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -7.366 9.084 4.938 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -7.049 9.693 6.287 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -0.166 -3.150 11.423 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -0.283 -4.099 11.369 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -1.021 -2.818 11.696 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -2.481 5.296 12.391 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -1.916 5.417 11.628 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -2.162 5.933 13.030 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -4.681 5.893 16.337 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -4.611 6.544 17.035 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -5.572 5.996 16.002 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -3.362 11.767 17.872 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -3.354 11.631 16.924 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -4.278 11.649 18.124 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -4.770 13.541 8.191 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -4.618 13.193 9.070 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -5.621 13.185 7.936 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -5.516 9.283 16.205 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -5.299 8.922 17.065 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -6.371 8.909 15.995 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -2.897 -2.247 12.201 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -3.758 -2.334 11.793 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -2.919 -1.391 12.628 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 1.766 -2.525 15.575 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 2.186 -2.940 16.328 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 0.833 -2.703 15.692 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -2.806 2.719 13.296 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -3.448 2.678 14.005 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -2.769 3.645 13.058 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -2.809 2.940 8.208 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -3.702 2.599 8.149 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -2.358 2.563 7.452 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -8.448 0.155 9.013 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -7.817 0.126 9.733 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -7.998 -0.270 8.283 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -5.399 1.996 8.121 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -6.288 2.096 7.781 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -5.103 1.154 7.775 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -4.937 7.748 18.443 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -4.204 8.002 19.004 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -5.717 7.952 18.958 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -3.905 -0.709 7.599 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -4.222 -1.611 7.564 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -3.124 -0.707 7.047 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -0.281 1.543 13.595 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -1.116 1.997 13.705 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 0.243 1.819 14.347 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.612 7.051 11.049 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -3.867 7.049 10.448 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.534 6.227 11.531 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -6.319 12.070 14.357 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -6.102 11.138 14.326 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -6.072 12.344 15.241 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -6.397 11.344 7.380 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -7.229 11.817 7.407 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -5.851 11.854 6.781 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -7.108 13.957 18.710 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -6.568 13.740 19.469 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -7.589 13.151 18.520 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -6.369 4.967 19.084 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -5.961 4.110 18.963 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -6.629 4.982 20.005 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -2.422 3.976 16.458 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -3.040 4.651 16.739 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -2.078 4.297 15.625 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -2.082 1.331 17.541 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -1.932 0.602 16.938 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -2.080 2.108 16.982 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -1.670 -0.299 15.033 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -1.134 0.152 14.381 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.522 -0.407 14.611 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -3.604 2.529 19.452 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.371 1.997 19.242 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -2.925 2.219 18.853 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -0.864 -2.843 15.465 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -0.962 -1.896 15.359 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -1.607 -3.215 14.989 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -0.642 -3.549 18.136 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 0.070 -4.189 18.122 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -0.743 -3.282 17.222 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -0.289 -1.866 20.190 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -0.420 -2.342 19.369 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -0.888 -1.122 20.134 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -0.742 15.017 3.366 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 0.191 15.175 3.510 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -1.006 15.692 2.741 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -8.525 15.046 7.926 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -9.172 14.584 7.393 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -8.170 14.374 8.509 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -7.655 13.127 9.731 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -7.989 12.246 9.903 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -7.433 13.472 10.595 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -8.139 -0.958 6.338 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -9.064 -0.749 6.208 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -7.685 -0.474 5.648 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -5.983 10.955 18.826 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -6.804 11.130 18.366 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -6.235 10.882 19.747 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -3.029 11.930 15.085 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -3.454 12.739 14.802 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -2.124 12.015 14.783 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -5.627 15.186 15.132 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -6.347 15.626 14.681 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -5.993 14.935 15.981 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -3.160 14.786 14.162 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -4.025 14.858 14.566 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -3.215 15.333 13.378 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -6.212 13.809 12.043 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -6.231 13.384 12.900 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -5.407 13.491 11.634 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -4.071 12.519 10.698 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -4.290 11.603 10.867 