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 0.866 -24.523 15.337 1.00 61.34 ATOM 2 CB MET 1 2.767 -24.332 14.371 1.00 45.15 ATOM 3 HB1 MET 1 3.247 -23.633 13.695 1.00 37.38 ATOM 4 HB2 MET 1 2.820 -25.323 13.941 1.00 4.11 ATOM 5 CG MET 1 3.534 -24.349 15.683 1.00 63.21 ATOM 6 HG1 MET 1 3.143 -25.146 16.298 1.00 37.38 ATOM 7 HG2 MET 1 3.384 -23.404 16.188 1.00 41.02 ATOM 8 SD MET 1 5.306 -24.587 15.449 1.00 62.00 ATOM 9 CE MET 1 5.549 -26.157 16.277 1.00 4.50 ATOM 10 HE1 MET 1 4.945 -26.914 15.799 1.00 24.42 ATOM 11 HE2 MET 1 5.259 -26.066 17.313 1.00 53.35 ATOM 12 HE3 MET 1 6.590 -26.438 16.218 1.00 64.00 ATOM 13 C MET 1 1.179 -22.460 14.852 1.00 41.12 ATOM 14 O MET 1 1.770 -21.619 14.176 1.00 4.01 ATOM 15 N MET 1 0.554 -24.273 13.315 1.00 43.55 ATOM 16 HT1 MET 1 0.929 -23.744 12.496 1.00 37.38 ATOM 17 HT2 MET 1 -0.454 -24.033 13.433 1.00 37.38 ATOM 18 HT3 MET 1 0.624 -25.293 13.112 1.00 37.38 ATOM 19 CA MET 1 1.295 -23.946 14.527 1.00 4.23 ATOM 20 N GLY 2 0.412 -22.144 15.891 1.00 2.30 ATOM 21 HN GLY 2 -0.043 -22.851 16.403 1.00 37.38 ATOM 22 CA GLY 2 0.232 -20.759 16.286 1.00 3.11 ATOM 23 HA1 GLY 2 -0.785 -20.636 16.629 1.00 37.38 ATOM 24 HA2 GLY 2 0.386 -20.100 15.439 1.00 71.35 ATOM 25 C GLY 2 1.164 -20.351 17.410 1.00 31.01 ATOM 26 O GLY 2 0.804 -20.433 18.585 1.00 1.51 ATOM 27 N HIS 3 2.366 -19.912 17.051 1.00 60.04 ATOM 28 HN HIS 3 2.606 -19.867 16.097 1.00 37.38 ATOM 29 CA HIS 3 3.353 -19.491 18.038 1.00 0.25 ATOM 30 HA HIS 3 2.912 -19.595 19.020 1.00 42.23 ATOM 31 CB HIS 3 4.597 -20.377 17.958 1.00 54.43 ATOM 32 HB1 HIS 3 5.199 -20.090 17.104 1.00 37.38 ATOM 33 HB2 HIS 3 4.287 -21.406 17.837 1.00 53.22 ATOM 34 CG HIS 3 5.460 -20.310 19.180 1.00 72.12 ATOM 35 ND1 HIS 3 4.957 -20.093 20.445 1.00 21.24 ATOM 36 HD1 HIS 3 4.015 -19.973 20.679 1.00 20.33 ATOM 37 CD2 HIS 3 6.800 -20.435 19.325 1.00 32.12 ATOM 38 HD2 HIS 3 7.516 -20.614 18.536 1.00 20.03 ATOM 39 CE1 HIS 3 5.951 -20.086 21.316 1.00 14.21 ATOM 40 HE1 HIS 3 5.856 -19.938 22.382 1.00 13.54 ATOM 41 NE2 HIS 3 7.079 -20.292 20.662 1.00 45.41 ATOM 42 HE2 HIS 3 7.976 -20.247 21.055 1.00 37.38 ATOM 43 C HIS 3 3.740 -18.030 17.831 1.00 43.23 ATOM 44 O HIS 3 4.223 -17.651 16.763 1.00 11.51 ATOM 45 N HIS 4 3.525 -17.214 18.858 1.00 40.44 ATOM 46 HN HIS 4 3.137 -17.563 19.692 1.00 37.38 ATOM 47 CA HIS 4 3.852 -15.794 18.787 1.00 15.23 ATOM 48 HA HIS 4 3.486 -15.336 19.695 1.00 63.43 ATOM 49 CB HIS 4 5.365 -15.601 18.690 1.00 22.13 ATOM 50 HB1 HIS 4 5.700 -15.792 17.678 1.00 37.38 ATOM 51 HB2 HIS 4 5.850 -16.302 19.355 1.00 1.14 ATOM 52 CG HIS 4 5.820 -14.229 19.080 1.00 5.41 ATOM 53 ND1 HIS 4 7.137 -13.825 19.013 1.00 24.22 ATOM 54 HD1 HIS 4 7.890 -14.376 18.714 1.00 62.41 ATOM 55 CD2 HIS 4 5.125 -13.163 19.542 1.00 41.13 ATOM 56 HD2 HIS 4 4.059 -13.121 19.719 1.00 44.34 ATOM 57 CE1 HIS 4 7.233 -12.571 19.418 1.00 34.45 ATOM 58 HE1 HIS 4 8.143 -11.992 19.472 1.00 70.04 ATOM 59 NE2 HIS 4 6.025 -12.146 19.744 1.00 24.04 ATOM 60 HE2 HIS 4 5.797 -11.225 19.989 1.00 37.38 ATOM 61 C HIS 4 3.166 -15.137 17.593 1.00 33.10 ATOM 62 O HIS 4 3.812 -14.478 16.778 1.00 1.32 ATOM 63 N HIS 5 1.853 -15.323 17.495 1.00 41.51 ATOM 64 HN HIS 5 1.383 -15.863 18.171 1.00 37.38 ATOM 65 CA HIS 5 1.080 -14.748 16.400 1.00 74.13 ATOM 66 HA HIS 5 1.746 -14.154 15.780 1.00 53.33 ATOM 67 CB HIS 5 0.473 -15.857 15.539 1.00 3.01 ATOM 68 HB1 HIS 5 -0.450 -16.209 15.983 1.00 37.38 ATOM 69 HB2 HIS 5 1.170 -16.683 15.487 1.00 31.11 ATOM 70 CG HIS 5 0.177 -15.431 14.134 1.00 5.32 ATOM 71 ND1 HIS 5 0.838 -15.943 13.037 1.00 32.14 ATOM 72 HD1 HIS 5 1.549 -16.617 13.060 1.00 63.04 ATOM 73 CD2 HIS 5 -0.715 -14.536 13.650 1.00 74.12 ATOM 74 HD2 HIS 5 -1.406 -13.942 14.231 1.00 73.51 ATOM 75 CE1 HIS 5 0.365 -15.381 11.939 1.00 1.24 ATOM 76 HE1 HIS 5 0.693 -15.589 10.931 1.00 44.13 ATOM 77 NE2 HIS 5 -0.579 -14.523 12.283 1.00 21.55 ATOM 78 HE2 HIS 5 -1.026 -13.900 11.673 1.00 37.38 ATOM 79 C HIS 5 -0.025 -13.840 16.932 1.00 23.03 ATOM 80 O HIS 5 -0.843 -14.256 17.753 1.00 73.43 ATOM 81 N HIS 6 -0.041 -12.597 16.461 1.00 21.12 ATOM 82 HN HIS 6 0.649 -12.312 15.816 1.00 37.38 ATOM 83 CA HIS 6 -1.045 -11.630 16.890 1.00 2.14 ATOM 84 HA HIS 6 -1.960 -12.166 17.123 1.00 41.54 ATOM 85 CB HIS 6 -0.564 -10.883 18.135 1.00 53.32 ATOM 86 HB1 HIS 6 0.030 -10.023 17.849 1.00 37.38 ATOM 87 HB2 HIS 6 0.049 -11.546 18.730 1.00 45.42 ATOM 88 CG HIS 6 -1.679 -10.405 19.014 1.00 23.54 ATOM 89 ND1 HIS 6 -1.955 -9.070 19.221 1.00 33.51 ATOM 90 HD1 HIS 6 -1.467 -8.317 18.828 1.00 31.54 ATOM 91 CD2 HIS 6 -2.589 -11.094 19.741 1.00 15.15 ATOM 92 HD2 HIS 6 -2.670 -12.170 19.814 1.00 73.34 ATOM 93 CE1 HIS 6 -2.987 -8.958 20.039 1.00 60.44 ATOM 94 HE1 HIS 6 -3.426 -8.032 20.379 1.00 13.30 ATOM 95 NE2 HIS 6 -3.391 -10.172 20.369 1.00 42.13 ATOM 96 HE2 HIS 6 -4.077 -10.376 21.038 1.00 37.38 ATOM 97 C HIS 6 -1.355 -10.637 15.774 1.00 4.12 ATOM 98 O HIS 6 -0.656 -10.588 14.761 1.00 3.44 ATOM 99 N HIS 7 -2.407 -9.848 15.966 1.00 41.40 ATOM 100 HN HIS 7 -2.953 -9.943 16.775 1.00 37.38 ATOM 101 CA HIS 7 -2.809 -8.856 14.975 1.00 13.21 ATOM 102 HA HIS 7 -2.099 -8.853 14.158 1.00 55.21 ATOM 103 CB HIS 7 -4.189 -9.197 14.412 1.00 71.20 ATOM 104 HB1 HIS 7 -4.460 -8.468 13.660 1.00 37.38 ATOM 105 HB2 HIS 7 -4.916 -9.168 15.212 1.00 73.33 ATOM 106 CG HIS 7 -4.261 -10.556 13.785 1.00 2.42 ATOM 107 ND1 HIS 7 -4.193 -11.725 14.513 1.00 52.20 ATOM 108 HD1 HIS 7 -4.093 -11.789 15.486 1.00 2.43 ATOM 109 CD2 HIS 7 -4.397 -10.927 12.491 1.00 62.33 ATOM 110 HD2 HIS 7 -4.481 -10.266 11.640 1.00 41.02 ATOM 111 CE1 HIS 7 -4.283 -12.757 13.693 1.00 3.12 ATOM 112 HE1 HIS 7 -4.260 -13.797 13.982 1.00 23.23 ATOM 113 NE2 HIS 7 -4.408 -12.300 12.460 1.00 25.12 ATOM 114 HE2 HIS 7 -4.590 -12.850 11.670 1.00 37.38 ATOM 115 C HIS 7 -2.827 -7.457 15.583 1.00 0.42 ATOM 116 O HIS 7 -2.589 -7.285 16.779 1.00 23.22 ATOM 117 N HIS 8 -3.110 -6.459 14.752 1.00 50.32 ATOM 118 HN HIS 8 -3.273 -6.650 13.798 1.00 37.38 ATOM 119 CA HIS 8 -3.158 -5.074 15.208 1.00 75.12 ATOM 120 HA HIS 8 -3.306 -5.062 16.283 1.00 23.11 ATOM 121 CB HIS 8 -1.841 -4.365 14.892 1.00 14.43 ATOM 122 HB1 HIS 8 -1.835 -3.401 15.379 1.00 37.38 ATOM 123 HB2 HIS 8 -1.754 -4.224 13.822 1.00 1.31 ATOM 124 CG HIS 8 -0.631 -5.119 15.349 1.00 45.24 ATOM 125 ND1 HIS 8 -0.097 -4.992 16.614 1.00 53.21 ATOM 126 HD1 HIS 8 -0.442 -4.413 17.325 1.00 71.45 ATOM 127 CD2 HIS 8 0.151 -6.014 14.701 1.00 71.32 ATOM 128 HD2 HIS 8 0.025 -6.356 13.683 1.00 44.20 ATOM 129 CE1 HIS 8 0.961 -5.775 16.724 1.00 33.21 ATOM 130 HE1 HIS 8 1.579 -5.882 17.603 1.00 13.12 ATOM 131 NE2 HIS 8 1.133 -6.407 15.577 1.00 34.10 ATOM 132 HE2 HIS 8 1.900 -6.975 15.355 1.00 37.38 ATOM 133 C HIS 8 -4.320 -4.328 14.558 1.00 71.41 ATOM 134 O HIS 8 -4.660 -4.576 13.401 1.00 20.31 ATOM 135 N SER 9 -4.925 -3.415 15.310 1.00 14.20 ATOM 136 HN SER 9 -4.615 -3.267 16.236 1.00 37.38 ATOM 137 CA SER 9 -6.052 -2.636 14.809 1.00 61.34 ATOM 138 HA SER 9 -5.895 -2.445 13.753 1.00 41.03 ATOM 139 CB SER 9 -7.355 -3.419 14.977 1.00 34.31 ATOM 140 HB1 SER 9 -7.471 -3.701 16.013 1.00 37.38 ATOM 141 HB2 SER 9 -7.320 -4.308 14.364 1.00 51.33 ATOM 142 OG SER 9 -8.473 -2.639 14.589 1.00 1.11 ATOM 143 HG SER 9 -8.559 -2.651 13.632 1.00 51.00 ATOM 144 C SER 9 -6.152 -1.297 15.533 1.00 34.42 ATOM 145 O SER 9 -5.774 -1.179 16.699 1.00 23.31 ATOM 146 N HIS 10 -6.666 -0.290 14.834 1.00 64.22 ATOM 147 HN HIS 10 -6.940 -0.441 13.898 1.00 37.38 ATOM 148 CA HIS 10 -6.817 1.041 15.410 1.00 51.44 ATOM 149 HA HIS 10 -7.056 0.932 16.463 1.00 61.04 ATOM 150 CB HIS 10 -5.509 1.824 15.288 1.00 55.40 ATOM 151 HB1 HIS 10 -4.793 1.412 15.985 1.00 37.38 ATOM 152 HB2 HIS 10 -5.678 2.865 15.535 1.00 13.51 ATOM 153 CG HIS 10 -4.899 1.762 13.922 1.00 62.02 ATOM 154 ND1 HIS 10 -4.121 0.707 13.493 1.00 52.35 ATOM 155 HD1 HIS 10 -3.892 -0.087 14.020 1.00 30.22 ATOM 156 CD2 HIS 10 -4.956 2.631 12.886 1.00 54.22 ATOM 157 HD2 HIS 10 -5.484 3.574 12.869 1.00 20.41 ATOM 158 CE1 HIS 10 -3.725 0.931 12.252 1.00 14.22 ATOM 159 HE1 HIS 10 -3.104 0.276 11.659 1.00 64.03 ATOM 160 NE2 HIS 10 -4.219 2.092 11.860 1.00 31.04 ATOM 161 HE2 HIS 10 -4.161 2.452 10.950 1.00 37.38 ATOM 162 C HIS 10 -7.946 1.804 14.724 1.00 54.51 ATOM 163 O HIS 10 -7.958 1.948 13.502 1.00 53.42 ATOM 164 N MET 11 -8.894 2.290 15.519 1.00 2.42 ATOM 165 HN MET 11 -8.827 2.158 16.495 1.00 37.38 ATOM 166 CA MET 11 -10.027 3.039 14.988 1.00 10.11 ATOM 167 HA MET 11 -10.179 2.740 13.954 1.00 52.44 ATOM 168 CB MET 11 -11.294 2.719 15.783 1.00 15.30 ATOM 169 HB1 MET 11 -11.357 3.357 16.657 1.00 37.38 ATOM 170 HB2 MET 11 -11.233 1.691 16.120 1.00 72.24 ATOM 171 CG MET 11 -12.572 2.850 14.969 1.00 4.51 ATOM 172 HG1 MET 11 -13.304 2.164 15.371 1.00 37.38 ATOM 173 HG2 MET 11 -12.373 2.584 13.938 1.00 3.12 ATOM 174 SD MET 11 -13.253 4.519 15.010 1.00 10.31 ATOM 175 CE MET 11 -14.404 4.382 16.375 1.00 32.54 ATOM 176 HE1 MET 11 -13.867 4.112 17.273 1.00 43.24 ATOM 177 HE2 MET 11 -15.138 3.622 16.152 1.00 64.41 ATOM 178 HE3 MET 11 -14.901 5.329 16.523 1.00 12.21 ATOM 179 C MET 11 -9.754 4.539 15.026 1.00 4.25 ATOM 180 O MET 11 -9.113 5.039 15.951 1.00 52.33 ATOM 181 N ALA 12 -10.243 5.251 14.017 1.00 41.43 ATOM 182 HN ALA 12 -10.747 4.791 13.303 1.00 37.38 ATOM 183 CA ALA 12 -10.052 6.694 13.937 1.00 54.34 ATOM 184 HA ALA 12 -8.992 6.886 13.832 1.00 41.04 ATOM 185 CB ALA 12 -10.755 7.252 12.708 1.00 53.10 ATOM 186 HB1 ALA 12 -10.560 8.312 12.626 1.00 1.10 ATOM 187 HB2 ALA 12 -11.820 7.087 12.791 1.00 62.51 ATOM 188 HB3 ALA 12 -10.384 6.751 11.826 1.00 31.13 ATOM 189 C ALA 12 -10.559 7.386 15.198 1.00 70.32 ATOM 190 O ALA 12 -11.374 6.833 15.937 1.00 55.34 ATOM 191 N LYS 13 -10.070 8.597 15.440 1.00 54.55 ATOM 192 HN LYS 13 -9.409 8.988 14.821 1.00 37.38 ATOM 193 CA LYS 13 -10.474 9.366 16.611 1.00 25.23 ATOM 194 HA LYS 13 -11.369 8.931 17.038 1.00 12.44 ATOM 195 CB LYS 13 -9.376 9.324 17.677 1.00 62.33 ATOM 196 HB1 LYS 13 -9.386 8.344 18.134 1.00 37.38 ATOM 197 HB2 LYS 13 -9.584 10.065 18.441 1.00 44.04 ATOM 198 CG LYS 13 -7.983 9.574 17.125 1.00 1.02 ATOM 199 HG1 LYS 13 -7.952 10.545 16.652 1.00 37.38 ATOM 200 HG2 LYS 13 -7.759 8.813 16.391 1.00 22.25 ATOM 201 CD LYS 13 -6.929 9.502 18.218 1.00 53.43 ATOM 202 HD1 LYS 13 -5.977 9.273 17.762 1.00 37.38 ATOM 203 HD2 LYS 13 -7.182 8.723 18.926 1.00 61.41 ATOM 204 CE LYS 13 -6.806 10.824 18.960 1.00 4.22 ATOM 205 HE1 LYS 13 -7.785 11.128 19.307 1.00 37.38 ATOM 206 HE2 LYS 13 -6.419 11.569 18.281 1.00 23.21 ATOM 207 NZ LYS 13 -5.894 10.718 20.133 1.00 41.42 ATOM 208 HZ1 LYS 13 -5.831 11.637 20.617 1.00 44.44 ATOM 209 HZ2 LYS 13 -4.939 10.438 19.826 1.00 34.12 ATOM 210 HZ3 LYS 13 -6.252 10.009 20.807 1.00 54.35 ATOM 211 C LYS 13 -10.776 10.813 16.235 1.00 34.23 ATOM 212 O LYS 13 -10.050 11.738 16.597 1.00 45.43 ATOM 213 N PRO 14 -11.876 11.015 15.494 1.00 64.34 ATOM 214 CA PRO 14 -12.301 12.347 15.055 1.00 45.33 ATOM 215 HA PRO 14 -11.503 12.863 14.537 1.00 63.12 ATOM 216 CB PRO 14 -13.438 12.052 14.074 1.00 63.44 ATOM 217 HB1 PRO 14 -13.040 12.007 13.071 1.00 37.38 ATOM 218 HB2 PRO 14 -14.201 12.820 14.124 1.00 2.30 ATOM 219 CG PRO 14 -13.968 10.725 14.497 1.00 41.32 ATOM 220 HG1 PRO 14 -14.397 10.213 13.648 1.00 37.38 ATOM 221 HG2 PRO 14 -14.709 10.856 15.272 1.00 61.03 ATOM 222 CD PRO 14 -12.789 9.958 15.027 1.00 65.21 ATOM 223 HD1 PRO 14 -12.334 9.374 14.241 1.00 37.38 ATOM 224 HD2 PRO 14 -13.099 9.322 15.841 1.00 20.24 ATOM 225 C PRO 14 -12.804 13.205 16.210 1.00 3.25 ATOM 226 O PRO 14 -13.378 12.695 17.173 1.00 22.30 ATOM 227 N THR 15 -12.585 14.513 16.110 1.00 74.22 ATOM 228 HN THR 15 -12.128 14.867 15.310 1.00 37.38 ATOM 229 CA THR 15 -13.016 15.442 17.147 1.00 71.31 ATOM 230 HA THR 15 -12.765 15.013 18.114 1.00 33.53 ATOM 231 CB THR 15 -12.300 16.800 17.017 1.00 34.54 ATOM 232 HB THR 15 -12.842 17.548 17.586 1.00 20.03 ATOM 233 OG1 THR 15 -12.258 17.202 15.644 1.00 64.32 ATOM 234 HG1 THR 15 -12.180 18.158 15.589 1.00 33.30 ATOM 235 CG2 THR 15 -10.886 16.721 17.572 1.00 32.04 ATOM 236 HG21 THR 15 -10.407 17.683 17.469 1.00 24.25 ATOM 237 HG22 THR 15 -10.322 15.979 17.024 1.00 4.24 ATOM 238 HG23 THR 15 -10.921 16.448 18.617 1.00 20.45 ATOM 239 C THR 15 -14.523 15.667 17.092 1.00 23.02 ATOM 240 O THR 15 -15.117 15.694 16.015 1.00 41.11 ATOM 241 N ALA 16 -15.135 15.829 18.261 1.00 70.25 ATOM 242 HN ALA 16 -14.605 15.812 19.094 1.00 37.38 ATOM 243 CA ALA 16 -16.573 16.055 18.345 1.00 65.32 ATOM 244 HA ALA 16 -17.045 15.651 17.454 1.00 24.43 ATOM 245 CB ALA 16 -17.155 15.307 19.535 1.00 74.12 ATOM 246 HB1 ALA 16 -16.729 15.692 20.451 1.00 3.31 ATOM 247 HB2 ALA 16 -16.921 14.256 19.446 1.00 42.40 ATOM 248 HB3 ALA 16 -18.229 15.434 19.555 1.00 34.52 ATOM 249 C ALA 16 -16.889 17.543 18.446 1.00 74.20 ATOM 250 O ALA 16 -16.623 18.176 19.468 1.00 74.31 ATOM 251 N ARG 17 -17.458 18.096 17.380 1.00 73.23 ATOM 252 HN ARG 17 -17.637 17.545 16.581 1.00 37.38 ATOM 253 CA ARG 17 -17.809 19.510 17.348 1.00 14.44 ATOM 254 HA ARG 17 -17.903 19.874 18.367 1.00 32.54 ATOM 255 CB ARG 17 -16.723 20.312 16.630 1.00 65.35 ATOM 256 HB1 ARG 17 -17.140 21.253 16.288 1.00 37.38 ATOM 257 HB2 ARG 17 -16.384 19.750 15.770 1.00 63.33 ATOM 258 CG ARG 17 -15.519 20.626 17.503 1.00 14.54 ATOM 259 HG1 ARG 17 -15.078 19.699 17.837 1.00 37.38 