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -3.247 12.659 11.164 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -5.699 -2.713 8.513 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -6.476 -2.947 8.005 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -5.168 -3.510 8.521 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -1.119 -2.786 8.326 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -0.245 -2.398 8.296 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -1.255 -3.001 9.249 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -6.961 13.033 5.214 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -7.646 12.995 4.546 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -6.958 13.946 5.502 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -5.143 13.953 2.239 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -5.411 14.240 3.112 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -4.372 13.407 2.391 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -1.690 0.413 20.817 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -2.121 -0.032 21.547 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -2.408 0.785 20.305 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -7.173 0.901 23.293 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -6.699 1.492 22.708 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -7.891 1.432 23.640 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -3.072 3.191 22.200 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -3.614 2.811 21.509 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -2.238 3.385 21.771 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -6.482 5.431 21.897 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -5.866 6.058 22.276 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -7.344 5.747 22.168 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -5.067 7.344 23.389 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -5.753 7.696 23.956 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -4.544 8.107 23.143 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -2.710 -0.470 23.226 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -2.793 0.419 23.572 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -1.820 -0.735 23.457 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -4.451 9.958 22.286 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -3.859 10.657 22.562 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -3.992 9.525 21.567 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -6.135 2.622 21.402 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -6.180 3.561 21.581 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -7.023 2.386 21.132 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -2.860 8.111 20.652 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -2.796 7.317 21.183 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -2.207 7.992 19.963 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -7.174 9.653 21.705 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -6.260 9.732 21.978 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -7.167 8.966 21.038 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -8.139 -0.958 25.194 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -9.064 -0.749 25.064 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -7.685 -0.474 24.504 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -6.862 -2.915 23.172 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -6.423 -2.304 22.581 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -7.496 -2.377 23.646 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -5.001 -0.999 21.615 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -4.510 -1.629 21.087 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -4.378 -0.703 22.278 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 2.313 24.554 -6.966 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 2.275 23.908 -6.261 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 1.990 24.088 -7.737 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -7.785 22.279 -11.445 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -8.233 23.125 -11.463 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -8.346 21.699 -11.960 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -7.075 24.441 -9.319 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -6.861 23.671 -8.792 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -6.337 24.530 -9.922 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 3.130 32.598 -8.452 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 3.750 31.921 -8.725 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 2.922 32.380 -7.544 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 0.702 26.987 -6.560 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 1.006 26.301 -7.154 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 1.424 27.105 -5.942 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -3.002 19.482 -8.960 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -2.959 20.342 -9.378 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -3.460 18.930 -9.593 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -1.226 23.429 -8.982 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -0.610 22.903 -8.473 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -1.812 22.789 -9.386 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -7.094 27.711 -13.029 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -7.366 27.940 -13.918 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -7.049 28.549 -12.569 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -0.166 15.706 -7.433 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -0.283 14.757 -7.487 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -1.021 16.038 -7.160 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -2.848 25.383 -10.098 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -3.178 25.013 -10.917 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -2.260 24.713 -9.752 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -2.481 24.152 -6.465 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -1.916 24.273 -7.228 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -2.162 24.789 -5.826 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 3.828 29.655 -5.731 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 3.587 30.317 -5.083 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 3.630 28.821 -5.306 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 2.104 30.652 -10.861 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 2.578 30.947 -10.083 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 1.541 31.390 -11.094 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -3.858 24.453 -12.509 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -4.150 25.221 -13.000 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -4.532 23.793 -12.672 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 1.576 33.608 -12.446 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 1.501 33.487 -13.392 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 1.609 34.558 -12.327 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -4.770 32.397 -10.665 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -4.618 32.049 -9.786 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -5.621 32.041 -10.920 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -2.897 16.609 -6.655 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -3.758 16.522 -7.063 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -2.919 17.465 -6.228 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 1.766 16.331 -3.281 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 2.186 15.916 -2.528 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 0.833 16.153 -3.164 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -2.806 21.575 -5.560 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -3.448 21.534 -4.851 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -2.769 22.501 -5.798 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -2.809 21.796 -10.648 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -3.702 21.455 -10.707 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -2.358 21.419 -11.404 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 1.829 22.387 -0.343 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 1.266 21.683 -0.023 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 2.655 22.267 0.124 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -7.173 19.757 -14.419 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -6.699 20.348 -15.004 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -7.891 20.288 -14.072 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 2.995 23.296 -4.346 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 3.319 22.665 -4.989 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 2.555 22.761 -3.685 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -0.227 19.223 -9.562 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -1.138 19.280 -9.273 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 0.278 19.163 -8.751 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -1.746 20.852 -13.079 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -0.814 20.981 -12.901 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -1.961 21.522 -13.728 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -3.072 22.047 -15.512 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -3.614 21.667 -16.203 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -2.238 22.241 -15.941 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 7.465 34.130 -0.021 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 7.665 34.554 -0.856 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 8.121 34.473 0.586 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -0.281 20.399 -5.261 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -1.116 20.853 -5.151 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 0.243 20.675 -4.509 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 1.783 26.796 -2.339 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 1.437 26.415 -1.533 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 1.583 27.730 -2.268 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 4.033 29.258 -2.389 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 3.132 29.441 -2.657 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 4.067 29.517 -1.468 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -2.237 29.425 -10.402 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -1.710 30.198 -10.603 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -3.117 29.650 -10.704 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -6.482 24.287 -15.815 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -5.866 24.914 -15.436 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -7.344 24.603 -15.544 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -0.810 27.088 -10.826 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -1.051 28.013 -10.784 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -1.550 26.629 -10.430 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -2.126 32.110 -11.281 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -3.076 32.215 -11.229 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -1.775 32.930 -10.936 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 3.249 27.336 -4.810 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 2.823 27.109 -3.984 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 3.830 26.598 -4.993 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 5.908 31.888 -2.341 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 5.306 31.333 -2.836 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 6.189 32.555 -2.967 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -5.067 26.200 -14.323 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -5.753 26.552 -13.756 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -4.544 26.963 -14.569 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 1.285 21.228 -2.927 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 1.404 21.802 -2.170 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 1.940 20.540 -2.812 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -2.710 18.386 -14.486 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -2.793 19.275 -14.140 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -1.820 18.121 -14.255 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -4.451 28.814 -15.426 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -3.859 29.513 -15.150 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -3.992 28.381 -16.145 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -6.135 21.478 -16.310 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -6.180 22.417 -16.131 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -7.023 21.242 -16.580 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -6.397 30.200 -11.476 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -7.229 30.673 -11.449 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -5.851 30.710 -12.075 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 4.066 30.112 0.203 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 3.715 29.256 0.446 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 4.792 30.255 0.810 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 5.189 26.509 -2.376 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 5.934 27.097 -2.496 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 4.432 27.091 -2.313 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 2.598 25.303 0.880 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 3.551 25.387 0.852 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 2.438 24.592 1.499 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -1.670 18.557 -3.823 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -1.134 19.008 -4.475 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -2.522 18.449 -4.245 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -0.088 23.996 -3.583 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 0.663 23.840 -4.156 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -0.427 24.848 -3.859 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 4.328 21.811 1.445 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 4.520 20.880 1.334 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 5.185 22.236 1.435 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -0.864 16.013 -3.391 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -0.962 16.960 -3.497 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -1.607 15.641 -3.867 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 0.400 20.335 0.172 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 0.164 20.115 1.074 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -0.383 20.128 -0.337 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -0.642 15.307 -0.720 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 0.070 14.667 -0.734 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -0.743 15.574 -1.634 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -0.289 16.990 1.334 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -0.420 16.514 0.513 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -0.888 17.734 1.278 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -7.174 28.509 -16.007 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -6.260 28.588 -15.734 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -7.167 27.822 -16.674 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 3.627 33.470 -1.568 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 4.304 32.838 -1.808 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 3.949 33.872 -0.760 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 1.551 33.530 -5.518 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 1.094 34.059 -6.172 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 1.714 34.133 -4.793 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 3.878 32.408 -4.573 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 2.974 32.573 -4.839 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 4.307 33.261 -4.639 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 6.483 33.978 -4.278 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 6.301 34.894 -4.489 