ATOM 260 HG2 ARG 17 -15.846 21.200 18.357 1.00 55.13 ATOM 261 CD ARG 17 -14.473 21.426 16.743 1.00 1.44 ATOM 262 HD1 ARG 17 -14.228 20.911 15.824 1.00 37.38 ATOM 263 HD2 ARG 17 -13.586 21.498 17.357 1.00 23.44 ATOM 264 NE ARG 17 -14.938 22.774 16.425 1.00 34.51 ATOM 265 HE ARG 17 -15.865 23.011 16.661 1.00 23.13 ATOM 266 CZ ARG 17 -14.181 23.693 15.837 1.00 72.10 ATOM 267 NH1 ARG 17 -12.929 23.411 15.504 1.00 0.44 ATOM 268 HH11 ARG 17 -12.533 22.512 15.686 1.00 75.21 ATOM 269 HH12 ARG 17 -12.364 24.110 15.060 1.00 13.14 ATOM 270 NH2 ARG 17 -14.677 24.897 15.580 1.00 64.31 ATOM 271 HH21 ARG 17 -15.623 25.116 15.829 1.00 72.51 ATOM 272 HH22 ARG 17 -14.108 25.593 15.137 1.00 30.14 ATOM 273 C ARG 17 -19.153 19.722 16.657 1.00 33.13 ATOM 274 O ARG 17 -19.626 18.858 15.920 1.00 53.33 ATOM 275 N GLY 18 -19.764 20.877 16.902 1.00 0.34 ATOM 276 HN GLY 18 -19.341 21.532 17.508 1.00 37.38 ATOM 277 CA GLY 18 -21.047 21.181 16.297 1.00 14.11 ATOM 278 HA1 GLY 18 -21.802 20.568 16.767 1.00 37.38 ATOM 279 HA2 GLY 18 -21.013 20.936 15.241 1.00 55.42 ATOM 280 C GLY 18 -21.436 22.637 16.461 1.00 1.15 ATOM 281 O GLY 18 -21.644 23.107 17.579 1.00 13.52 ATOM 282 N GLU 19 -21.532 23.352 15.345 1.00 43.21 ATOM 283 HN GLU 19 -21.346 22.922 14.476 1.00 37.38 ATOM 284 CA GLU 19 -21.895 24.764 15.372 1.00 52.13 ATOM 285 HA GLU 19 -22.787 24.872 15.979 1.00 53.53 ATOM 286 CB GLU 19 -20.770 25.591 15.997 1.00 40.53 ATOM 287 HB1 GLU 19 -20.539 25.182 16.968 1.00 37.38 ATOM 288 HB2 GLU 19 -21.117 26.606 16.134 1.00 70.11 ATOM 289 CG GLU 19 -19.490 25.595 15.178 1.00 20.10 ATOM 290 HG1 GLU 19 -19.379 24.646 14.669 1.00 37.38 ATOM 291 HG2 GLU 19 -18.656 25.735 15.850 1.00 40.33 ATOM 292 CD GLU 19 -19.460 26.707 14.147 1.00 23.43 ATOM 293 OE1 GLU 19 -19.939 27.817 14.457 1.00 1.23 ATOM 294 OE2 GLU 19 -18.956 26.465 13.030 1.00 11.41 ATOM 295 C GLU 19 -22.196 25.275 13.966 1.00 54.13 ATOM 296 O GLU 19 -21.644 24.781 12.983 1.00 53.41 ATOM 297 N ALA 20 -23.077 26.267 13.879 1.00 44.00 ATOM 298 HN ALA 20 -23.497 26.614 14.703 1.00 37.38 ATOM 299 CA ALA 20 -23.451 26.846 12.595 1.00 43.32 ATOM 300 HA ALA 20 -22.548 26.978 12.007 1.00 73.15 ATOM 301 CB ALA 20 -24.364 25.897 11.834 1.00 72.14 ATOM 302 HB1 ALA 20 -24.589 26.310 10.860 1.00 61.23 ATOM 303 HB2 ALA 20 -25.282 25.754 12.386 1.00 4.43 ATOM 304 HB3 ALA 20 -23.868 24.945 11.713 1.00 73.44 ATOM 305 C ALA 20 -24.128 28.200 12.780 1.00 44.24 ATOM 306 O ALA 20 -25.165 28.303 13.433 1.00 71.53 ATOM 307 N GLY 21 -23.532 29.238 12.200 1.00 13.51 ATOM 308 HN GLY 21 -22.706 29.106 11.699 1.00 37.38 ATOM 309 CA GLY 21 -24.092 30.573 12.314 1.00 62.33 ATOM 310 HA1 GLY 21 -23.282 31.286 12.275 1.00 37.38 ATOM 311 HA2 GLY 21 -24.601 30.685 13.264 1.00 71.21 ATOM 312 C GLY 21 -25.064 30.891 11.195 1.00 63.00 ATOM 313 O GLY 21 -26.160 31.394 11.440 1.00 1.33 ATOM 314 N SER 22 -24.661 30.599 9.962 1.00 32.44 ATOM 315 HN SER 22 -23.781 30.193 9.818 1.00 37.38 ATOM 316 CA SER 22 -25.503 30.862 8.801 1.00 65.02 ATOM 317 HA SER 22 -26.437 31.305 9.124 1.00 72.12 ATOM 318 CB SER 22 -24.809 31.843 7.854 1.00 65.11 ATOM 319 HB1 SER 22 -25.306 31.846 6.892 1.00 37.38 ATOM 320 HB2 SER 22 -23.782 31.550 7.721 1.00 73.42 ATOM 321 OG SER 22 -24.841 33.161 8.372 1.00 4.43 ATOM 322 HG SER 22 -24.378 33.752 7.774 1.00 13.22 ATOM 323 C SER 22 -25.828 29.568 8.061 1.00 34.14 ATOM 324 O SER 22 -25.301 28.504 8.387 1.00 13.25 ATOM 325 N ARG 23 -26.701 29.667 7.064 1.00 41.41 ATOM 326 HN ARG 23 -27.086 30.550 6.845 1.00 37.38 ATOM 327 CA ARG 23 -27.099 28.506 6.278 1.00 21.42 ATOM 328 HA ARG 23 -27.331 27.698 6.962 1.00 34.00 ATOM 329 CB ARG 23 -28.346 28.825 5.451 1.00 3.34 ATOM 330 HB1 ARG 23 -28.084 29.534 4.674 1.00 37.38 ATOM 331 HB2 ARG 23 -29.076 29.279 6.104 1.00 11.54 ATOM 332 CG ARG 23 -28.976 27.604 4.803 1.00 33.31 ATOM 333 HG1 ARG 23 -29.325 26.937 5.578 1.00 37.38 ATOM 334 HG2 ARG 23 -28.237 27.100 4.197 1.00 1.40 ATOM 335 CD ARG 23 -30.151 27.987 3.917 1.00 42.24 ATOM 336 HD1 ARG 23 -30.609 27.085 3.538 1.00 37.38 ATOM 337 HD2 ARG 23 -29.775 28.574 3.091 1.00 14.12 ATOM 338 NE ARG 23 -31.154 28.762 4.642 1.00 32.42 ATOM 339 HE ARG 23 -31.080 28.817 5.622 1.00 75.52 ATOM 340 CZ ARG 23 -32.171 29.382 4.054 1.00 63.13 ATOM 341 NH1 ARG 23 -32.318 29.319 2.738 1.00 61.45 ATOM 342 HH11 ARG 23 -31.679 28.810 2.165 1.00 2.23 ATOM 343 HH12 ARG 23 -33.088 29.792 2.303 1.00 60.41 ATOM 344 NH2 ARG 23 -33.043 30.067 4.782 1.00 1.10 ATOM 345 HH21 ARG 23 -32.937 30.119 5.777 1.00 73.15 ATOM 346 HH22 ARG 23 -33.811 30.536 4.340 1.00 33.43 ATOM 347 C ARG 23 -25.967 28.057 5.359 1.00 43.55 ATOM 348 O ARG 23 -25.809 26.867 5.086 1.00 12.30 ATOM 349 N ASP 24 -25.182 29.018 4.883 1.00 11.44 ATOM 350 HN ASP 24 -25.356 29.957 5.125 1.00 37.38 ATOM 351 CA ASP 24 -24.064 28.723 3.995 1.00 51.12 ATOM 352 HA ASP 24 -24.387 27.982 3.271 1.00 63.12 ATOM 353 CB ASP 24 -23.629 29.987 3.251 1.00 62.41 ATOM 354 HB1 ASP 24 -22.669 29.820 2.777 1.00 37.38 ATOM 355 HB2 ASP 24 -23.539 30.800 3.955 1.00 14.13 ATOM 356 CG ASP 24 -24.617 30.395 2.176 1.00 1.33 ATOM 357 OD1 ASP 24 -25.831 30.180 2.374 1.00 54.42 ATOM 358 OD2 ASP 24 -24.176 30.931 1.138 1.00 30.21 ATOM 359 C ASP 24 -22.887 28.146 4.775 1.00 12.44 ATOM 360 O ASP 24 -22.079 27.395 4.232 1.00 44.05 ATOM 361 N GLU 25 -22.798 28.505 6.052 1.00 30.45 ATOM 362 HN GLU 25 -23.459 29.127 6.434 1.00 37.38 ATOM 363 CA GLU 25 -21.718 28.024 6.906 1.00 33.35 ATOM 364 HA GLU 25 -20.783 28.386 6.498 1.00 45.24 ATOM 365 CB GLU 25 -21.890 28.554 8.331 1.00 15.04 ATOM 366 HB1 GLU 25 -21.430 27.855 9.021 1.00 37.38 ATOM 367 HB2 GLU 25 -22.939 28.622 8.559 1.00 15.01 ATOM 368 CG GLU 25 -21.265 29.921 8.552 1.00 54.34 ATOM 369 HG1 GLU 25 -21.894 30.669 8.100 1.00 37.38 ATOM 370 HG2 GLU 25 -20.289 29.945 8.085 1.00 13.10 ATOM 371 CD GLU 25 -21.093 30.254 10.021 1.00 40.21 ATOM 372 OE1 GLU 25 -21.062 31.456 10.358 1.00 51.01 ATOM 373 OE2 GLU 25 -20.989 29.312 10.834 1.00 72.42 ATOM 374 C GLU 25 -21.675 26.498 6.922 1.00 40.45 ATOM 375 O GLU 25 -20.601 25.898 6.966 1.00 32.25 ATOM 376 N ARG 26 -22.850 25.878 6.884 1.00 1.52 ATOM 377 HN ARG 26 -23.681 26.408 6.868 1.00 37.38 ATOM 378 CA ARG 26 -22.947 24.424 6.895 1.00 30.14 ATOM 379 HA ARG 26 -22.555 24.064 7.832 1.00 41.42 ATOM 380 CB ARG 26 -24.408 23.988 6.768 1.00 61.01 ATOM 381 HB1 ARG 26 -24.453 22.927 6.543 1.00 37.38 ATOM 382 HB2 ARG 26 -24.858 24.533 5.950 1.00 30.03 ATOM 383 CG ARG 26 -25.234 24.253 8.016 1.00 23.21 ATOM 384 HG1 ARG 26 -26.279 24.271 7.741 1.00 37.38 ATOM 385 HG2 ARG 26 -24.958 25.210 8.439 1.00 53.41 ATOM 386 CD ARG 26 -25.023 23.170 9.063 1.00 15.11 ATOM 387 HD1 ARG 26 -24.008 23.234 9.426 1.00 37.38 ATOM 388 HD2 ARG 26 -25.183 22.201 8.608 1.00 24.44 ATOM 389 NE ARG 26 -25.941 23.314 10.190 1.00 22.55 ATOM 390 HE ARG 26 -26.613 24.035 10.150 1.00 25.42 ATOM 391 CZ ARG 26 -25.919 22.527 11.261 1.00 63.25 ATOM 392 NH1 ARG 26 -25.030 21.546 11.349 1.00 53.55 ATOM 393 HH11 ARG 26 -24.366 21.380 10.621 1.00 2.11 ATOM 394 HH12 ARG 26 -25.020 20.957 12.160 1.00 50.20 ATOM 395 NH2 ARG 26 -26.786 22.720 12.246 1.00 52.22 ATOM 396 HH21 ARG 26 -27.460 23.459 12.186 1.00 12.41 ATOM 397 HH22 ARG 26 -26.771 22.127 13.054 1.00 21.34 ATOM 398 C ARG 26 -22.123 23.815 5.765 1.00 41.34 ATOM 399 O ARG 26 -21.517 22.755 5.925 1.00 14.44 ATOM 400 N ARG 27 -22.105 24.493 4.621 1.00 32.34 ATOM 401 HN ARG 27 -22.617 25.332 4.544 1.00 37.38 ATOM 402 CA ARG 27 -21.357 24.018 3.464 1.00 72.05 ATOM 403 HA ARG 27 -21.626 22.982 3.289 1.00 2.34 ATOM 404 CB ARG 27 -21.707 24.849 2.228 1.00 73.12 ATOM 405 HB1 ARG 27 -20.834 24.949 1.609 1.00 37.38 ATOM 406 HB2 ARG 27 -22.008 25.838 2.529 1.00 62.13 ATOM 407 CG ARG 27 -22.811 24.241 1.378 1.00 53.21 ATOM 408 HG1 ARG 27 -22.707 23.163 1.369 1.00 37.38 ATOM 409 HG2 ARG 27 -22.715 24.610 0.373 1.00 73.40 ATOM 410 CD ARG 27 -24.188 24.596 1.917 1.00 73.12 ATOM 411 HD1 ARG 27 -24.178 25.603 2.321 1.00 37.38 ATOM 412 HD2 ARG 27 -24.435 23.901 2.706 1.00 5.33 ATOM 413 NE ARG 27 -25.218 24.512 0.885 1.00 52.54 ATOM 414 HE ARG 27 -25.875 23.786 0.962 1.00 1.21 ATOM 415 CZ ARG 27 -25.306 25.358 -0.136 1.00 11.32 ATOM 416 NH1 ARG 27 -24.430 26.346 -0.260 1.00 70.32 ATOM 417 HH11 ARG 27 -23.700 26.490 0.399 1.00 22.12 ATOM 418 HH12 ARG 27 -24.502 26.970 -1.042 1.00 63.42 ATOM 419 NH2 ARG 27 -26.272 25.217 -1.035 1.00 3.11 ATOM 420 HH21 ARG 27 -26.937 24.473 -0.947 1.00 22.24 ATOM 421 HH22 ARG 27 -26.340 25.854 -1.806 1.00 52.13 ATOM 422 C ARG 27 -19.855 24.081 3.723 1.00 1.54 ATOM 423 O ARG 27 -19.092 23.260 3.216 1.00 30.11 ATOM 424 N ALA 28 -19.438 25.063 4.517 1.00 62.15 ATOM 425 HN ALA 28 -20.086 25.707 4.877 1.00 37.38 ATOM 426 CA ALA 28 -18.028 25.233 4.845 1.00 61.21 ATOM 427 HA ALA 28 -17.455 25.194 3.926 1.00 13.14 ATOM 428 CB ALA 28 -17.794 26.596 5.480 1.00 73.35 ATOM 429 HB1 ALA 28 -18.291 26.651 6.438 1.00 2.14 ATOM 430 HB2 ALA 28 -18.197 27.346 4.828 1.00 13.12 ATOM 431 HB3 ALA 28 -16.734 26.761 5.610 1.00 64.24 ATOM 432 C ALA 28 -17.543 24.125 5.773 1.00 31.45 ATOM 433 O ALA 28 -16.637 23.364 5.429 1.00 13.03 ATOM 434 N LEU 29 -18.150 24.039 6.952 1.00 73.22 ATOM 435 HN LEU 29 -18.846 24.698 7.173 1.00 37.38 ATOM 436 CA LEU 29 -17.780 23.023 7.931 1.00 1.23 ATOM 437 HA LEU 29 -16.737 23.162 8.182 1.00 41.40 ATOM 438 CB LEU 29 -18.618 23.182 9.201 1.00 25.24 ATOM 439 HB1 LEU 29 -18.211 24.028 9.740 1.00 37.38 ATOM 440 HB2 LEU 29 -18.466 22.303 9.822 1.00 14.33 ATOM 441 CG LEU 29 -20.116 23.407 8.994 1.00 63.53 ATOM 442 HG LEU 29 -20.349 23.451 7.943 1.00 35.44 ATOM 443 CD1 LEU 29 -20.914 22.250 9.575 1.00 55.31 ATOM 444 HD11 LEU 29 -21.968 22.410 9.395 1.00 32.10 ATOM 445 HD12 LEU 29 -20.738 22.182 10.640 1.00 13.31 ATOM 446 HD13 LEU 29 -20.609 21.326 9.102 1.00 64.42 ATOM 447 CD2 LEU 29 -20.549 24.724 9.619 1.00 11.32 ATOM 448 HD21 LEU 29 -19.951 25.532 9.223 1.00 13.04 ATOM 449 HD22 LEU 29 -20.411 24.678 10.691 1.00 21.25 ATOM 450 HD23 LEU 29 -21.588 24.911 9.404 1.00 71.20 ATOM 451 C LEU 29 -17.964 21.622 7.359 1.00 73.53 ATOM 452 O LEU 29 -17.307 20.674 7.788 1.00 60.35 ATOM 453 N ALA 30 -18.861 21.499 6.386 1.00 75.41 ATOM 454 HN ALA 30 -19.397 22.275 6.109 1.00 37.38 ATOM 455 CA ALA 30 -19.129 20.214 5.751 1.00 31.04 ATOM 456 HA ALA 30 -19.345 19.489 6.526 1.00 54.33 ATOM 457 CB ALA 30 -20.353 20.314 4.853 1.00 43.04 ATOM 458 HB1 ALA 30 -21.236 20.415 5.464 1.00 74.34 ATOM 459 HB2 ALA 30 -20.444 19.421 4.247 1.00 2.22 ATOM 460 HB3 ALA 30 -20.260 21.177 4.211 1.00 3.54 ATOM 461 C ALA 30 -17.922 19.734 4.953 1.00 22.22 ATOM 462 O ALA 30 -17.571 18.555 4.989 1.00 32.25 ATOM 463 N MET 31 -17.290 20.655 4.232 1.00 35.25 ATOM 464 HN MET 31 -17.610 21.588 4.239 1.00 37.38 ATOM 465 CA MET 31 -16.122 20.324 3.426 1.00 44.35 ATOM 466 HA MET 31 -16.146 19.270 3.185 1.00 24.34 ATOM 467 CB MET 31 -16.132 21.126 2.122 1.00 24.15 ATOM 468 HB1 MET 31 -15.248 20.883 1.545 1.00 37.38 ATOM 469 HB2 MET 31 -16.112 22.180 2.362 1.00 21.50 ATOM 470 CG MET 31 -17.356 20.867 1.259 1.00 2.23 ATOM 471 HG1 MET 31 -17.328 21.541 0.419 1.00 37.38 ATOM 472 HG2 MET 31 -18.248 21.048 1.839 1.00 75.50 ATOM 473 SD MET 31 -17.408 19.184 0.615 1.00 34.24 ATOM 474 CE MET 31 -16.131 19.261 -0.638 1.00 74.32 ATOM 475 HE1 MET 31 -16.214 18.406 -1.290 1.00 43.34 ATOM 476 HE2 MET 31 -15.163 19.258 -0.163 1.00 3.30 ATOM 477 HE3 MET 31 -16.250 20.165 -1.210 1.00 34.32 ATOM 478 C MET 31 -14.834 20.600 4.196 1.00 61.54 ATOM 479 O MET 31 -13.738 20.519 3.641 1.00 5.12 ATOM 480 N LYS 32 -14.974 20.925 5.476 1.00 23.12 ATOM 481 HN LYS 32 -15.849 20.988 5.882 1.00 37.38 ATOM 482 CA LYS 32 -13.822 21.211 6.323 1.00 11.35 ATOM 483 HA LYS 32 -14.189 21.609 7.259 1.00 64.02 ATOM 484 CB LYS 32 -13.032 19.929 6.596 1.00 40.32 ATOM 485 HB1 LYS 32 -12.089 20.192 7.059 1.00 37.38 ATOM 486 HB2 LYS 32 -12.825 19.443 5.653 1.00 13.11 ATOM 487 CG LYS 32 -13.766 18.939 7.484 1.00 50.43 ATOM 488 HG1 LYS 32 -13.845 18.002 6.949 1.00 37.38 ATOM 489 HG2 LYS 32 -14.765 19.299 7.702 1.00 4.01 ATOM 490 CD LYS 32 -13.011 18.685 8.778 1.00 72.34 ATOM 491 HD1 LYS 32 -11.947 18.819 8.631 1.00 37.38 ATOM 492 HD2 LYS 32 -13.197 17.665 9.081 1.00 41.43 ATOM 493 CE LYS 32 -13.480 19.612 9.888 1.00 32.03 ATOM 494 HE1 LYS 32 -14.544 19.792 9.791 1.00 37.38 ATOM 495 HE2 LYS 32 -12.951 20.549 9.803 1.00 42.12 ATOM 496 NZ LYS 32 -13.222 19.037 11.237 1.00 31.53 ATOM 497 HZ1 LYS 32 -13.725 18.132 11.347 1.00 71.24 ATOM 498 HZ2 LYS 32 -13.554 19.694 11.972 1.00 3.32 ATOM 499 HZ3 LYS 32 -12.202 18.874 11.372 1.00 30.31 ATOM 500 C LYS 32 -12.915 22.252 5.675 1.00 40.00 ATOM 501 O LYS 32 -11.786 21.950 5.288 1.00 23.33 ATOM 502 N ILE 33 -13.415 23.478 5.561 1.00 75.53 ATOM 503 HN ILE 33 -14.323 23.665 5.900 1.00 37.38 ATOM 504 CA ILE 33 -12.648 24.563 4.962 1.00 75.44 ATOM 505 HA ILE 33 -12.064 24.136 4.164 1.00 33.14 ATOM 506 CB ILE 33 -13.571 25.638 4.359 1.00 53.41 ATOM 507 HB ILE 33 -14.156 26.075 5.157 1.00 71.32 ATOM 508 CG1 ILE 33 -14.521 25.012 3.336 1.00 63.13 ATOM 509 HG11 ILE 33 -15.200 25.771 2.974 1.00 37.38 ATOM 510 HG12 ILE 33 -15.091 24.227 3.802 1.00 72.21 ATOM 511 CG2 ILE 33 -12.747 26.744 3.717 1.00 42.20 ATOM 512 HG21 ILE 33 -12.140 26.349 2.923 1.00 53.50 ATOM 513 HG22 ILE 33 -12.120 27.198 4.445 1.00 72.43 ATOM 514 HG23 ILE 33 -13.411 27.495 3.312 1.00 60.43 ATOM 515 CD1 ILE 33 -13.812 24.419 2.138 1.00 54.33 ATOM 516 HD11 ILE 33 -13.300 25.193 1.589 1.00 5.35 ATOM 517 HD12 ILE 33 -14.544 23.958 1.491 1.00 20.34 ATOM 518 HD13 ILE 33 -13.106 23.670 2.454 1.00 12.34 ATOM 519 C ILE 33 -11.727 25.215 5.986 1.00 1.43 ATOM 520 O ILE 33 -12.130 25.538 7.104 1.00 60.00 ATOM 521 N PRO 34 -10.459 25.417 5.598 1.00 50.21 ATOM 522 CA PRO 34 -9.454 26.036 6.467 1.00 22.22 ATOM 523 HA PRO 34 -9.388 25.530 7.420 1.00 31.32 ATOM 524 CB PRO 34 -8.148 25.843 5.692 1.00 1.50 ATOM 525 HB1 PRO 34 -7.668 24.935 6.024 1.00 37.38 ATOM 526 HB2 PRO 34 -7.479 26.681 5.847 1.00 52.51 ATOM 527 CG PRO 34 -8.566 25.734 4.266 1.00 33.45 ATOM 528 HG1 PRO 34 -7.853 25.134 3.721 1.00 37.38 ATOM 529 HG2 PRO 34 -8.637 26.704 3.835 1.00 31.43 ATOM 530 CD PRO 34 -9.909 25.058 4.280 1.00 73.40 ATOM 531 HD1 PRO 34 -9.790 23.988 4.193 1.00 37.38 ATOM 532 HD2 PRO 34 -10.506 25.431 3.478 1.00 73.21 ATOM 533 C PRO 34 -9.722 27.519 6.700 1.00 61.25 ATOM 534 O PRO 34 -9.562 28.022 7.812 1.00 41.03 ATOM 535 N PHE 35 -10.131 28.214 5.643 1.00 30.14 ATOM 536 HN PHE 35 -10.274 27.753 4.802 1.00 37.38 ATOM 537 CA PHE 35 -10.421 29.640 5.733 1.00 50.33 ATOM 538 HA PHE 35 -9.894 30.037 6.591 1.00 22.14 ATOM 539 CB PHE 35 -9.915 30.364 4.484 1.00 44.45 ATOM 540 HB1 PHE 35 -8.833 30.377 4.510 1.00 37.38 ATOM 541 HB2 PHE 35 -10.269 31.386 4.481 1.00 23.31 ATOM 542 CG PHE 35 -10.346 29.717 3.199 1.00 61.51 ATOM 543 CD1 PHE 35 -9.531 28.792 2.566 1.00 23.23 ATOM 544 HD1 PHE 35 -8.575 28.545 2.997 1.00 30.31 ATOM 545 CD2 PHE 35 -11.567 30.032 2.624 1.00 25.22 ATOM 546 HD2 PHE 35 -12.212 30.751 3.103 1.00 5.13 ATOM 547 CE1 PHE 35 -9.925 28.195 1.384 1.00 61.13 ATOM 548 HE1 PHE 35 -9.279 27.477 0.909 1.00 42.33 ATOM 549 CE2 PHE 35 -11.966 29.438 1.442 1.00 73.21 ATOM 550 HE2 PHE 35 -12.906 29.681 1.004 1.00 3.33 ATOM 551 CZ PHE 35 -11.145 28.517 0.821 1.00 4.35 ATOM 552 HZ PHE 35 -11.453 28.054 -0.102 1.00 24.55 ATOM 553 C PHE 35 -11.918 29.881 5.902 1.00 12.32 ATOM 554 O PHE 35 -12.752 29.057 5.525 1.00 1.43 ATOM 555 N PRO 36 -12.269 31.038 6.484 1.00 44.03 ATOM 556 CA PRO 36 -13.666 31.415 6.717 1.00 2.40 ATOM 557 HA PRO 36 -14.197 30.645 7.260 1.00 52.25 ATOM 558 CB PRO 36 -13.554 32.670 7.587 1.00 42.14 ATOM 559 HB1 PRO 36 -13.607 32.388 8.628 1.00 37.38 ATOM 560 HB2 PRO 36 -14.351 33.367 7.363 1.00 64.44 ATOM 561 CG PRO 36 -12.218 33.241 7.257 1.00 1.32 ATOM 562 HG1 PRO 36 -11.836 33.795 8.101 1.00 37.38 ATOM 563 HG2 PRO 36 -12.300 33.874 6.401 1.00 62.12 ATOM 564 CD PRO 36 -11.328 32.067 6.958 1.00 61.13 ATOM 565 HD1 PRO 36 -10.821 31.742 7.855 1.00 37.38 ATOM 566 HD2 PRO 36 -10.616 32.336 6.202 1.00 32.11 ATOM 567 C PRO 36 -14.406 31.730 5.421 1.00 25.42 ATOM 568 O PRO 36 -13.791 32.064 4.408 1.00 64.43 ATOM 569 N THR 37 -15.730 31.621 5.460 1.00 50.12 ATOM 570 HN THR 37 -16.166 31.384 6.312 1.00 37.38 ATOM 571 CA THR 37 -16.554 31.893 4.289 1.00 63.04 ATOM 572 HA THR 37 -16.116 31.394 3.448 1.00 51.51 ATOM 573 CB THR 37 -17.985 31.354 4.471 1.00 60.31 ATOM 574 HB THR 37 -18.502 31.418 3.523 1.00 65.40 ATOM 575 OG1 THR 37 -18.685 32.141 5.441 1.00 72.23 ATOM 576 HG1 THR 37 -19.631 32.079 5.286 1.00 61.12 ATOM 577 CG2 THR 37 -17.963 29.898 4.912 1.00 3.12 ATOM 578 HG21 THR 37 -18.973 29.515 4.923 1.00 34.05 ATOM 579 HG22 THR 37 -17.544 29.822 5.903 1.00 53.31 ATOM 580 HG23 THR 37 -17.368 29.315 4.222 1.00 61.12 ATOM 581 C THR 37 -16.619 33.388 3.998 1.00 73.14 ATOM 582 O THR 37 -16.569 33.808 2.841 1.00 31.43 ATOM 583 N ASP 38 -16.731 34.187 5.053 1.00 70.21 ATOM 584 HN ASP 38 -16.822 33.784 5.947 1.00 37.38 ATOM 585 CA ASP 38 -16.802 35.636 4.910 1.00 4.54 ATOM 586 HA ASP 38 -17.713 35.875 4.381 1.00 25.33 ATOM 587 CB ASP 38 -16.839 36.304 6.286 1.00 53.31 ATOM 588 HB1 ASP 38 -17.831 36.191 6.699 1.00 37.38 ATOM 589 HB2 ASP 38 -16.618 37.360 6.192 1.00 32.15 ATOM 590 CG ASP 38 -15.849 35.689 7.255 1.00 15.25 ATOM 591 OD1 ASP 38 -14.638 35.960 7.119 1.00 41.41 ATOM 592 OD2 ASP 38 -16.286 34.937 8.151 1.00 14.35 ATOM 593 C ASP 38 -15.615 36.162 4.108 1.00 11.14 ATOM 594 O ASP 38 -15.748 37.106 3.329 1.00 4.24 ATOM 595 N LYS 39 -14.455 35.545 4.305 1.00 2.20 ATOM 596 HN LYS 39 -14.401 34.802 4.950 1.00 37.38 ATOM 597 CA LYS 39 -13.244 35.949 3.601 1.00 42.52 ATOM 598 HA LYS 39 -13.113 37.011 3.732 1.00 61.42 ATOM 599 CB LYS 39 -12.024 35.237 4.190 1.00 35.21 ATOM 600 HB1 LYS 39 -12.212 34.173 4.205 1.00 37.38 ATOM 601 HB2 LYS 39 -11.889 35.586 5.204 1.00 61.02 ATOM 602 CG LYS 39 -10.741 35.488 3.418 1.00 70.14 ATOM 603 HG1 LYS 39 -10.651 36.545 3.204 1.00 37.38 ATOM 604 HG2 LYS 39 -10.784 34.936 2.491 1.00 54.21 ATOM 605 CD LYS 39 -9.522 35.017 4.193 1.00 11.44 ATOM 606 HD1 LYS 39 -8.764 34.710 3.487 1.00 37.38 ATOM 607 HD2 LYS 39 -9.784 34.174 4.821 1.00 12.23 ATOM 608 CE LYS 39 -8.956 36.126 5.067 1.00 23.14 ATOM 609 HE1 LYS 39 -8.379 35.673 5.860 1.00 37.38 ATOM 610 HE2 LYS 39 -9.765 36.699 5.502 1.00 55.52 ATOM 611 NZ LYS 39 -8.070 37.042 4.297 1.00 63.22 ATOM 612 HZ1 LYS 39 -8.600 37.491 3.521 1.00 72.10 ATOM 613 HZ2 LYS 39 -7.266 36.516 3.895 1.00 32.42 ATOM 614 HZ3 LYS 39 -7.701 37.786 4.923 1.00 1.31 ATOM 615 C LYS 39 -13.353 35.644 2.110 1.00 34.24 ATOM 616 O LYS 39 -12.706 36.289 1.286 1.00 44.51 ATOM 617 N ILE 40 -14.177 34.658 1.772 1.00 32.34 ATOM 618 HN ILE 40 -14.662 34.178 2.465 1.00 37.38 ATOM 619 CA ILE 40 -14.373 34.269 0.381 1.00 3.41 ATOM 620 HA ILE 40 -13.399 34.083 -0.059 1.00 75.51 ATOM 621 CB ILE 40 -15.206 32.979 0.269 1.00 62.05 ATOM 622 HB ILE 40 -16.194 33.170 0.655 1.00 44.21 ATOM 623 CG1 ILE 40 -14.558 31.855 1.081 1.00 54.53 ATOM 624 HG11 ILE 40 -14.442 32.166 2.103 1.00 37.38 ATOM 625 HG12 ILE 40 -13.587 31.634 0.669 1.00 2.31 ATOM 626 CG2 ILE 40 -15.353 32.569 -1.189 1.00 51.12 ATOM 627 HG21 ILE 40 -14.847 31.635 -1.370 1.00 15.12 ATOM 628 HG22 ILE 40 -14.953 33.311 -1.857 1.00 2.23 ATOM 629 HG23 ILE 40 -16.402 32.435 -1.404 1.00 21.41 ATOM 630 CD1 ILE 40 -15.364 30.575 1.090 1.00 44.03 ATOM 631 HD11 ILE 40 -15.386 30.149 0.105 1.00 74.44 ATOM 632 HD12 ILE 40 -16.376 30.787 1.405 1.00 65.00 ATOM 633 HD13 ILE 40 -14.917 29.872 1.777 1.00 13.44 ATOM 634 C ILE 40 -15.063 35.377 -0.407 1.00 52.30 ATOM 635 O ILE 40 -14.708 35.653 -1.553 1.00 3.10 ATOM 636 N VAL 41 -16.052 36.011 0.216 1.00 43.42 ATOM 637 HN VAL 41 -16.300 35.751 1.134 1.00 37.38 ATOM 638 CA VAL 41 -16.791 37.092 -0.426 1.00 2.12 ATOM 639 HA VAL 41 -16.783 36.929 -1.500 1.00 52.52 ATOM 640 CB VAL 41 -18.259 37.121 0.039 1.00 2.32 ATOM 641 HB VAL 41 -18.290 37.425 1.078 1.00 53.24 ATOM 642 CG1 VAL 41 -19.057 38.130 -0.773 1.00 65.23 ATOM 643 HG11 VAL 41 -18.953 37.916 -1.828 1.00 4.41 ATOM 644 HG12 VAL 41 -18.702 39.128 -0.571 1.00 40.54 ATOM 645 HG13 VAL 41 -20.103 38.070 -0.501 1.00 62.21 ATOM 646 CG2 VAL 41 -18.877 35.735 -0.061 1.00 61.14 ATOM 647 HG21 VAL 41 -18.823 35.390 -1.078 1.00 1.31 ATOM 648 HG22 VAL 41 -19.913 35.777 0.247 1.00 35.32 ATOM 649 HG23 VAL 41 -18.346 35.048 0.582 1.00 74.03 ATOM 650 C VAL 41 -16.150 38.444 -0.135 1.00 1.41 ATOM 651 O VAL 41 -16.291 39.389 -0.911 1.00 25.24 ATOM 652 N ASN 42 -15.445 38.530 0.989 1.00 61.45 ATOM 653 HN ASN 42 -15.372 37.748 1.582 1.00 37.38 ATOM 654 CA ASN 42 -14.782 39.767 1.383 1.00 45.24 ATOM 655 HA ASN 42 -15.494 40.580 1.285 1.00 61.13 ATOM 656 CB ASN 42 -14.312 39.678 2.836 1.00 1.00 ATOM 657 HB1 ASN 42 -13.439 40.304 2.977 1.00 37.38 ATOM 658 HB2 ASN 42 -14.049 38.668 3.072 1.00 11.52 ATOM 659 CG ASN 42 -15.370 40.147 3.815 1.00 13.35 ATOM 660 OD1 ASN 42 -15.081 40.898 4.747 1.00 43.30 ATOM 661 ND2 ASN 42 -16.605 39.705 3.609 1.00 72.13 ATOM 662 HD21 ASN 42 -16.797 39.103 2.865 1.00 33.15 ATOM 663 HD22 ASN 42 -17.298 40.010 4.232 1.00 12.14 ATOM 664 C ASN 42 -13.595 40.063 0.470 1.00 20.33 ATOM 665 O ASN 42 -13.460 41.170 -0.052 1.00 52.03 ATOM 666 N LEU 43 -12.737 39.066 0.283 1.00 75.35 ATOM 667 HN LEU 43 -12.896 38.201 0.732 1.00 37.38 ATOM 668 CA LEU 43 -11.562 39.218 -0.568 1.00 23.44 ATOM 669 HA LEU 43 -10.987 40.033 -0.163 1.00 21.21 ATOM 670 CB LEU 43 -10.730 37.934 -0.556 1.00 32.32 ATOM 671 HB1 LEU 43 -10.153 37.873 -1.471 1.00 37.38 ATOM 672 HB2 LEU 43 -11.415 37.098 -0.552 1.00 23.14 ATOM 673 CG LEU 43 -9.765 37.770 0.619 1.00 71.11 ATOM 674 HG LEU 43 -10.315 37.873 1.542 1.00 44.22 ATOM 675 CD1 LEU 43 -9.129 36.389 0.599 1.00 72.44 ATOM 676 HD11 LEU 43 -8.478 36.276 1.455 1.00 32.23 ATOM 677 HD12 LEU 43 -8.554 36.264 -0.309 1.00 13.33 ATOM 678 HD13 LEU 43 -9.902 35.638 0.639 1.00 33.35 ATOM 679 CD2 LEU 43 -8.696 38.852 0.585 1.00 24.13 ATOM 680 HD21 LEU 43 -8.052 38.744 1.446 1.00 51.34 ATOM 681 HD22 LEU 43 -9.150 39.829 0.611 1.00 24.42 ATOM 682 HD23 LEU 43 -8.103 38.752 -0.312 1.00 5.11 ATOM 683 C LEU 43 -11.965 39.563 -1.998 1.00 23.24 ATOM 684 O LEU 43 -13.093 39.321 -2.426 1.00 71.54 ATOM 685 N PRO 44 -11.021 40.141 -2.756 1.00 21.45 ATOM 686 CA PRO 44 -11.253 40.529 -4.150 1.00 32.11 ATOM 687 HA PRO 44 -12.127 41.158 -4.247 1.00 72.23 ATOM 688 CB PRO 44 -10.001 41.332 -4.508 1.00 5.52 ATOM 689 HB1 PRO 44 -10.190 42.381 -4.336 1.00 37.38 ATOM 690 HB2 PRO 44 -9.729 41.181 -5.546 1.00 64.13 ATOM 691 CG PRO 44 -8.947 40.822 -3.586 1.00 50.23 ATOM 692 HG1 PRO 44 -8.203 41.584 -3.407 1.00 37.38 ATOM 693 HG2 PRO 44 -8.510 39.965 -4.027 1.00 10.14 ATOM 694 CD PRO 44 -9.654 40.459 -2.310 1.00 20.12 ATOM 695 HD1 PRO 44 -9.655 41.295 -1.627 1.00 37.38 ATOM 696 HD2 PRO 44 -9.180 39.621 -1.872 1.00 3.33 ATOM 697 C PRO 44 -11.394 39.323 -5.072 1.00 23.51 ATOM 698 O PRO 44 -11.208 38.181 -4.650 1.00 11.01 ATOM 699 N VAL 45 -11.722 39.583 -6.333 1.00 74.44 ATOM 700 HN VAL 45 -11.862 40.519 -6.609 1.00 37.38 ATOM 701 CA VAL 45 -11.886 38.518 -7.316 1.00 31.22 ATOM 702 HA VAL 45 -12.538 37.763 -6.889 1.00 25.41 ATOM 703 CB VAL 45 -12.536 39.043 -8.610 1.00 11.04 ATOM 704 HB VAL 45 -13.438 39.576 -8.346 1.00 63.20 ATOM 705 CG1 VAL 45 -11.603 40.011 -9.321 1.00 72.13 ATOM 706 HG11 VAL 45 -12.139 40.485 -10.130 1.00 0.54 ATOM 707 HG12 VAL 45 -10.750 39.485 -9.727 1.00 61.24 ATOM 708 HG13 VAL 45 -11.261 40.771 -8.634 1.00 23.23 ATOM 709 CG2 VAL 45 -12.915 37.887 -9.522 1.00 73.43 ATOM 710 HG21 VAL 45 -13.675 38.215 -10.216 1.00 43.35 ATOM 711 HG22 VAL 45 -13.293 37.058 -8.942 1.00 54.31 ATOM 712 HG23 VAL 45 -12.048 37.555 -10.078 1.00 54.21 ATOM 713 C VAL 45 -10.547 37.875 -7.658 1.00 22.23 ATOM 714 O VAL 45 -10.489 36.711 -8.056 1.00 41.44 ATOM 715 N ASP 46 -9.472 38.639 -7.499 1.00 12.34 ATOM 716 HN ASP 46 -9.573 39.565 -7.181 1.00 37.38 ATOM 717 CA ASP 46 -8.132 38.144 -7.789 1.00 24.11 ATOM 718 HA ASP 46 -8.182 37.539 -8.689 1.00 40.22 ATOM 719 CB ASP 46 -7.170 39.312 -8.012 1.00 53.33 ATOM 720 HB1 ASP 46 -6.223 39.112 -7.525 1.00 37.38 ATOM 721 HB2 ASP 46 -7.587 40.218 -7.594 1.00 74.54 ATOM 722 CG ASP 46 -6.886 39.555 -9.482 1.00 1.35 ATOM 723 OD1 ASP 46 -7.024 40.713 -9.929 1.00 23.15 ATOM 724 OD2 ASP 46 -6.526 38.587 -10.185 1.00 14.54 ATOM 725 C ASP 46 -7.622 37.259 -6.655 1.00 41.34 ATOM 726 O ASP 46 -7.362 36.072 -6.850 1.00 63.14 ATOM 727 N ASP 47 -7.481 37.846 -5.472 1.00 21.11 ATOM 728 HN ASP 47 -7.705 38.797 -5.386 1.00 37.38 ATOM 729 CA ASP 47 -7.002 37.111 -4.307 1.00 11.34 ATOM 730 HA ASP 47 -5.979 36.818 -4.495 1.00 71.33 ATOM 731 CB ASP 47 -7.043 38.001 -3.064 1.00 15.44 ATOM 732 HB1 ASP 47 -6.665 37.445 -2.216 1.00 37.38 ATOM 733 HB2 ASP 47 -8.058 38.287 -2.870 1.00 1.15 ATOM 734 CG ASP 47 -6.201 39.252 -3.219 1.00 11.30 ATOM 735 OD1 ASP 47 -6.211 40.093 -2.295 1.00 40.25 ATOM 736 OD2 ASP 47 -5.531 39.390 -4.264 1.00 33.03 ATOM 737 C ASP 47 -7.836 35.855 -4.076 1.00 13.02 ATOM 738 O ASP 47 -7.339 34.852 -3.564 1.00 4.14 ATOM 739 N PHE 48 -9.108 35.917 -4.456 1.00 51.31 ATOM 740 HN PHE 48 -9.472 36.756 -4.820 1.00 37.38 ATOM 741 CA PHE 48 -10.012 34.786 -4.289 1.00 34.43 ATOM 742 HA PHE 48 -9.964 34.462 -3.257 1.00 54.13 ATOM 743 CB PHE 48 -11.450 35.204 -4.604 1.00 32.53 ATOM 744 HB1 PHE 48 -11.462 35.725 -5.553 1.00 37.38 ATOM 745 HB2 PHE 48 -11.795 35.874 -3.829 1.00 30.23 ATOM 746 CG PHE 48 -12.409 34.049 -4.672 1.00 3.20 ATOM 747 CD1 PHE 48 -13.200 33.854 -5.792 1.00 52.24 ATOM 748 HD1 PHE 48 -13.126 34.540 -6.625 1.00 25.40 ATOM 749 CD2 PHE 48 -12.518 33.159 -3.616 1.00 62.31 ATOM 750 HD2 PHE 48 -11.907 33.298 -2.734 1.00 0.30 ATOM 751 CE1 PHE 48 -14.084 32.793 -5.857 1.00 44.23 ATOM 752 HE1 PHE 48 -14.696 32.652 -6.736 1.00 64.23 ATOM 753 CE2 PHE 48 -13.399 32.096 -3.676 1.00 31.55 ATOM 754 HE2 PHE 48 -13.465 31.427 -2.853 1.00 25.35 ATOM 755 CZ PHE 48 -14.182 31.912 -4.798 1.00 53.12 ATOM 756 HZ PHE 48 -14.869 31.086 -4.843 1.00 61.34 ATOM 757 C PHE 48 -9.600 33.623 -5.187 1.00 35.11 ATOM 758 O PHE 48 -9.501 32.482 -4.737 1.00 3.32 ATOM 759 N ASN 49 -9.363 33.922 -6.460 1.00 71.40 ATOM 760 HN ASN 49 -9.466 34.855 -6.765 1.00 37.38 ATOM 761 CA ASN 49 -8.963 32.902 -7.423 1.00 31.33 ATOM 762 HA ASN 49 -9.768 32.182 -7.502 1.00 30.41 ATOM 763 CB ASN 49 -8.712 33.535 -8.793 1.00 34.50 ATOM 764 HB1 ASN 49 -8.106 32.873 -9.401 1.00 37.38 ATOM 765 HB2 ASN 49 -8.188 34.467 -8.656 1.00 60.44 ATOM 766 CG ASN 49 -9.999 33.814 -9.545 1.00 73.31 ATOM 767 OD1 ASN 49 -10.908 32.983 -9.573 1.00 45.04 ATOM 768 