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 6.659 33.568 -5.125 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -6.862 15.941 -14.540 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -6.423 16.552 -15.131 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -7.496 16.479 -14.066 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -1.119 16.070 -10.530 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -0.245 16.458 -10.560 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -1.255 15.855 -9.607 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -6.961 31.889 -13.642 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -7.646 31.851 -14.310 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -6.958 32.802 -13.354 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -5.001 17.857 -16.097 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -4.510 17.227 -16.625 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -4.378 18.153 -15.434 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -3.768 16.008 0.710 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -2.869 15.734 0.525 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -4.154 15.265 1.174 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 3.380 25.299 8.471 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 3.469 26.243 8.339 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 2.741 25.024 7.813 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -5.319 24.169 13.483 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -5.277 23.543 14.207 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -4.616 24.792 13.665 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -4.395 28.619 12.018 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -4.765 27.817 11.649 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -3.454 28.450 12.065 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -3.002 19.482 9.896 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -2.959 20.342 9.478 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -3.460 18.930 9.263 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -1.226 23.429 9.874 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -0.610 22.903 10.383 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -1.812 22.789 9.470 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -4.192 18.400 13.970 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -4.411 18.930 13.204 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -4.860 18.627 14.618 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 3.177 27.900 7.514 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 2.881 27.578 6.663 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 2.853 28.800 7.556 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 2.101 24.543 5.923 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 1.389 25.078 5.572 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 2.792 24.599 5.263 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 2.155 23.001 2.962 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 2.856 23.023 3.613 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 2.457 22.373 2.306 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -2.848 25.383 8.758 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -3.178 25.013 7.939 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -2.260 24.713 9.104 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -1.481 28.811 11.439 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -1.576 28.233 10.682 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -0.752 28.440 11.935 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -2.481 24.152 12.391 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -1.916 24.273 11.628 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -2.162 24.789 13.030 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 4.378 23.915 4.560 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 4.957 24.065 5.307 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 4.792 24.386 3.837 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 2.104 30.652 7.995 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 2.578 30.947 8.773 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 1.541 31.390 7.762 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -7.765 26.816 15.162 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -8.266 26.788 14.347 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -7.759 25.910 15.472 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 1.576 33.608 6.410 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 1.501 33.487 5.464 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 1.609 34.558 6.529 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 4.678 32.762 3.413 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 5.053 32.018 2.942 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 4.682 32.492 4.331 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 4.347 32.688 6.162 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 3.412 32.788 6.341 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 4.627 31.979 6.740 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -2.897 16.609 12.201 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -3.758 16.522 11.793 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -2.919 17.465 12.628 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 1.428 18.824 2.860 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 1.174 18.843 3.783 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 1.171 17.952 2.559 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -2.806 21.575 13.296 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -3.448 21.534 14.005 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -2.769 22.501 13.058 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -2.809 21.796 8.208 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -3.702 21.455 8.149 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -2.358 21.419 7.452 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 2.727 22.212 7.025 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 2.318 23.027 6.733 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 3.447 22.072 6.410 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -5.056 21.895 15.163 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -5.094 22.295 16.031 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -5.547 21.078 15.253 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -1.690 19.269 1.961 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -2.121 18.824 2.691 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -2.408 19.641 1.449 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -0.227 19.223 9.294 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -1.138 19.280 9.583 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 0.278 19.163 10.105 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -1.746 20.852 5.777 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -0.814 20.981 5.955 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -1.961 21.522 5.128 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -3.905 18.147 7.599 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -4.222 17.245 7.564 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -3.124 18.149 7.047 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -4.612 25.907 11.049 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -3.867 25.905 10.448 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -4.534 25.083 11.531 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 2.389 28.071 4.305 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 2.094 28.897 4.687 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 1.686 27.451 4.501 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -2.237 29.425 8.454 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -1.710 30.198 8.253 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -3.117 29.650 8.152 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -0.810 27.088 8.030 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -1.051 28.013 8.072 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -1.550 26.629 8.426 