ND2 ASN 49 -10.082 34.988 -10.159 1.00 55.05 ATOM 769 HD21 ASN 49 -9.325 35.615 -10.104 1.00 43.12 ATOM 770 HD22 ASN 49 -10.906 35.187 -10.650 1.00 23.24 ATOM 771 C ASN 49 -7.710 32.170 -6.951 1.00 52.11 ATOM 772 O ASN 49 -7.645 30.942 -6.992 1.00 44.05 ATOM 773 N GLU 50 -6.719 32.934 -6.503 1.00 21.14 ATOM 774 HN GLU 50 -6.851 33.907 -6.448 1.00 37.38 ATOM 775 CA GLU 50 -5.468 32.358 -6.023 1.00 71.44 ATOM 776 HA GLU 50 -5.138 31.613 -6.739 1.00 52.32 ATOM 777 CB GLU 50 -4.393 33.440 -5.908 1.00 11.32 ATOM 778 HB1 GLU 50 -3.516 33.017 -5.432 1.00 37.38 ATOM 779 HB2 GLU 50 -4.768 34.243 -5.288 1.00 71.23 ATOM 780 CG GLU 50 -3.959 34.012 -7.247 1.00 10.42 ATOM 781 HG1 GLU 50 -3.824 33.205 -7.955 1.00 37.38 ATOM 782 HG2 GLU 50 -3.019 34.526 -7.112 1.00 32.31 ATOM 783 CD GLU 50 -4.964 34.995 -7.815 1.00 12.53 ATOM 784 OE1 GLU 50 -4.850 36.202 -7.512 1.00 23.35 ATOM 785 OE2 GLU 50 -5.865 34.559 -8.561 1.00 41.34 ATOM 786 C GLU 50 -5.666 31.675 -4.673 1.00 3.43 ATOM 787 O GLU 50 -5.021 30.670 -4.372 1.00 71.31 ATOM 788 N LEU 51 -6.560 32.230 -3.862 1.00 74.52 ATOM 789 HN LEU 51 -7.032 33.049 -4.142 1.00 37.38 ATOM 790 CA LEU 51 -6.844 31.676 -2.543 1.00 23.15 ATOM 791 HA LEU 51 -5.946 31.749 -1.952 1.00 1.10 ATOM 792 CB LEU 51 -7.948 32.481 -1.856 1.00 53.43 ATOM 793 HB1 LEU 51 -8.793 32.511 -2.522 1.00 37.38 ATOM 794 HB2 LEU 51 -7.592 33.490 -1.719 1.00 1.32 ATOM 795 CG LEU 51 -8.420 31.954 -0.501 1.00 12.02 ATOM 796 HG LEU 51 -8.555 30.887 -0.541 1.00 42.25 ATOM 797 CD1 LEU 51 -7.387 32.248 0.576 1.00 50.44 ATOM 798 HD11 LEU 51 -7.725 31.848 1.522 1.00 30.21 ATOM 799 HD12 LEU 51 -7.248 33.317 0.668 1.00 61.03 ATOM 800 HD13 LEU 51 -6.446 31.786 0.311 1.00 43.33 ATOM 801 CD2 LEU 51 -9.766 32.561 -0.131 1.00 42.24 ATOM 802 HD21 LEU 51 -10.497 32.306 -0.885 1.00 2.45 ATOM 803 HD22 LEU 51 -9.676 33.634 -0.069 1.00 63.14 ATOM 804 HD23 LEU 51 -10.090 32.172 0.825 1.00 11.31 ATOM 805 C LEU 51 -7.255 30.211 -2.644 1.00 31.44 ATOM 806 O LEU 51 -7.086 29.440 -1.697 1.00 51.43 ATOM 807 N LEU 52 -7.794 29.831 -3.797 1.00 42.01 ATOM 808 HN LEU 52 -7.962 30.492 -4.505 1.00 37.38 ATOM 809 CA LEU 52 -8.227 28.457 -4.023 1.00 74.35 ATOM 810 HA LEU 52 -8.829 28.163 -3.184 1.00 52.53 ATOM 811 CB LEU 52 -9.075 28.371 -5.294 1.00 15.43 ATOM 812 HB1 LEU 52 -9.252 27.333 -5.515 1.00 37.38 ATOM 813 HB2 LEU 52 -8.491 28.792 -6.102 1.00 23.32 ATOM 814 CG LEU 52 -10.426 29.087 -5.248 1.00 71.13 ATOM 815 HG LEU 52 -10.287 30.084 -4.855 1.00 71.01 ATOM 816 CD1 LEU 52 -11.010 29.214 -6.647 1.00 0.22 ATOM 817 HD11 LEU 52 -11.171 28.230 -7.067 1.00 22.22 ATOM 818 HD12 LEU 52 -10.325 29.765 -7.277 1.00 24.31 ATOM 819 HD13 LEU 52 -11.952 29.742 -6.600 1.00 50.02 ATOM 820 CD2 LEU 52 -11.390 28.349 -4.331 1.00 71.20 ATOM 821 HD21 LEU 52 -11.498 27.325 -4.661 1.00 41.43 ATOM 822 HD22 LEU 52 -12.352 28.835 -4.362 1.00 25.41 ATOM 823 HD23 LEU 52 -11.011 28.364 -3.321 1.00 5.24 ATOM 824 C LEU 52 -7.030 27.519 -4.134 1.00 65.12 ATOM 825 O LEU 52 -7.054 26.401 -3.621 1.00 35.12 ATOM 826 N ALA 53 -5.981 27.983 -4.806 1.00 51.41 ATOM 827 HN ALA 53 -6.013 28.887 -5.200 1.00 37.38 ATOM 828 CA ALA 53 -4.772 27.188 -4.980 1.00 51.13 ATOM 829 HA ALA 53 -5.049 26.142 -5.054 1.00 62.31 ATOM 830 CB ALA 53 -4.071 27.570 -6.275 1.00 40.44 ATOM 831 HB1 ALA 53 -3.755 28.603 -6.227 1.00 74.43 ATOM 832 HB2 ALA 53 -4.754 27.444 -7.102 1.00 22.22 ATOM 833 HB3 ALA 53 -3.209 26.935 -6.424 1.00 25.32 ATOM 834 C ALA 53 -3.828 27.358 -3.795 1.00 63.02 ATOM 835 O ALA 53 -3.001 26.489 -3.519 1.00 24.00 ATOM 836 N ARG 54 -3.956 28.483 -3.099 1.00 31.43 ATOM 837 HN ARG 54 -4.624 29.154 -3.369 1.00 37.38 ATOM 838 CA ARG 54 -3.112 28.767 -1.944 1.00 73.32 ATOM 839 HA ARG 54 -2.076 28.683 -2.253 1.00 74.51 ATOM 840 CB ARG 54 -3.372 30.185 -1.432 1.00 74.33 ATOM 841 HB1 ARG 54 -3.091 30.244 -0.385 1.00 37.38 ATOM 842 HB2 ARG 54 -4.424 30.400 -1.519 1.00 73.33 ATOM 843 CG ARG 54 -2.597 31.255 -2.183 1.00 10.01 ATOM 844 HG1 ARG 54 -2.931 31.276 -3.209 1.00 37.38 ATOM 845 HG2 ARG 54 -1.544 31.015 -2.150 1.00 62.12 ATOM 846 CD ARG 54 -2.805 32.629 -1.566 1.00 52.42 ATOM 847 HD1 ARG 54 -2.698 32.536 -0.492 1.00 37.38 ATOM 848 HD2 ARG 54 -3.803 32.969 -1.801 1.00 0.12 ATOM 849 NE ARG 54 -1.840 33.605 -2.065 1.00 40.13 ATOM 850 HE ARG 54 -1.391 33.412 -2.921 1.00 11.43 ATOM 851 CZ ARG 54 -1.543 34.735 -1.433 1.00 31.12 ATOM 852 NH1 ARG 54 -2.133 35.029 -0.283 1.00 12.44 ATOM 853 HH11 ARG 54 -2.807 34.424 0.131 1.00 20.44 ATOM 854 HH12 ARG 54 -1.898 35.883 0.187 1.00 0.23 ATOM 855 NH2 ARG 54 -0.654 35.573 -1.951 1.00 22.45 ATOM 856 HH21 ARG 54 -0.204 35.356 -2.820 1.00 63.23 ATOM 857 HH22 ARG 54 -0.429 36.426 -1.476 1.00 12.40 ATOM 858 C ARG 54 -3.361 27.757 -0.827 1.00 53.52 ATOM 859 O ARG 54 -2.440 27.376 -0.105 1.00 32.22 ATOM 860 N TYR 55 -4.612 27.330 -0.691 1.00 64.03 ATOM 861 HN TYR 55 -5.317 27.666 -1.291 1.00 37.38 ATOM 862 CA TYR 55 -4.983 26.368 0.339 1.00 25.43 ATOM 863 HA TYR 55 -4.173 26.310 1.057 1.00 1.31 ATOM 864 CB TYR 55 -6.247 26.828 1.065 1.00 15.44 ATOM 865 HB1 TYR 55 -6.703 25.994 1.585 1.00 37.38 ATOM 866 HB2 TYR 55 -6.953 27.198 0.332 1.00 40.21 ATOM 867 CG TYR 55 -6.002 27.934 2.067 1.00 1.11 ATOM 868 CD1 TYR 55 -6.007 27.676 3.432 1.00 32.21 ATOM 869 HD1 TYR 55 -6.176 26.670 3.777 1.00 3.53 ATOM 870 CD2 TYR 55 -5.764 29.237 1.648 1.00 44.31 ATOM 871 HD2 TYR 55 -5.755 29.459 0.590 1.00 40.13 ATOM 872 CE1 TYR 55 -5.784 28.683 4.351 1.00 51.24 ATOM 873 HE1 TYR 55 -5.792 28.461 5.408 1.00 62.42 ATOM 874 CE2 TYR 55 -5.538 30.251 2.559 1.00 20.23 ATOM 875 HE2 TYR 55 -5.355 31.257 2.213 1.00 23.23 ATOM 876 CZ TYR 55 -5.550 29.969 3.909 1.00 22.14 ATOM 877 OH TYR 55 -5.326 30.975 4.821 1.00 23.11 ATOM 878 HH TYR 55 -6.096 31.550 4.869 1.00 42.53 ATOM 879 C TYR 55 -5.204 24.983 -0.262 1.00 43.23 ATOM 880 O TYR 55 -5.475 24.832 -1.454 1.00 31.23 ATOM 881 N PRO 56 -5.086 23.947 0.581 1.00 21.02 ATOM 882 CA PRO 56 -5.270 22.556 0.157 1.00 61.01 ATOM 883 HA PRO 56 -4.643 22.313 -0.689 1.00 31.25 ATOM 884 CB PRO 56 -4.819 21.750 1.378 1.00 51.12 ATOM 885 HB1 PRO 56 -3.774 21.501 1.269 1.00 37.38 ATOM 886 HB2 PRO 56 -5.392 20.837 1.483 1.00 44.41 ATOM 887 CG PRO 56 -5.025 22.667 2.534 1.00 70.21 ATOM 888 HG1 PRO 56 -4.328 22.426 3.323 1.00 37.38 ATOM 889 HG2 PRO 56 -6.041 22.585 2.891 1.00 31.13 ATOM 890 CD PRO 56 -4.764 24.054 2.014 1.00 34.43 ATOM 891 HD1 PRO 56 -3.727 24.320 2.157 1.00 37.38 ATOM 892 HD2 PRO 56 -5.402 24.754 2.517 1.00 53.34 ATOM 893 C PRO 56 -6.723 22.241 -0.182 1.00 62.24 ATOM 894 O PRO 56 -7.446 21.655 0.624 1.00 34.10 ATOM 895 N LEU 57 -7.144 22.632 -1.380 1.00 0.31 ATOM 896 HN LEU 57 -6.523 23.092 -1.991 1.00 37.38 ATOM 897 CA LEU 57 -8.512 22.391 -1.827 1.00 24.24 ATOM 898 HA LEU 57 -9.072 21.947 -1.021 1.00 63.21 ATOM 899 CB LEU 57 -9.188 23.711 -2.199 1.00 11.33 ATOM 900 HB1 LEU 57 -10.225 23.514 -2.436 1.00 37.38 ATOM 901 HB2 LEU 57 -8.696 24.095 -3.081 1.00 12.44 ATOM 902 CG LEU 57 -9.135 24.814 -1.141 1.00 43.31 ATOM 903 HG LEU 57 -8.104 24.999 -0.875 1.00 11.15 ATOM 904 CD1 LEU 57 -9.716 26.108 -1.689 1.00 40.24 ATOM 905 HD11 LEU 57 -9.490 26.920 -1.025 1.00 74.00 ATOM 906 HD12 LEU 57 -10.784 26.013 -1.793 1.00 62.52 ATOM 907 HD13 LEU 57 -9.289 26.309 -2.656 1.00 71.33 ATOM 908 CD2 LEU 57 -9.877 24.384 0.116 1.00 52.42 ATOM 909 HD21 LEU 57 -9.831 25.174 0.853 1.00 11.14 ATOM 910 HD22 LEU 57 -9.419 23.494 0.523 1.00 53.23 ATOM 911 HD23 LEU 57 -10.912 24.178 -0.123 1.00 44.43 ATOM 912 C LEU 57 -8.535 21.440 -3.019 1.00 51.33 ATOM 913 O LEU 57 -7.733 21.568 -3.945 1.00 23.50 ATOM 914 N THR 58 -9.462 20.488 -2.992 1.00 71.34 ATOM 915 HN THR 58 -10.063 20.415 -2.218 1.00 37.38 ATOM 916 CA THR 58 -9.591 19.516 -4.071 1.00 54.32 ATOM 917 HA THR 58 -8.668 19.491 -4.643 1.00 43.34 ATOM 918 CB THR 58 -9.849 18.100 -3.524 1.00 33.22 ATOM 919 HB THR 58 -10.106 17.437 -4.341 1.00 64.43 ATOM 920 OG1 THR 58 -10.933 18.126 -2.588 1.00 72.03 ATOM 921 HG1 THR 58 -11.763 17.983 -3.047 1.00 1.01 ATOM 922 CG2 THR 58 -8.604 17.545 -2.849 1.00 43.30 ATOM 923 HG21 THR 58 -8.811 16.553 -2.475 1.00 13.33 ATOM 924 HG22 THR 58 -8.321 18.186 -2.026 1.00 75.32 ATOM 925 HG23 THR 58 -7.795 17.497 -3.564 1.00 74.04 ATOM 926 C THR 58 -10.722 19.896 -5.020 1.00 74.11 ATOM 927 O THR 58 -11.461 20.847 -4.770 1.00 13.34 ATOM 928 N GLU 59 -10.852 19.145 -6.110 1.00 4.23 ATOM 929 HN GLU 59 -10.227 18.396 -6.256 1.00 37.38 ATOM 930 CA GLU 59 -11.894 19.405 -7.096 1.00 21.41 ATOM 931 HA GLU 59 -11.689 20.366 -7.551 1.00 21.55 ATOM 932 CB GLU 59 -11.889 18.319 -8.174 1.00 22.53 ATOM 933 HB1 GLU 59 -12.878 18.240 -8.612 1.00 37.38 ATOM 934 HB2 GLU 59 -11.639 17.368 -7.722 1.00 20.45 ATOM 935 CG GLU 59 -10.912 18.589 -9.306 1.00 23.25 ATOM 936 HG1 GLU 59 -11.081 19.586 -9.688 1.00 37.38 ATOM 937 HG2 GLU 59 -11.089 17.871 -10.093 1.00 24.02 ATOM 938 CD GLU 59 -9.465 18.474 -8.867 1.00 3.21 ATOM 939 OE1 GLU 59 -8.632 19.267 -9.354 1.00 62.41 ATOM 940 OE2 GLU 59 -9.166 17.591 -8.036 1.00 4.45 ATOM 941 C GLU 59 -13.266 19.472 -6.432 1.00 74.53 ATOM 942 O GLU 59 -14.166 20.163 -6.910 1.00 4.31 ATOM 943 N SER 60 -13.419 18.747 -5.329 1.00 35.14 ATOM 944 HN SER 60 -12.688 18.172 -5.012 1.00 37.38 ATOM 945 CA SER 60 -14.683 18.720 -4.601 1.00 60.21 ATOM 946 HA SER 60 -15.494 18.710 -5.319 1.00 41.43 ATOM 947 CB SER 60 -14.776 17.456 -3.745 1.00 24.54 ATOM 948 HB1 SER 60 -14.211 17.582 -2.830 1.00 37.38 ATOM 949 HB2 SER 60 -14.370 16.620 -4.298 1.00 13.41 ATOM 950 OG SER 60 -16.122 17.160 -3.415 1.00 42.12 ATOM 951 HG SER 60 -16.550 16.726 -4.158 1.00 73.40 ATOM 952 C SER 60 -14.829 19.957 -3.720 1.00 30.42 ATOM 953 O SER 60 -15.920 20.510 -3.586 1.00 1.13 ATOM 954 N GLN 61 -13.721 20.383 -3.122 1.00 15.43 ATOM 955 HN GLN 61 -12.874 19.897 -3.259 1.00 37.38 ATOM 956 CA GLN 61 -13.726 21.554 -2.253 1.00 1.15 ATOM 957 HA GLN 61 -14.568 21.477 -1.578 1.00 24.22 ATOM 958 CB GLN 61 -12.440 21.606 -1.425 1.00 74.01 ATOM 959 HB1 GLN 61 -12.458 22.504 -0.818 1.00 37.38 ATOM 960 HB2 GLN 61 -11.600 21.657 -2.094 1.00 63.53 ATOM 961 CG GLN 61 -12.260 20.409 -0.505 1.00 53.22 ATOM 962 HG1 GLN 61 -11.904 19.580 -1.084 1.00 37.38 ATOM 963 HG2 GLN 61 -13.213 20.152 -0.065 1.00 2.43 ATOM 964 CD GLN 61 -11.272 20.676 0.613 1.00 42.11 ATOM 965 OE1 GLN 61 -10.067 20.479 0.452 1.00 31.32 ATOM 966 NE2 GLN 61 -11.777 21.128 1.755 1.00 71.32 ATOM 967 HE21 GLN 61 -12.748 21.268 1.827 1.00 51.21 ATOM 968 HE22 GLN 61 -11.154 21.307 2.490 1.00 32.23 ATOM 969 C GLN 61 -13.873 22.836 -3.066 1.00 61.42 ATOM 970 O GLN 61 -14.764 23.647 -2.811 1.00 30.11 ATOM 971 N LEU 62 -12.994 23.012 -4.046 1.00 43.31 ATOM 972 HN LEU 62 -12.309 22.324 -4.203 1.00 37.38 ATOM 973 CA LEU 62 -13.025 24.196 -4.898 1.00 52.20 ATOM 974 HA LEU 62 -12.780 25.053 -4.286 1.00 23.31 ATOM 975 CB LEU 62 -11.994 24.068 -6.021 1.00 13.31 ATOM 976 HB1 LEU 62 -12.298 24.728 -6.826 1.00 37.38 ATOM 977 HB2 LEU 62 -12.033 23.054 -6.401 1.00 72.24 ATOM 978 CG LEU 62 -10.551 24.410 -5.649 1.00 50.31 ATOM 979 HG LEU 62 -10.541 25.059 -4.782 1.00 3.22 ATOM 980 CD1 LEU 62 -9.778 23.150 -5.293 1.00 35.30 ATOM 981 HD11 LEU 62 -9.804 22.457 -6.123 1.00 0.12 ATOM 982 HD12 LEU 62 -10.229 22.701 -4.438 1.00 24.32 ATOM 983 HD13 LEU 62 -8.753 23.405 -5.073 1.00 2.53 ATOM 984 CD2 LEU 62 -9.868 25.152 -6.789 1.00 13.32 ATOM 985 HD21 LEU 62 -10.408 26.064 -7.002 1.00 24.11 ATOM 986 HD22 LEU 62 -9.853 24.529 -7.673 1.00 20.11 ATOM 987 HD23 LEU 62 -8.853 25.398 -6.506 1.00 51.21 ATOM 988 C LEU 62 -14.415 24.404 -5.490 1.00 15.30 ATOM 989 O LEU 62 -14.886 25.535 -5.612 1.00 32.35 ATOM 990 N ALA 63 -15.068 23.306 -5.855 1.00 32.44 ATOM 991 HN ALA 63 -14.635 22.426 -5.753 1.00 37.38 ATOM 992 CA ALA 63 -16.406 23.367 -6.430 1.00 12.34 ATOM 993 HA ALA 63 -16.351 23.922 -7.352 1.00 21.01 ATOM 994 CB ALA 63 -16.907 21.967 -6.753 1.00 1.34 ATOM 995 HB1 ALA 63 -17.879 22.027 -7.223 1.00 41.44 ATOM 996 HB2 ALA 63 -16.981 21.388 -5.843 1.00 24.40 ATOM 997 HB3 ALA 63 -16.214 21.486 -7.427 1.00 10.32 ATOM 998 C ALA 63 -17.376 24.074 -5.489 1.00 0.13 ATOM 999 O ALA 63 -18.332 24.713 -5.931 1.00 3.11 ATOM 1000 N LEU 64 -17.125 23.955 -4.190 1.00 11.14 ATOM 1001 HN LEU 64 -16.369 23.411 -3.885 1.00 37.38 ATOM 1002 CA LEU 64 -17.977 24.583 -3.185 1.00 60.52 ATOM 1003 HA LEU 64 -18.999 24.585 -3.547 1.00 52.22 ATOM 1004 CB LEU 64 -17.929 23.788 -1.879 1.00 4.32 ATOM 1005 HB1 LEU 64 -16.888 23.696 -1.605 1.00 37.38 ATOM 1006 HB2 LEU 64 -18.299 22.791 -2.085 1.00 31.44 ATOM 1007 CG LEU 64 -18.699 24.386 -0.701 1.00 71.00 ATOM 1008 HG LEU 64 -18.858 25.444 -0.848 1.00 74.20 ATOM 1009 CD1 LEU 64 -20.070 23.740 -0.577 1.00 53.13 ATOM 1010 HD11 LEU 64 -20.118 23.090 0.287 1.00 43.32 ATOM 1011 HD12 LEU 64 -20.304 23.162 -1.463 1.00 53.10 ATOM 1012 HD13 LEU 64 -20.805 24.518 -0.474 1.00 41.21 ATOM 1013 CD2 LEU 64 -17.911 24.221 0.590 1.00 13.05 ATOM 1014 HD21 LEU 64 -18.075 23.255 1.004 1.00 0.35 ATOM 1015 HD22 LEU 64 -18.246 24.963 1.299 1.00 34.14 ATOM 1016 HD23 LEU 64 -16.852 24.365 0.412 1.00 74.40 ATOM 1017 C LEU 64 -17.550 26.025 -2.933 1.00 23.11 ATOM 1018 O LEU 64 -18.379 26.935 -2.913 1.00 63.33 ATOM 1019 N VAL 65 -16.250 26.227 -2.742 1.00 63.13 ATOM 1020 HN VAL 65 -15.640 25.458 -2.793 1.00 37.38 ATOM 1021 CA VAL 65 -15.711 27.559 -2.495 1.00 32.02 ATOM 1022 HA VAL 65 -16.098 27.903 -1.553 1.00 2.14 ATOM 1023 CB VAL 65 -14.174 27.536 -2.409 1.00 24.34 ATOM 1024 HB VAL 65 -13.777 27.253 -3.375 1.00 32.41 ATOM 1025 CG1 VAL 65 -13.637 28.916 -2.061 1.00 32.14 ATOM 1026 HG11 VAL 65 -14.122 29.287 -1.177 1.00 42.03 ATOM 1027 HG12 VAL 65 -13.824 29.575 -2.880 1.00 35.51 ATOM 1028 HG13 VAL 65 -12.571 28.863 -1.887 1.00 3.12 ATOM 1029 CG2 VAL 65 -13.713 26.503 -1.391 1.00 10.44 ATOM 1030 HG21 VAL 65 -12.663 26.632 -1.190 1.00 70.24 ATOM 1031 HG22 VAL 65 -13.870 25.517 -1.777 1.00 35.00 ATOM 1032 HG23 VAL 65 -14.266 26.621 -0.468 1.00 53.41 ATOM 1033 C VAL 65 -16.133 28.534 -3.588 1.00 14.21 ATOM 1034 O VAL 65 -16.348 29.718 -3.328 1.00 40.44 ATOM 1035 N ARG 66 -16.251 28.028 -4.811 1.00 50.43 ATOM 1036 HN ARG 66 -16.050 27.076 -4.969 1.00 37.38 ATOM 1037 CA ARG 66 -16.647 28.855 -5.945 1.00 11.21 ATOM 1038 HA ARG 66 -16.072 29.770 -5.922 1.00 42.23 ATOM 1039 CB ARG 66 -16.362 28.126 -7.259 1.00 42.23 ATOM 1040 HB1 ARG 66 -16.886 28.634 -8.063 1.00 37.38 ATOM 1041 HB2 ARG 66 -16.734 27.114 -7.184 1.00 31.00 ATOM 1042 CG ARG 66 -14.885 28.064 -7.613 1.00 40.23 ATOM 1043 HG1 ARG 66 -14.416 27.282 -7.048 1.00 37.38 ATOM 1044 HG2 ARG 66 -14.419 29.010 -7.371 1.00 12.43 ATOM 1045 CD ARG 66 -14.678 27.795 -9.096 1.00 12.04 ATOM 1046 HD1 ARG 66 -13.636 27.575 -9.276 1.00 37.38 ATOM 1047 HD2 ARG 66 -14.949 28.688 -9.642 1.00 13.24 ATOM 1048 NE ARG 66 -15.507 26.691 -9.572 1.00 51.12 ATOM 1049 HE ARG 66 -16.321 26.922 -10.071 1.00 51.12 ATOM 1050 CZ ARG 66 -15.216 25.411 -9.366 1.00 51.44 ATOM 1051 NH1 ARG 66 -14.123 25.076 -8.696 1.00 5.53 ATOM 1052 HH11 ARG 66 -13.501 25.764 -8.334 1.00 54.42 ATOM 1053 HH12 ARG 66 -13.913 24.107 -8.547 1.00 53.10 ATOM 1054 NH2 ARG 66 -16.020 24.464 -9.831 1.00 70.24 ATOM 1055 HH21 ARG 66 -16.848 24.711 -10.338 1.00 74.53 ATOM 1056 HH22 ARG 66 -15.803 23.498 -9.677 1.00 51.32 ATOM 1057 C ARG 66 -18.127 29.218 -5.863 1.00 20.33 ATOM 1058 O ARG 66 -18.537 30.296 -6.292 1.00 1.41 ATOM 1059 N ASP 67 -18.923 28.310 -5.310 1.00 32.44 ATOM 1060 HN ASP 67 -18.546 27.458 -5.000 1.00 37.38 ATOM 1061 CA ASP 67 -20.358 28.533 -5.170 1.00 45.55 ATOM 1062 HA ASP 67 -20.724 28.941 -6.107 1.00 24.54 ATOM 1063 CB ASP 67 -21.075 27.215 -4.874 1.00 43.44 ATOM 1064 HB1 ASP 67 -21.382 27.176 -3.836 1.00 37.38 ATOM 1065 HB2 ASP 67 -20.406 26.387 -5.067 1.00 30.03 ATOM 1066 CG ASP 67 -22.303 27.018 -5.740 1.00 72.54 ATOM 1067 OD1 ASP 67 -22.142 26.839 -6.966 1.00 14.33 ATOM 1068 OD2 ASP 67 -23.426 27.042 -5.193 1.00 23.20 ATOM 1069 C ASP 67 -20.645 29.543 -4.064 1.00 11.23 ATOM 1070 O ASP 67 -21.494 30.422 -4.217 1.00 61.12 ATOM 1071 N ILE 68 -19.934 29.410 -2.949 1.00 43.54 ATOM 1072 HN ILE 68 -19.258 28.698 -2.896 1.00 37.38 ATOM 1073 CA ILE 68 -20.113 30.311 -1.817 1.00 41.25 ATOM 1074 HA ILE 68 -21.097 30.134 -1.403 1.00 73.30 ATOM 1075 CB ILE 68 -19.066 30.049 -0.718 1.00 53.34 ATOM 1076 HB ILE 68 -18.084 30.222 -1.141 1.00 54.10 ATOM 1077 CG1 ILE 68 -19.159 28.602 -0.230 1.00 0.31 ATOM 1078 HG11 ILE 68 -19.325 27.932 -1.050 1.00 37.38 ATOM 1079 HG12 ILE 68 -19.988 28.506 0.459 1.00 65.14 ATOM 1080 CG2 ILE 68 -19.259 31.018 0.439 1.00 54.14 ATOM 1081 HG21 ILE 68 -19.001 32.019 0.130 1.00 31.41 ATOM 1082 HG22 ILE 68 -18.618 30.733 1.263 1.00 1.22 ATOM 1083 HG23 ILE 68 -20.289 30.998 0.768 1.00 42.20 ATOM 1084 CD1 ILE 68 -17.917 28.127 0.491 1.00 0.22 ATOM 1085 HD11 ILE 68 -18.014 28.339 1.545 1.00 42.31 ATOM 1086 HD12 ILE 68 -17.044 28.631 0.107 1.00 51.32 ATOM 1087 HD13 ILE 68 -17.806 27.062 0.351 1.00 62.41 ATOM 1088 C ILE 68 -20.020 31.769 -2.255 1.00 13.10 ATOM 1089 O ILE 68 -20.879 32.585 -1.918 1.00 25.34 ATOM 1090 N ARG 69 -18.974 32.089 -3.009 1.00 51.44 ATOM 1091 HN ARG 69 -18.320 31.390 -3.251 1.00 37.38 ATOM 1092 CA ARG 69 -18.769 33.449 -3.494 1.00 55.02 ATOM 1093 HA ARG 69 -18.875 34.125 -2.663 1.00 4.34 ATOM 1094 CB ARG 69 -17.361 33.600 -4.073 1.00 14.42 ATOM 1095 HB1 ARG 69 -17.233 32.896 -4.883 1.00 37.38 ATOM 1096 HB2 ARG 69 -16.653 33.366 -3.305 1.00 74.33 ATOM 1097 CG ARG 69 -17.055 35.004 -4.569 1.00 63.24 ATOM 1098 HG1 ARG 69 -15.995 35.180 -4.455 1.00 37.38 ATOM 1099 HG2 ARG 69 -17.602 35.729 -3.979 1.00 60.22 ATOM 1100 CD ARG 69 -17.433 35.172 -6.033 1.00 13.14 ATOM 1101 HD1 ARG 69 -18.430 35.584 -6.084 1.00 37.38 ATOM 1102 HD2 ARG 69 -17.416 34.213 -6.536 1.00 74.42 ATOM 1103 NE ARG 69 -16.522 36.073 -6.734 1.00 34.04 ATOM 1104 HE ARG 69 -15.750 36.430 -6.236 1.00 51.31 ATOM 1105 CZ ARG 69 -16.678 36.435 -8.002 1.00 54.11 ATOM 1106 NH1 ARG 69 -17.705 35.976 -8.705 1.00 23.34 ATOM 1107 HH11 ARG 69 -18.375 35.355 -8.301 1.00 34.31 ATOM 1108 HH12 ARG 69 -17.815 36.255 -9.662 1.00 65.14 ATOM 1109 NH2 ARG 69 -15.807 37.259 -8.570 1.00 61.22 ATOM 1110 HH21 ARG 69 -15.046 37.614 -8.033 1.00 12.34 ATOM 1111 HH22 ARG 69 -15.909 37.525 -9.531 1.00 31.43 ATOM 1112 C ARG 69 -19.807 33.811 -4.552 1.00 75.15 ATOM 1113 O ARG 69 -20.441 34.864 -4.480 1.00 40.11 ATOM 1114 N ARG 70 -19.975 32.931 -5.534 1.00 54.24 ATOM 1115 HN ARG 70 -19.431 32.107 -5.543 1.00 37.38 ATOM 1116 CA ARG 70 -20.935 33.159 -6.608 1.00 62.23 ATOM 1117 HA ARG 70 -20.585 33.996 -7.195 1.00 61.41 ATOM 1118 CB ARG 70 -21.027 31.925 -7.508 1.00 51.34 ATOM 1119 HB1 ARG 70 -21.181 31.055 -6.886 1.00 37.38 ATOM 1120 HB2 ARG 70 -20.085 31.817 -8.030 1.00 5.12 ATOM 1121 CG ARG 70 -22.159 31.993 -8.521 1.00 1.24 ATOM 1122 HG1 ARG 70 -22.385 33.027 -8.751 1.00 37.38 ATOM 1123 HG2 ARG 70 -23.029 31.521 -8.103 1.00 4.21 ATOM 1124 CD ARG 70 -21.792 31.284 -9.815 1.00 34.34 ATOM 1125 HD1 ARG 70 -21.637 30.235 -9.605 1.00 37.38 ATOM 1126 HD2 ARG 70 -20.877 31.712 -10.203 1.00 54.11 ATOM 1127 NE ARG 70 -22.838 31.415 -10.826 1.00 21.21 ATOM 1128 HE ARG 70 -23.661 31.899 -10.580 1.00 40.20 ATOM 1129 CZ ARG 70 -22.739 30.918 -12.054 1.00 1.31 ATOM 1130 NH1 ARG 70 -21.648 30.261 -12.421 1.00 24.33 ATOM 1131 HH11 ARG 70 -20.885 30.127 -11.790 1.00 13.45 ATOM 1132 HH12 ARG 70 -21.582 29.889 -13.349 1.00 31.33 ATOM 1133 NH2 ARG 70 -23.733 31.079 -12.918 1.00 32.31 ATOM 1134 HH21 ARG 70 -24.560 31.575 -12.647 1.00 35.31 ATOM 1135 HH22 ARG 70 -23.661 30.705 -13.845 1.00 23.13 ATOM 1136 C ARG 70 -22.312 33.495 -6.044 1.00 74.55 ATOM 1137 O ARG 70 -23.020 34.349 -6.577 1.00 55.30 ATOM 1138 N ARG 71 -22.686 32.816 -4.965 1.00 24.43 ATOM 1139 HN ARG 71 -22.080 32.142 -4.577 1.00 37.38 ATOM 1140 CA ARG 71 -23.979 33.040 -4.330 1.00 3.41 ATOM 1141 HA ARG 71 -24.708 33.273 -5.099 1.00 12.12 ATOM 1142 CB ARG 71 -24.433 31.782 -3.588 1.00 64.35 ATOM 1143 HB1 ARG 71 -25.304 32.012 -2.983 1.00 37.38 ATOM 1144 HB2 ARG 71 -23.633 31.461 -2.936 1.00 51.22 ATOM 1145 CG ARG 71 -24.781 30.624 -4.510 1.00 43.20 ATOM 1146 HG1 ARG 71 -24.896 29.731 -3.913 1.00 37.38 ATOM 1147 HG2 ARG 71 -23.978 30.479 -5.215 1.00 14.23 ATOM 1148 CD ARG 71 -26.077 30.881 -5.262 1.00 51.31 ATOM 1149 HD1 ARG 71 -25.902 31.630 -6.021 1.00 37.38 ATOM 1150 HD2 ARG 71 -26.821 31.249 -4.565 1.00 13.44 ATOM 1151 NE ARG 71 -26.598 29.668 -5.885 1.00 73.34 ATOM 1152 HE ARG 71 -27.394 29.259 -5.479 1.00 43.45 ATOM 1153 CZ ARG 71 -26.056 29.101 -6.957 1.00 62.13 ATOM 1154 NH1 ARG 71 -24.981 29.635 -7.522 1.00 34.04 ATOM 1155 HH11 ARG 71 -24.564 30.462 -7.172 1.00 41.05 ATOM 1156 HH12 ARG 71 -24.576 29.193 -8.325 1.00 11.40 ATOM 1157 NH2 ARG 71 -26.588 27.997 -7.466 1.00 43.15 ATOM 1158 HH21 ARG 71 -27.400 27.588 -7.044 1.00 15.54 ATOM 1159 HH22 ARG 71 -26.181 27.568 -8.275 1.00 41.41 ATOM 1160 C ARG 71 -23.912 34.218 -3.362 1.00 24.24 ATOM 1161 O ARG 71 -24.899 34.923 -3.156 1.00 64.21 ATOM 1162 N GLY 72 -22.739 34.424 -2.768 1.00 75.34 ATOM 1163 HN GLY 72 -21.986 33.820 -2.930 1.00 37.38 ATOM 1164 CA GLY 72 -22.565 35.516 -1.829 1.00 34.45 ATOM 1165 HA1 GLY 72 -21.609 35.401 -1.340 1.00 37.38 ATOM 1166 HA2 GLY 72 -23.344 35.474 -1.078 1.00 71.44 ATOM 1167 C GLY 72 -22.604 36.873 -2.503 1.00 25.32 ATOM 1168 O GLY 72 -23.061 37.854 -1.916 1.00 22.31 ATOM 1169 N LYS 73 -22.120 36.931 -3.739 1.00 74.02 ATOM 1170 HN LYS 73 -21.765 36.118 -4.166 1.00 37.38 ATOM 1171 CA LYS 73 -22.100 38.178 -4.495 1.00 71.42 ATOM 1172 HA LYS 73 -22.015 39.003 -3.795 1.00 43.13 ATOM 1173 CB LYS 73 -20.898 38.204 -5.442 1.00 2.53 ATOM 1174 HB1 LYS 73 -21.170 37.755 -6.391 1.00 37.38 ATOM 1175 HB2 LYS 73 -20.098 37.621 -5.003 1.00 54.11 ATOM 1176 CG LYS 73 -20.362 39.601 -5.705 1.00 55.24 ATOM 1177 HG1 LYS 73 -20.029 40.033 -4.774 1.00 37.38 ATOM 1178 HG2 LYS 73 -21.163 40.204 -6.110 1.00 54.11 ATOM 1179 CD LYS 73 -19.222 39.581 -6.709 1.00 62.10 ATOM 1180 HD1 LYS 73 -19.111 40.572 -7.123 1.00 37.38 ATOM 1181 HD2 LYS 73 -19.446 38.884 -7.506 1.00 20.53 ATOM 1182 CE LYS 73 -17.910 39.179 -6.053 1.00 64.04 ATOM 1183 HE1 LYS 73 -17.167 39.047 -6.825 1.00 37.38 ATOM 1184 HE2 LYS 73 -18.045 38.245 -5.526 1.00 44.45 ATOM 1185 NZ LYS 73 -17.429 40.213 -5.096 1.00 24.14 ATOM 1186 HZ1 LYS 73 -18.051 40.257 -4.266 1.00 71.43 ATOM 1187 HZ2 LYS 73 -17.406 41.151 -5.549 1.00 63.04 ATOM 1188 HZ3 LYS 73 -16.467 39.977 -4.777 1.00 22.11 ATOM 1189 C LYS 73 -23.390 38.353 -5.290 1.00 72.10 ATOM 1190 O LYS 73 -23.794 39.474 -5.595 1.00 73.05 ATOM 1191 N ASN 74 -24.033 37.237 -5.621 1.00 4.35 ATOM 1192 HN ASN 74 -23.655 36.362 -5.374 1.00 37.38 ATOM 1193 CA ASN 74 -25.278 37.269 -6.379 1.00 62.51 ATOM 1194 HA ASN 74 -25.056 37.648 -7.367 1.00 34.54 ATOM 1195 CB ASN 74 -25.858 35.858 -6.506 1.00 3.34 ATOM 1196 HB1 ASN 74 -26.070 35.467 -5.521 1.00 37.38 ATOM 1197 HB2 ASN 74 -25.137 35.224 -6.991 1.00 12.41 ATOM 1198 CG ASN 74 -27.136 35.830 -7.320 1.00 73.15 ATOM 1199 OD1 ASN 74 -28.237 35.849 -6.770 1.00 12.13 ATOM 1200 ND2 ASN 74 -26.996 35.784 -8.640 1.00 62.32 ATOM 1201 HD21 ASN 74 -26.091 35.770 -9.026 1.00 62.42 ATOM 1202 HD22 ASN 74 -27.811 35.765 -9.184 1.00 40.11 ATOM 1203 C ASN 74 -26.296 38.191 -5.716 1.00 43.50 ATOM 1204 O ASN 74 -27.144 38.782 -6.385 1.00 43.13 ATOM 1205 N LYS 75 -26.205 38.312 -4.396 1.00 34.52 ATOM 1206 HN LYS 75 -25.543 37.782 -3.898 1.00 37.38 ATOM 1207 CA LYS 75 -27.116 39.164 -3.640 1.00 71.54 ATOM 1208 HA LYS 75 -28.130 38.917 -3.927 1.00 54.34 ATOM 1209 CB LYS 75 -26.956 38.912 -2.139 1.00 71.44 ATOM 1210 HB1 LYS 75 -25.945 39.169 -1.850 1.00 37.38 ATOM 1211 HB2 LYS 75 -27.109 37.858 -1.944 1.00 31.00 ATOM 1212 CG LYS 75 -27.911 39.723 -1.281 1.00 52.03 ATOM 1213 HG1 LYS 75 -28.057 40.706 -1.703 1.00 37.38 ATOM 1214 HG2 LYS 75 -27.472 39.827 -0.299 1.00 32.43 ATOM 1215 CD LYS 75 -29.253 39.026 -1.129 1.00 50.41 ATOM 1216 HD1 LYS 75 -29.179 38.294 -0.338 1.00 37.38 ATOM 1217 HD2 LYS 75 -29.514 38.531 -2.056 1.00 64.54 ATOM 1218 CE LYS 75 -30.358 40.014 -0.788 1.00 12.13 ATOM 1219 HE1 LYS 75 -31.306 39.569 -1.053 1.00 37.38 ATOM 1220 HE2 LYS 75 -30.224 40.925 -1.357 1.00 23.13 ATOM 1221 NZ LYS 75 -30.377 40.345 0.664 1.00 13.20 ATOM 1222 HZ1 LYS 75 -31.142 41.022 0.863 1.00 31.23 ATOM 1223 HZ2 LYS 75 -29.472 40.772 0.950 1.00 11.42 ATOM 1224 HZ3 LYS 75 -30.537 39.485 1.229 1.00 51.42 ATOM 1225 C LYS 75 -26.865 40.636 -3.949 1.00 14.20 ATOM 1226 O LYS 75 -27.801 41.433 -4.022 1.00 4.41 ATOM 1227 N VAL 76 -25.597 40.991 -4.131 1.00 32.51 ATOM 1228 HN VAL 76 -24.885 40.315 -4.062 1.00 37.38 ATOM 1229 CA VAL 76 -25.224 42.367 -4.434 1.00 70.14 ATOM 1230 HA VAL 76 -25.905 43.032 -3.910 1.00 11.14 ATOM 1231 CB VAL 76 -23.792 42.678 -3.959 1.00 53.03 ATOM 1232 HB VAL 76 -23.093 42.117 -4.567 1.00 65.13 ATOM 1233 CG1 VAL 76 -23.484 44.158 -4.126 1.00 41.21 ATOM 1234 HG11 VAL 76 -22.527 44.385 -3.672 1.00 42.41 ATOM 1235 HG12 VAL 76 -24.253 44.751 -3.651 1.00 64.42 ATOM 1236 HG13 VAL 76 -23.439 44.401 -5.174 1.00 52.45 ATOM 1237 CG2 VAL 76 -23.606 42.246 -2.513 1.00 24.22 ATOM 1238 HG21 VAL 76 -24.331 42.747 -1.887 1.00 12.20 ATOM 1239 HG22 VAL 76 -22.609 42.505 -2.182 1.00 74.24 ATOM 1240 HG23 VAL 76 -23.736 41.178 -2.429 1.00 71.12 ATOM 1241 C VAL 76 -25.324 42.646 -5.930 1.00 5.32 ATOM 1242 O VAL 76 -25.604 43.771 -6.344 1.00 70.52 ATOM 1243 N ALA 77 -25.092 41.615 -6.735 1.00 71.05 ATOM 1244 HN ALA 77 -24.865 40.737 -6.354 1.00 37.38 ATOM 1245 CA ALA 77 -25.158 41.749 -8.185 1.00 72.54 ATOM 1246 HA ALA 77 -24.659 42.668 -8.470 1.00 2.10 ATOM 1247 CB ALA 77 -24.424 40.597 -8.856 1.00 23.25 ATOM 1248 HB1 ALA 77 -24.911 39.663 -8.612 1.00 71.43 ATOM 1249 HB2 ALA 77 -23.403 40.571 -8.504 1.00 64.52 ATOM 1250 HB3 ALA 77 -24.429 40.737 -9.928 1.00 63.34 ATOM 1251 C ALA 77 -26.604 41.807 -8.666 1.00 52.40 ATOM 1252 O ALA 77 -26.927 42.533 -9.606 1.00 3.42 ATOM 1253 N ALA 78 -27.471 41.038 -8.015 1.00 62.04 ATOM 1254 HN ALA 78 -27.155 40.459 -7.282 1.00 37.38 ATOM 1255 CA ALA 78 -28.883 41.004 -8.376 1.00 3.00 ATOM 1256 HA ALA 78 -28.965 40.588 -9.371 1.00 74.04 ATOM 1257 CB ALA 78 -29.649 40.099 -7.423 1.00 12.12 ATOM 1258 HB1 ALA 78 -30.703 40.116 -7.668 1.00 10.31 ATOM 1259 HB2 ALA 78 -29.510 40.442 -6.409 1.00 43.10 ATOM 1260 HB3 ALA 78 -29.280 39.089 -7.515 1.00 45.24 ATOM 1261 C ALA 78 -29.483 42.406 -8.376 1.00 33.34 ATOM 1262 O ALA 78 -30.265 42.755 -9.260 1.00 2.55 ATOM 1263 N GLN 79 -29.113 43.203 -7.378 1.00 73.34 ATOM 1264 HN GLN 79 -28.491 42.860 -6.699 1.00 37.38 ATOM 1265 CA GLN 79 -29.618 44.566 -7.263 1.00 44.04 ATOM 1266 HA GLN 79 -30.668 44.568 -7.531 1.00 33.22 ATOM 1267 CB GLN 79 -29.483 45.062 -5.823 1.00 3.41 ATOM 1268 HB1 GLN 79 -30.056 44.411 -5.179 1.00 37.38 ATOM 1269 HB2 GLN 79 -29.892 46.063 -5.758 1.00 60.15 ATOM 1270 CG GLN 79 -28.049 45.085 -5.319 1.00 23.31 ATOM 1271 HG1 GLN 79 -27.414 45.579 -6.037 1.00 37.38 ATOM 1272 HG2 GLN 79 -27.714 44.071 -5.184 1.00 4.34 ATOM 1273 CD GLN 79 -27.907 45.808 -3.994 1.00 42.12 ATOM 1274 OE1 GLN 79 -27.480 46.962 -3.947 1.00 3.05 ATOM 1275 NE2 GLN 79 -28.265 45.132 -2.909 1.00 14.31 ATOM 1276 HE21 GLN 79 -28.600 44.212 -3.006 1.00 2.01 ATOM 1277 HE22 GLN 79 -28.180 45.583 -2.043 1.00 14.24 ATOM 1278 C GLN 79 -28.873 45.503 -8.209 1.00 12.34 ATOM 1279 O GLN 79 -29.406 46.530 -8.627 1.00 72.12 ATOM 1280 N ASN 80 -27.638 45.142 -8.540 1.00 42.53 ATOM 1281 HN ASN 80 -27.246 44.330 -8.161 1.00 37.38 ATOM 1282 CA ASN 80 -26.819 45.952 -9.436 1.00 14.24 ATOM 1283 HA ASN 80 -27.224 46.958 -9.478 1.00 14.23 ATOM 1284 CB ASN 80 -25.381 46.024 -8.920 1.00 65.44 ATOM 1285 HB1 ASN 80 -24.721 46.358 -9.712 1.00 37.38 ATOM 1286 HB2 ASN 80 -25.070 45.040 -8.601 1.00 64.11 ATOM 1287 CG ASN 80 -25.228 46.993 -7.764 1.00 61.11 ATOM 1288 OD1 ASN 80 -25.557 48.173 -7.882 1.00 12.35 ATOM 1289 ND2 ASN 80 -24.726 46.497 -6.639 1.00 50.10 ATOM 1290 HD21 ASN 80 -24.482 45.548 -6.603 1.00 44.11 ATOM 1291 HD22 ASN 80 -24.619 47.107 -5.880 1.00 72.44 ATOM 1292 C ASN 80 -26.837 45.384 -10.851 1.00 42.04 ATOM 1293 O ASN 80 -25.860 45.503 -11.591 1.00 50.14 ATOM 1294 N TYR 81 -27.953 44.767 -11.221 1.00 74.15 ATOM 1295 HN TYR 81 -28.722 44.725 -10.620 1.00 37.38 ATOM 1296 CA TYR 81 -28.098 44.179 -12.548 1.00 21.43 ATOM 1297 HA TYR 81 -27.116 44.121 -13.010 1.00 63.33 ATOM 1298 CB TYR 81 -28.670 42.764 -12.441 1.00 60.14 ATOM 1299 HB1 TYR 81 -29.752 42.809 -12.381 1.00 37.38 ATOM 1300 HB2 TYR 81 -28.300 42.301 -11.538 1.00 23.03 ATOM 1301 CG TYR 81 -28.305 41.874 -13.608 1.00 53.12 ATOM 1302 CD1 TYR 81 -27.376 40.852 -13.464 1.00 20.51 ATOM 1303 HD1 TYR 81 -26.909 40.694 -12.502 1.00 4.25 ATOM 1304 CD2 TYR 81 -28.891 42.056 -14.855 1.00 73.51 ATOM 1305 HD2 TYR 81 -29.623 42.837 -14.988 1.00 61.41 ATOM 1306 CE1 TYR 81 -27.039 40.037 -14.527 1.00 74.24 ATOM 1307 HE1 TYR 81 -26.314 39.248 -14.394 1.00 51.54 ATOM 1308 CE2 TYR 81 -28.562 41.245 -15.924 1.00 22.41 ATOM 1309 HE2 TYR 81 -29.019 41.407 -16.882 1.00 2.13 ATOM 1310 CZ TYR 81 -27.635 40.237 -15.755 1.00 51.12 ATOM 1311 OH TYR 81 -27.304 39.427 -16.817 1.00 25.32 ATOM 1312 HH TYR 81 -27.694 38.555 -16.697 1.00 74.23 ATOM 1313 C TYR 81 -28.998 45.038 -13.430 1.00 10.31 ATOM 1314 O TYR 81 -29.976 45.619 -12.959 1.00 3.52 ATOM 1315 N ARG 82 -28.660 45.113 -14.713 1.00 54.22 ATOM 1316 HN ARG 82 -27.858 44.632 -15.031 1.00 37.38 ATOM 1317 CA ARG 82 -29.437 45.902 -15.663 1.00 24.34 ATOM 1318 HA ARG 82 -30.487 45.704 -15.484 1.00 41.40 ATOM 1319 CB ARG 82 -29.150 47.392 -15.475 1.00 4.52 ATOM 1320 HB1 ARG 82 -28.906 47.849 -16.424 1.00 37.38 ATOM 1321 HB2 ARG 82 -28.294 47.504 -14.821 1.00 11.42 ATOM 1322 CG ARG 82 -30.303 48.161 -14.850 1.00 61.15 ATOM 1323 HG1 ARG 82 -29.960 49.153 -14.596 1.00 37.38 ATOM 1324 HG2 ARG 82 -30.634 47.658 -13.957 1.00 33.42 ATOM 1325 CD ARG 82 -31.476 48.282 -15.811 1.00 2.54 ATOM 1326 HD1 ARG 82 -32.277 48.805 -15.308 1.00 37.38 ATOM 1327 HD2 ARG 82 -31.814 47.294 -16.086 1.00 32.14 ATOM 1328 NE ARG 82 -31.119 49.018 -17.021 1.00 24.32 ATOM 1329 HE ARG 82 -30.193 49.340 -17.114 1.00 44.05 ATOM 1330 CZ ARG 82 -31.978 49.287 -17.998 1.00 25.13 ATOM 1331 NH1 ARG 82 -33.237 48.884 -17.907 1.00 33.21 ATOM 1332 HH11 ARG 82 -33.564 48.375 -17.111 1.00 52.52 ATOM 1333 HH12 ARG 82 -33.879 49.091 -18.649 1.00 75.14 ATOM 1334 NH2 ARG 82 -31.577 49.961 -19.068 1.00 1.20 ATOM 1335 HH21 ARG 82 -30.626 50.269 -19.142 1.00 20.12 ATOM 1336 HH22 ARG 82 -32.223 50.165 -19.807 1.00 1.15 ATOM 1337 C ARG 82 -29.122 45.489 -17.097 1.00 60.15 ATOM 1338 O ARG 82 -28.229 44.677 -17.340 1.00 30.40 ATOM 1339 N LYS 83 -29.862 46.053 -18.046 1.00 1.42 ATOM 1340 HN LYS 83 -30.568 46.684 -17.803 1.00 37.38 ATOM 1341 CA LYS 83 -29.663 45.746 -19.457 1.00 63.10 ATOM 1342 HA LYS 83 -28.889 44.990 -19.554 1.00 33.02 ATOM 1343 CB LYS 83 -30.955 45.202 -20.069 1.00 35.40 ATOM 1344 HB1 LYS 83 -30.951 45.389 -21.137 1.00 37.38 ATOM 1345 HB2 LYS 83 -31.802 45.721 -19.637 1.00 31.43 ATOM 1346 CG LYS 83 -31.138 43.706 -19.875 1.00 1.33 ATOM 1347 HG1 LYS 83 -30.184 43.206 -19.985 1.00 37.38 ATOM 1348 HG2 LYS 83 -31.817 43.349 -20.638 1.00 20.23 ATOM 1349 CD LYS 83 -31.711 43.388 -18.504 1.00 75.01 ATOM 1350 HD1 LYS 83 -32.471 44.117 -18.248 1.00 37.38 ATOM 1351 HD2 LYS 83 -30.916 43.426 -17.775 1.00 22.11 ATOM 1352 CE LYS 83 -32.340 42.003 -18.471 1.00 13.41 ATOM 1353 HE1 LYS 83 -33.082 41.931 -19.254 1.00 37.38 ATOM 1354 HE2 LYS 83 -32.819 41.865 -17.513 1.00 2.24 ATOM 1355 NZ LYS 83 -31.327 40.929 -18.660 1.00 45.10 ATOM 1356 HZ1 LYS 83 -30.647 40.939 -17.882 1.00 73.54 ATOM 1357 HZ2 LYS 83 -30.816 41.053 -19.558 1.00 21.21 ATOM 1358 HZ3 LYS 83 -31.798 40.002 -18.675 1.00 45.31 ATOM 1359 C LYS 83 -29.206 46.983 -20.224 1.00 70.42 ATOM 1360 O LYS 83 -30.026 47.750 -20.728 1.00 13.11 ATOM 1361 N ARG 84 -27.893 47.169 -20.310 1.00 61.31 ATOM 1362 HN ARG 84 -27.290 46.519 -19.884 1.00 37.38 ATOM 1363 CA ARG 84 -27.328 48.312 -21.016 1.00 41.14 ATOM 1364 HA ARG 84 -27.941 49.182 -20.811 1.00 32.52 ATOM 1365 CB ARG 84 -25.906 48.590 -20.526 1.00 23.31 ATOM 1366 HB1 ARG 84 -25.492 49.404 -21.109 1.00 37.38 ATOM 1367 HB2 ARG 84 -25.298 47.710 -20.690 1.00 54.43 ATOM 1368 CG ARG 84 -25.834 48.993 -19.062 1.00 71.21 ATOM 1369 HG1 ARG 84 -26.751 49.491 -18.771 1.00 37.38 ATOM 1370 HG2 ARG 84 -25.005 49.675 -18.937 1.00 63.23 ATOM 1371 CD ARG 84 -25.619 47.786 -18.162 1.00 4.31 ATOM 1372 HD1 ARG 84 -25.019 47.045 -18.677 1.00 37.38 ATOM 1373 HD2 ARG 84 -26.582 47.360 -17.923 1.00 45.32 ATOM 1374 NE ARG 84 -24.941 48.145 -16.919 1.00 32.12 ATOM 1375 HE ARG 84 -24.666 49.084 -16.797 1.00 41.25 ATOM 1376 CZ ARG 84 -24.677 47.277 -15.949 1.00 20.51 ATOM 1377 NH1 ARG 84 -25.031 46.005 -16.078 1.00 41.32 ATOM 1378 HH11 ARG 84 -25.498 45.676 -16.898 1.00 33.03 ATOM 1379 HH12 ARG 84 -24.828 45.357 -15.341 1.00 4.22 ATOM 1380 NH2 ARG 84 -24.057 47.679 -14.847 1.00 41.20 ATOM 1381 HH21 ARG 84 -23.786 48.638 -14.743 1.00 74.42 ATOM 1382 HH22 ARG 84 -23.857 47.025 -14.114 1.00 3.12 ATOM 1383 C ARG 84 -27.320 48.071 -22.523 1.00 63.30 ATOM 1384 O ARG 84 -26.263 47.894 -23.129 1.00 24.31 ATOM 1385 N LYS 85 -28.506 48.064 -23.122 1.00 44.24 ATOM 1386 HN LYS 85 -29.322 48.227 -22.600 1.00 37.38 ATOM 1387 CA LYS 85 -28.637 47.845 -24.558 1.00 3.41 ATOM 1388 HA LYS 85 -29.691 47.869 -24.796 1.00 21.45 ATOM 1389 CB LYS 85 -27.905 48.945 -25.331 1.00 70.12 ATOM 1390 HB1 LYS 85 -27.191 48.516 -26.021 1.00 37.38 ATOM 1391 HB2 LYS 85 -27.360 49.566 -24.632 1.00 63.33 ATOM 1392 CG LYS 85 -28.831 49.844 -26.132 1.00 64.14 ATOM 1393 HG1 LYS 85 -29.718 50.049 -25.544 1.00 37.38 ATOM 1394 HG2 LYS 85 -29.120 49.328 -27.037 1.00 11.02 ATOM 1395 CD LYS 85 -28.166 51.167 -26.473 1.00 65.14 ATOM 1396 HD1 LYS 85 -27.284 51.317 -25.863 1.00 37.38 ATOM 1397 HD2 LYS 85 -28.868 51.964 -26.276 1.00 22.10 ATOM 1398 CE LYS 85 -27.762 51.227 -27.939 1.00 34.22 ATOM 1399 HE1 LYS 85 -27.373 50.266 -28.251 1.00 37.38 ATOM 1400 HE2 LYS 85 -26.990 51.974 -28.049 1.00 21.01 ATOM 1401 NZ LYS 85 -28.909 51.596 -28.815 1.00 4.43 ATOM 1402 HZ1 LYS 85 -29.280 52.533 -28.550 1.00 25.42 ATOM 1403 HZ2 LYS 85 -29.673 50.894 -28.727 1.00 34.43 ATOM 1404 HZ3 LYS 85 -28.601 51.628 -29.808 1.00 23.03 ATOM 1405 C LYS 85 -28.086 46.479 -24.953 1.00 24.14 ATOM 1406 O LYS 85 -27.713 46.258 -26.106 1.00 35.32 ATOM 1407 N LEU 86 -28.037 45.565 -23.990 1.00 12.14 ATOM 1408 HN LEU 86 -28.410 45.762 -23.103 1.00 37.38 ATOM 1409 CA LEU 86 -27.533 44.219 -24.237 1.00 60.21 ATOM 1410 HA LEU 86 -26.674 44.297 -24.898 1.00 72.11 ATOM 1411 CB LEU 86 -27.086 43.571 -22.925 1.00 53.13 ATOM 1412 HB1 LEU 86 -27.207 42.496 -23.023 1.00 37.38 ATOM 1413 HB2 LEU 86 -27.745 43.903 -22.132 1.00 70.54 ATOM 1414 CG LEU 86 -25.640 43.836 -22.504 1.00 74.12 ATOM 1415 HG LEU 86 -24.992 43.723 -23.362 1.00 31.35 ATOM 1416 CD1 LEU 86 -25.487 45.258 -21.987 1.00 61.20 ATOM 1417 HD11 LEU 86 -25.648 45.930 -22.800 1.00 74.32 ATOM 1418 HD12 LEU 86 -24.487 45.404 -21.598 1.00 62.22 ATOM 1419 HD13 LEU 86 -26.205 45.444 -21.210 1.00 34.30 ATOM 1420 CD2 LEU 86 -25.200 42.832 -21.449 1.00 10.03 ATOM 1421 HD21 LEU 86 -24.169 43.017 -21.179 1.00 42.53 ATOM 1422 HD22 LEU 86 -25.288 41.829 -21.844 1.00 23.22 ATOM 1423 HD23 LEU 86 -25.824 42.928 -20.570 1.00 52.04 ATOM 1424 C LEU 86 -28.595 43.354 -24.909 1.00 13.35 ATOM 1425 O LEU 86 -29.755 43.349 -24.497 1.00 21.40 ATOM 1426 N GLU 87 -28.190 42.624 -25.943 1.00 22.14 ATOM 1427 HN GLU 87 -27.249 42.679 -26.237 1.00 37.38 ATOM 1428 CA GLU 87 -29.107 41.754 -26.669 1.00 54.55 ATOM 1429 HA GLU 87 -29.801 41.319 -25.955 1.00 70.21 ATOM 1430 CB GLU 87 -29.888 42.558 -27.712 1.00 33.42 ATOM 1431 HB1 GLU 87 -30.115 41.918 -28.560 1.00 37.38 ATOM 1432 HB2 GLU 87 -29.276 43.381 -28.056 1.00 61.10 ATOM 1433 CG GLU 87 -31.194 43.130 -27.186 1.00 70.22 ATOM 1434 HG1 GLU 87 -30.989 44.078 -26.710 1.00 37.38 ATOM 1435 HG2 GLU 87 -31.622 42.450 -26.461 1.00 35.13 ATOM 1436 CD GLU 87 -32.217 43.353 -28.283 1.00 43.14 ATOM 1437 OE1 GLU 87 -32.215 44.450 -28.881 1.00 63.31 ATOM 1438 OE2 GLU 87 -33.019 42.432 -28.544 1.00 44.21 ATOM 1439 C GLU 87 -28.354 40.615 -27.349 1.00 62.04 ATOM 1440 O GLU 87 -27.188 40.759 -27.720 1.00 53.41 ATOM 1441 N THR 88 -29.028 39.480 -27.510 1.00 3.23 ATOM 1442 HN THR 88 -29.960 39.423 -27.190 1.00 37.38 ATOM 1443 CA THR 88 -28.423 38.315 -28.143 1.00 1.03 ATOM 1444 HA THR 88 -27.630 37.961 -27.492 1.00 14.24 ATOM 1445 CB THR 88 -29.448 37.180 -28.325 1.00 63.51 ATOM 1446 HB THR 88 -29.065 36.461 -29.041 1.00 53.01 ATOM 1447 OG1 THR 88 -30.684 37.710 -28.816 1.00 60.42 ATOM 1448 HG1 THR 88 -30.623 37.843 -29.765 1.00 55.45 ATOM 1449 CG2 THR 88 -29.688 36.452 -27.011 1.00 74.32 ATOM 1450 HG21 THR 88 -28.760 36.026 -26.657 1.00 45.43 ATOM 1451 HG22 THR 88 -30.409 35.663 -27.165 1.00 52.45 ATOM 1452 HG23 THR 88 -30.069 37.146 -26.276 1.00 53.13 ATOM 1453 C THR 88 -27.831 38.673 -29.501 1.00 64.30 ATOM 1454 O THR 88 -28.560 38.967 -30.449 1.00 31.34 ATOM 1455 N ILE 89 -26.505 38.645 -29.589 1.00 52.10 ATOM 1456 HN ILE 89 -25.970 38.387 -28.801 1.00 37.38 ATOM 1457 CA ILE 89 -25.816 38.965 -30.833 1.00 22.11 ATOM 1458 HA ILE 89 -26.398 39.708 -31.370 1.00 55.40 ATOM 1459 CB ILE 89 -24.417 39.551 -30.567 1.00 1.44 ATOM 1460 HB ILE 89 -23.785 38.771 -30.163 1.00 52.24 ATOM 1461 CG1 ILE 89 -24.503 40.690 -29.548 1.00 61.01 ATOM 1462 HG11 ILE 89 -23.504 41.049 -29.339 1.00 37.38 ATOM 1463 HG12 ILE 89 -24.939 40.330 -28.630 1.00 51.34 ATOM 1464 CG2 ILE 89 -23.792 40.041 -31.865 1.00 21.45 ATOM 1465 HG21 ILE 89 -22.870 40.567 -31.650 1.00 40.12 ATOM 1466 HG22 ILE 89 -24.472 40.709 -32.376 1.00 44.22 ATOM 1467 HG23 ILE 89 -23.572 39.199 -32.503 1.00 32.22 ATOM 1468 CD1 ILE 89 -25.320 41.869 -30.027 1.00 53.13 ATOM 1469 HD11 ILE 89 -26.326 41.554 -30.253 1.00 41.35 ATOM 1470 HD12 ILE 89 -24.869 42.298 -30.908 1.00 43.34 ATOM 1471 HD13 ILE 89 -25.351 42.616 -29.248 1.00 33.22 ATOM 1472 C ILE 89 -25.677 37.731 -31.718 1.00 33.44 ATOM 1473 O ILE 89 -25.599 37.836 -32.942 1.00 11.33 ATOM 1474 N VAL 90 -25.649 36.559 -31.090 1.00 12.23 ATOM 1475 HN VAL 90 -25.708 36.523 -30.108 1.00 37.38 ATOM 1476 CA VAL 90 -25.523 35.303 -31.820 1.00 12.44 ATOM 1477 HA VAL 90 -25.016 35.498 -32.763 1.00 31.21 ATOM 1478 CB VAL 90 -24.677 34.282 -31.037 1.00 32.31 ATOM 1479 HB VAL 90 -25.169 34.077 -30.095 1.00 10.55 ATOM 1480 CG1 VAL 90 -24.567 32.976 -31.809 1.00 71.12 ATOM 1481 HG11 VAL 90 -23.861 32.320 -31.315 1.00 51.24 ATOM 1482 HG12 VAL 90 -24.224 33.171 -32.816 1.00 55.34 ATOM 1483 HG13 VAL 90 -25.529 32.487 -31.845 1.00 53.31 ATOM 1484 CG2 VAL 90 -23.299 34.851 -30.736 1.00 62.24 ATOM 1485 HG21 VAL 90 -23.398 35.749 -30.143 1.00 22.24 ATOM 1486 HG22 VAL 90 -22.791 35.086 -31.661 1.00 21.32 ATOM 1487 HG23 VAL 90 -22.719 34.124 -30.184 1.00 64.22 ATOM 1488 C VAL 90 -26.891 34.697 -32.111 1.00 15.25 ATOM 1489 O VAL 90 -27.780 34.711 -31.259 1.00 72.24 ATOM 1490 N GLN 91 -27.053 34.166 -33.318 1.00 64.21 ATOM 1491 HN GLN 91 -26.306 34.173 -33.961 1.00 37.38 ATOM 1492 HA GLN 91 -29.054 33.708 -32.946 1.00 73.44 ATOM 1493 CB GLN 91 -28.823 34.191 -35.015 1.00 44.34 ATOM 1494 HB1 GLN 91 -29.784 33.763 -35.264 1.00 37.38 ATOM 1495 HB2 GLN 91 -28.125 33.976 -35.813 1.00 53.13 ATOM 1496 CG GLN 91 -28.987 35.700 -34.928 1.00 21.14 ATOM 1497 HG1 GLN 91 -29.575 36.034 -35.770 1.00 37.38 ATOM 1498 HG2 GLN 91 -28.010 36.158 -34.967 1.00 70.34 ATOM 1499 CD GLN 91 -29.676 36.139 -33.651 1.00 33.53 ATOM 1500 OE1 GLN 91 -29.144 36.948 -32.890 1.00 63.44 ATOM 1501 NE2 GLN 91 -30.868 35.606 -33.408 1.00 32.20 ATOM 1502 HE21 GLN 91 -31.250 34.965 -34.050 1.00 30.21 ATOM 1503 HE22 GLN 91 -31.327 35.877 -32.586 1.00 23.24 ATOM 1504 CA GLN 91 -28.314 33.555 -33.721 1.00 65.51 ATOM 1505 C GLN 91 -28.153 32.050 -33.910 1.00 31.44 ATOM 1506 OT1 GLN 91 -27.270 31.640 -34.697 1.00 37.38 ATOM 1507 OT2 GLN 91 -28.910 