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 5.452 28.265 3.120 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 5.805 27.885 3.924 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 4.503 28.172 3.206 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -5.970 19.121 15.922 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -6.863 19.460 15.855 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -6.069 18.266 16.340 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -6.319 30.926 14.357 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -6.102 29.994 14.326 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -6.072 31.200 15.241 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 1.218 30.645 4.772 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.401 31.142 4.825 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 1.747 31.120 4.132 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 0.749 20.242 6.744 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 1.561 20.746 6.790 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 0.504 20.097 7.658 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -2.710 18.386 4.370 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -2.793 19.275 4.716 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -1.820 18.121 4.601 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 6.185 31.057 1.939 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 6.468 30.263 2.392 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 6.925 31.290 1.378 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 2.492 28.014 1.532 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 2.224 28.194 2.433 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 2.286 27.088 1.401 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -1.670 18.557 15.033 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -1.134 19.008 14.381 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -2.522 18.449 14.611 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -7.575 25.058 12.182 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -7.391 24.976 11.247 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -6.726 24.934 12.606 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -7.977 20.329 18.323 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -7.058 20.207 18.559 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -8.427 19.579 18.712 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -5.627 34.042 15.132 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -6.347 34.482 14.681 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -5.993 33.791 15.981 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -6.212 32.665 12.043 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -6.231 32.240 12.900 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -5.407 32.347 11.634 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 -4.071 31.375 10.698 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -4.290 30.459 10.867 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -3.247 31.515 11.164 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -1.534 31.845 11.546 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -1.321 30.957 11.259 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -1.469 31.811 12.501 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -6.862 15.941 4.316 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -6.423 16.552 3.725 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -7.496 16.479 4.790 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -1.119 16.070 8.326 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -0.245 16.458 8.296 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -1.255 15.855 9.249 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -5.001 17.857 2.759 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -4.510 17.227 2.231 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -4.378 18.153 3.422 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 0.025 18.150 5.216 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 0.203 17.504 5.899 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -0.029 18.984 5.683 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 1.903 33.099 3.611 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 2.769 33.465 3.433 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 1.656 32.659 2.798 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -5.741 16.657 18.030 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -6.107 15.892 18.473 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -4.828 16.686 18.317 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -8.139 17.898 25.194 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -9.064 18.107 25.064 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -7.685 18.382 24.504 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -6.862 15.941 23.172 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -6.423 16.552 22.581 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -7.496 16.479 23.646 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 2.313 43.410 -6.966 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 2.275 42.764 -6.261 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 1.990 42.944 -7.737 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -4.395 47.475 -6.838 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -4.765 46.673 -7.207 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -3.454 47.306 -6.791 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 3.843 40.237 -6.232 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 3.986 39.290 -6.212 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 3.737 40.444 -7.161 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 4.720 38.469 -10.559 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 5.366 38.140 -9.934 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 5.230 38.987 -11.182 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -1.226 42.285 -8.982 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -0.610 41.759 -8.473 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -1.812 41.645 -9.386 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -1.623 44.932 -4.598 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -2.363 45.530 -4.495 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -0.909 45.486 -4.914 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -3.215 46.896 -3.811 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -3.221 47.775 -4.189 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -4.069 46.813 -3.386 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -7.094 46.567 -13.029 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -7.366 46.796 -13.918 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -7.049 47.405 -12.569 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 6.831 36.475 -4.899 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 6.095 37.086 -4.937 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 7.515 36.890 -5.425 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 5.404 41.783 -2.913 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 5.484 42.546 -2.341 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 4.803 42.062 -3.604 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -2.848 44.239 -10.098 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -3.178 43.869 -10.917 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -2.260 43.569 -9.752 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -2.481 43.008 -6.465 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -1.916 43.129 -7.228 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -2.162 43.645 -5.826 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -1.601 47.407 -1.748 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -1.913 48.189 -1.292 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -2.251 47.254 -2.434 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 -3.858 43.309 -12.509 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -4.150 44.077 -13.000 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 -4.532 42.649 -12.672 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -8.014 