31.288 -33.271 1.00 37.38 ATOM 1508 OH2 TIP3 1 -25.517 15.385 7.707 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -25.566 14.430 7.670 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -26.343 15.653 8.109 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -28.235 19.253 8.814 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.035 19.677 7.979 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -27.579 19.596 9.421 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -25.806 17.915 2.690 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -25.828 18.100 3.629 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -25.116 18.484 2.349 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -26.243 17.482 5.612 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -26.730 16.747 5.241 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -25.694 17.089 6.290 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.068 18.005 -1.738 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -28.415 17.658 -2.346 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.557 18.494 -1.092 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -29.217 19.101 4.557 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -29.399 20.017 4.346 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -29.041 18.691 3.710 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -27.088 17.785 -3.730 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -27.282 17.037 -4.295 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -27.127 18.543 -4.314 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -27.870 16.536 8.420 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -28.652 16.350 7.900 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -27.942 17.465 8.637 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -26.434 15.154 11.585 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -26.361 16.093 11.755 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -25.529 14.849 11.528 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -31.022 17.885 12.248 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -30.647 17.141 11.777 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -31.018 17.615 13.166 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -31.353 17.811 14.997 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -32.288 17.911 15.176 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -31.073 17.102 15.575 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -27.640 15.412 14.134 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -28.013 14.586 14.444 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -27.363 15.229 13.237 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -29.515 16.180 10.774 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -29.232 15.386 11.227 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -28.775 16.413 10.213 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -25.806 17.915 21.546 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -25.828 18.100 22.485 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -25.116 18.484 21.205 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -29.068 18.005 17.118 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -28.415 17.658 16.510 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -28.557 18.494 17.764 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -27.088 17.785 15.126 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -27.282 17.037 14.561 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -27.127 18.543 14.542 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -32.320 29.278 -39.262 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -32.231 30.222 -39.394 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -32.959 29.003 -39.920 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -33.387 28.533 -35.843 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -33.425 27.887 -35.138 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -33.710 28.067 -36.614 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -32.570 36.577 -37.329 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -31.950 35.900 -37.602 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -32.778 36.359 -36.421 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -34.998 30.966 -35.437 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -34.694 30.280 -36.031 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -34.276 31.084 -34.819 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -31.857 25.360 -35.109 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -31.714 24.413 -35.089 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -31.963 25.567 -36.038 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -25.943 24.045 -32.340 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -26.632 24.703 -32.435 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -25.928 23.848 -31.403 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -32.523 31.879 -40.219 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -32.819 31.557 -41.070 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -32.847 32.779 -40.177 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -30.917 35.093 -38.568 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -30.492 34.386 -39.053 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -30.600 35.894 -38.985 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -29.758 32.994 -40.059 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -30.015 32.304 -40.671 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -29.687 32.551 -39.214 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -26.230 27.900 -33.516 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -26.882 28.595 -33.427 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -25.765 28.110 -34.326 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -30.193 28.732 -40.858 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -30.925 28.960 -40.285 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -29.746 28.018 -40.403 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -30.296 26.906 -31.790 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -30.216 27.669 -31.218 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -30.897 27.185 -32.481 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -37.181 32.790 -36.294 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -37.276 32.212 -37.051 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -36.452 32.419 -35.798 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -37.301 32.530 -30.625 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -37.613 33.312 -30.169 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -37.951 32.377 -31.311 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -33.596 34.631 -39.738 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -33.122 34.926 -38.960 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -34.159 35.369 -39.971 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -34.538 33.815 -31.129 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -34.451 34.641 -30.654 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -35.402 33.485 -30.880 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -31.353 36.667 -41.571 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -32.288 36.767 -41.392 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -31.073 35.958 -40.993 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -28.365 25.734 -29.525 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -28.772 26.215 -30.245 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -28.324 24.829 -29.832 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -30.608 24.066 -31.304 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -31.122 23.940 -30.507 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -30.763 24.978 -31.549 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -31.969 25.637 -37.894 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -32.164 26.242 -38.609 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -31.787 24.803 -38.329 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -32.705 27.275 -33.223 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -32.381 26.644 -33.866 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -33.145 26.740 -32.562 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -33.917 30.775 -31.216 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -34.263 30.394 -30.410 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -34.117 31.709 -31.145 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -27.640 34.268 -42.434 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -28.013 33.442 -42.124 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -27.363 34.085 -43.331 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -35.995 35.216 -33.388 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -35.632 36.071 -33.621 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -35.463 34.924 -32.647 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -29.609 26.865 -36.873 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -30.406 26.450 -37.202 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -29.164 26.174 -36.382 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -38.211 35.711 -27.403 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -37.443 35.252 -27.062 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -38.232 35.485 -28.333 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -33.102 29.282 -27.997 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -32.149 29.366 -28.025 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -33.262 28.571 -27.378 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -35.788 27.975 -32.460 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -35.037 27.819 -33.033 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -36.127 28.827 -32.736 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -30.056 28.579 -29.354 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -30.337 29.288 -29.932 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -29.113 28.506 -29.505 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -27.792 32.128 -27.462 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -28.658 32.023 -27.068 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -27.416 32.887 -27.015 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -26.491 30.385 -41.948 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -25.641 30.806 -41.820 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -26.486 29.645 -41.340 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -26.097 28.438 -40.124 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -26.823 27.959 -39.726 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -25.516 28.644 -39.392 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -28.310 26.959 -39.561 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -28.460 26.014 -39.581 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -28.664 27.240 -38.717 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -27.454 28.929 -29.922 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -26.871 28.195 -29.731 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -26.890 29.701 -29.876 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -25.957 26.832 -29.238 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -26.820 26.453 -29.403 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -25.353 26.093 -29.312 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -27.988 25.123 -35.663 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -27.055 25.335 -35.697 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -28.223 25.225 -34.740 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -27.959 25.860 -32.887 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -28.802 26.128 -32.521 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -27.516 26.682 -33.098 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -29.068 36.861 -39.450 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -28.415 36.514 -40.058 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -28.557 37.350 -38.804 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -38.729 34.765 -32.648 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -39.154 35.574 -32.931 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -37.824 34.850 -32.950 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -34.418 36.164 -29.689 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -34.233 35.830 -28.811 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -33.571 36.473 -30.011 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -37.234 35.824 -36.187 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -37.021 34.936 -36.474 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -37.169 35.790 -35.232 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -27.088 36.641 -41.442 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -27.282 35.893 -42.007 