48.452 -6.810 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -7.068 48.308 -6.829 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -8.127 49.236 -6.273 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 7.335 40.611 -0.648 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 6.928 41.092 -1.368 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 7.376 39.706 -0.955 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -5.516 46.995 -2.651 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -5.299 46.634 -1.791 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -6.371 46.621 -2.861 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 5.092 38.943 -2.427 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 4.578 38.817 -1.630 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 4.937 39.855 -2.672 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 2.727 41.068 -11.831 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 2.318 41.883 -12.123 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 3.447 40.928 -12.446 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 3.731 40.514 -9.017 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 3.536 41.119 -9.732 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 3.913 39.680 -9.452 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -7.173 38.613 -14.419 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -6.699 39.204 -15.004 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -7.891 39.144 -14.072 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 2.995 42.152 -4.346 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 3.319 41.521 -4.989 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 2.555 41.617 -3.685 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -1.746 39.708 -13.079 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -0.814 39.837 -12.901 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -1.961 40.378 -13.728 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 4.178 37.314 -6.298 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 3.501 37.445 -5.634 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 3.692 37.159 -7.108 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -3.072 40.903 -15.512 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -3.614 40.523 -16.203 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -2.238 41.097 -15.941 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 -4.937 45.460 -0.413 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 -4.204 45.714 0.148 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 -5.717 45.664 0.102 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 1.093 40.867 -7.675 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 1.657 40.320 -8.222 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 0.945 40.345 -6.886 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -3.905 37.003 -11.257 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -4.222 36.101 -11.292 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -3.124 37.005 -11.809 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 1.783 45.652 -2.339 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 1.437 45.271 -1.533 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 1.583 46.586 -2.268 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -4.612 44.763 -7.807 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -3.867 44.761 -8.408 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -4.534 43.939 -7.325 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 -0.587 42.741 -0.279 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 -0.883 42.575 -1.174 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 0.344 42.521 -0.289 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 -6.482 43.143 -15.815 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 -5.866 43.770 -15.436 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 -7.344 43.459 -15.544 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 -0.810 45.944 -10.826 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 -1.051 46.869 -10.784 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 -1.550 45.485 -10.430 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -5.067 45.056 -14.323 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -5.753 45.408 -13.756 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -4.544 45.819 -14.569 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 3.549 37.370 -12.947 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 3.769 37.842 -13.750 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 4.107 37.765 -12.276 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 0.749 39.098 -12.112 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 1.561 39.602 -12.066 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 0.504 38.953 -11.198 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 1.633 36.179 -11.174 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 1.286 36.797 -10.529 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 2.291 36.680 -11.655 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 -2.710 37.242 -14.486 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 -2.793 38.131 -14.140 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 -1.820 36.977 -14.255 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 7.489 37.991 -2.092 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 6.573 38.254 -2.180 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 7.825 37.988 -2.989 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -6.135 40.334 -16.310 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -6.180 41.273 -16.131 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -7.023 40.098 -16.580 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -7.201 45.479 0.808 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -7.057 44.577 0.522 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -7.974 45.765 0.320 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -0.546 45.449 0.241 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -0.874 45.720 -0.617 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -0.394 44.508 0.153 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -1.711 43.795 -14.754 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -2.170 43.311 -14.068 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -1.456 43.127 -15.390 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -2.422 41.688 -2.398 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -3.040 42.363 -2.117 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -2.078 42.009 -3.231 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 2.598 44.159 0.880 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 3.551 44.243 0.852 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 2.438 43.448 1.499 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 -0.088 42.852 -3.583 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 0.663 42.696 -4.156 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 -0.427 43.704 -3.859 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 4.328 40.667 1.445 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 4.520 39.736 1.334 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 5.185 41.092 1.435 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 5.644 43.456 -0.477 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 5.363 44.165 -1.055 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 6.587 43.383 -0.628 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -3.604 40.241 0.596 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -4.371 39.709 0.386 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -2.925 39.931 -0.003 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 4.750 36.952 1.253 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 4.653 36.000 1.247 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 4.428 37.221 2.114 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 -5.423 38.162 0.301 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 -5.212 37.455 -0.310 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 -5.535 37.724 1.145 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 -5.983 48.667 -0.030 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -6.804 48.842 -0.490 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -6.235 48.594 0.891 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -6.862 34.797 -14.540 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -6.423 35.408 -15.131 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -7.496 35.335 -14.066 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 4.438 34.956 -8.881 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 4.514 35.051 -9.830 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 4.162 34.048 -8.752 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -5.001 36.713 -16.097 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -4.510 36.083 -16.625 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -4.378 37.009 -15.434 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 0.025 37.006 -13.640 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 0.203 36.360 -12.957 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 -0.029 37.840 -13.173 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 4.654 34.196 0.892 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 4.730 33.770 1.746 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 5.547 34.210 0.550 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 -7.075 43.297 9.537 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 -6.861 42.527 10.064 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 -6.337 43.386 8.934 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -3.002 38.338 9.896 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -2.959 39.198 9.478 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -3.460 37.786 9.263 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 -6.382 40.735 10.658 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -5.728 40.185 11.090 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 -6.358 40.461 9.742 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -4.598 39.148 11.923 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 -3.985 39.781 12.296 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -4.086 38.676 11.266 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 -7.094 46.567 5.827 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 -7.366 46.796 4.938 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 -7.049 47.405 6.287 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 -0.166 34.562 11.423 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 -0.283 33.613 11.369 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 -1.021 34.894 11.696 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 2.155 41.857 2.962 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 2.856 41.879 3.613 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 2.457 41.229 2.306 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 -3.858 43.309 6.347 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 -4.150 44.077 5.856 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 -4.532 42.649 6.184 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 -2.897 35.465 12.201 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 -3.758 35.378 11.793 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 -2.919 36.321 12.628 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -2.809 40.652 8.208 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -3.702 40.311 8.149 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -2.358 40.275 7.452 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 -0.227 38.079 9.294 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 -1.138 38.136 9.583 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 0.278 38.019 10.105 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 -1.746 39.708 5.777 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 -0.814 39.837 5.955 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 -1.961 40.378 5.128 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -3.072 40.903 3.344 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -3.614 40.523 2.653 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -2.238 41.097 2.915 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 4.161 38.282 3.479 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 3.223 38.394 3.328 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 4.458 39.139 3.785 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 -6.482 43.143 3.041 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 -5.866 43.770 3.420 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 -7.344 43.459 3.312 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 -5.067 45.056 4.533 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 -5.753 45.408 5.100 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 -4.544 45.819 4.287 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 3.549 37.370 5.909 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 3.769 37.842 5.106 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 4.107 37.765 6.580 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 0.749 39.098 6.744 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 1.561 39.602 6.790 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 0.504 38.953 7.658 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 1.633 36.179 7.682 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 1.286 36.797 8.327 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 2.291 36.680 7.201 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -2.710 37.242 4.370 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -2.793 38.131 4.716 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -1.820 36.977 4.601 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -5.327 35.116 11.219 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 -5.556 35.175 10.292 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -5.770 34.324 11.526 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 -2.860 45.823 1.796 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 -2.796 45.029 2.327 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 -2.207 45.704 1.107 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 -0.640 42.038 2.365 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 -0.820 41.884 1.437 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 0.311 42.146 2.409 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -7.174 47.365 2.849 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -6.260 47.444 3.122 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -7.167 46.678 2.182 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -7.575 43.914 12.182 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -7.391 43.832 11.247 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -6.726 43.790 12.606 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 7.468 37.864 1.668 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 8.078 37.492 2.305 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 6.631 37.442 1.864 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 -6.756 37.497 11.214 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 -6.311 36.705 11.516 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 -6.290 38.213 11.645 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -8.452 40.496 12.283 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -7.960 40.275 11.493 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -8.090 41.337 12.564 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 -8.175 35.492 14.682 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 -8.840 35.246 15.325 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 -8.618 36.114 14.105 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 -1.119 34.926 8.326 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 -0.245 35.314 8.296 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 -1.255 34.711 9.249 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 0.025 37.006 5.216 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 0.203 36.360 5.899 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 -0.029 37.840 5.683 0.00 0.00 WAT1 END