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -27.127 37.399 -42.026 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -32.570 36.577 -18.473 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -31.950 35.900 -18.746 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -32.778 36.359 -17.565 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -25.943 24.045 -13.484 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -26.632 24.703 -13.579 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -25.928 23.848 -12.547 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -32.523 31.879 -21.363 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -32.819 31.557 -22.214 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -32.847 32.779 -21.321 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -29.169 33.312 -16.337 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -30.111 33.370 -16.176 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -28.893 34.218 -16.474 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -30.917 35.093 -19.712 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -30.492 34.386 -20.197 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -30.600 35.894 -20.129 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -29.758 32.994 -21.203 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -30.015 32.304 -21.815 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -29.687 32.551 -20.358 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -28.072 31.560 -12.726 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -27.932 30.969 -13.465 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -27.904 32.433 -13.082 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -26.230 27.900 -14.660 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -26.882 28.595 -14.571 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -25.765 28.110 -15.470 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -30.296 26.906 -12.934 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -30.216 27.669 -12.362 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -30.897 27.185 -13.625 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -31.872 33.634 -15.752 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -32.113 34.296 -15.104 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -32.070 32.800 -15.327 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -33.596 34.631 -20.882 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -33.122 34.926 -20.104 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -34.159 35.369 -21.115 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -26.434 34.010 -26.127 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -26.361 34.949 -25.957 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -25.529 33.705 -26.184 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -34.124 37.587 -22.467 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -34.199 37.466 -23.413 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -34.091 38.537 -22.348 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -31.353 36.667 -22.715 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -32.288 36.767 -22.536 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -31.073 35.958 -22.137 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -28.365 25.734 -10.669 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -28.772 26.215 -11.389 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -28.324 24.829 -10.976 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.608 24.066 -12.448 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -31.122 23.940 -11.651 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -30.763 24.978 -12.693 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -29.845 28.927 -26.687 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -29.803 28.704 -27.617 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -28.996 29.325 -26.497 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -28.287 29.724 -14.811 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -27.645 30.181 -15.354 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -29.117 29.837 -15.273 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -33.311 32.050 -24.572 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -33.606 32.876 -24.190 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -34.014 31.430 -24.376 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -31.667 33.237 -12.410 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -32.568 33.420 -12.678 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -31.633 33.496 -11.489 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -27.640 34.268 -23.578 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -28.013 33.442 -23.268 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -27.363 34.085 -24.475 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -30.480 29.076 -16.556 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -31.408 28.844 -16.583 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -30.029 28.299 -16.886 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -30.248 32.244 -25.757 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -29.895 31.864 -24.953 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -31.197 32.151 -25.671 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -29.792 35.867 -12.362 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -30.394 35.312 -12.857 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -29.511 36.534 -12.988 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -25.744 36.724 -25.556 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -25.001 37.310 -25.696 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -26.439 37.292 -25.223 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -29.382 30.917 -23.531 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -29.659 30.189 -22.975 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.455 31.036 -23.325 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -36.157 33.356 -27.310 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -35.918 32.608 -27.858 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -36.426 32.968 -26.478 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -34.482 34.624 -24.105 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -35.299 35.121 -24.052 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -33.953 35.099 -24.745 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -28.211 23.114 -12.113 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -29.127 23.377 -12.201 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -27.875 23.111 -13.010 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -34.119 35.219 -27.172 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -34.763 34.588 -26.850 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -33.357 34.688 -27.404 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -31.634 34.091 -9.818 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -31.985 33.235 -9.575 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -30.908 34.234 -9.211 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -33.208 31.993 -27.345 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -33.476 32.173 -26.444 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -33.414 31.067 -27.476 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -30.511 30.488 -12.397 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -29.766 31.076 -12.517 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -31.268 31.070 -12.334 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -33.102 29.282 -9.141 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -32.149 29.366 -9.169 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -33.262 28.571 -8.522 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -26.950 29.516 -27.067 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -27.223 29.091 -27.880 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -26.910 30.447 -27.284 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -31.372 25.790 -8.576 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -31.180 24.859 -8.687 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -30.515 26.215 -8.586 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -30.056 28.579 -10.498 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -30.337 29.288 -11.076 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -29.113 28.506 -10.649 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -30.950 22.075 -8.768 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -31.047 21.123 -8.774 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -31.272 22.344 -7.907 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -36.442 37.852 -25.511 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -35.509 38.010 -25.367 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -36.706 38.527 -26.136 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -26.491 30.385 -23.092 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -25.641 30.806 -22.964 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -26.486 29.645 -22.484 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -26.338 31.223 -16.320 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -25.504 30.845 -16.601 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -26.226 32.166 -16.439 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -27.851 34.101 -14.013 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -28.499 34.426 -13.388 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -28.369 33.661 -14.688 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -27.959 25.860 -14.031 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -28.802 26.128 -13.665 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -27.516 26.682 -14.242 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -26.156 21.949 -10.328 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -27.073 22.220 -10.364 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -26.033 21.414 -11.112 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -29.068 36.861 -20.594 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -28.415 36.514 -21.202 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -28.557 37.350 -19.948 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -34.418 36.164 -10.833 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -34.233 35.830 -9.955 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -33.571 36.473 -11.155 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -32.073 37.449 -11.589 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -31.396 36.817 -11.829 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -31.751 37.851 -10.781 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -34.149 37.509 -15.539 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -34.606 38.038 -16.193 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -33.986 38.112 -14.814 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -31.822 36.387 -14.594 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -32.726 36.552 -14.860 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -31.393 37.240 -14.660 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -37.234 35.824 -17.331 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -37.021 34.936 -17.618 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.169 35.790 -16.376 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -33.797 37.078 -25.266 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.931 37.444 -25.444 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -34.044 36.638 -26.079 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -27.088 36.641 -22.586 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -27.282 35.893 -23.151 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -27.127 37.399 -23.170 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -32.320 29.278 -1.550 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -32.231 30.222 -1.682 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.959 29.003 -2.208 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -29.681 31.472 0.171 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -30.122 30.752 0.621 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -29.694 32.193 0.801 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -40.095 32.598 1.997 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -40.465 31.796 1.628 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -39.154 32.429 2.044 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -32.570 36.577 0.383 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -31.950 35.900 0.110 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -32.778 36.359 1.291 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -30.980 23.592 -1.724 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -30.334 23.263 -1.099 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -30.470 24.110 -2.347 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.926 27.408 -0.147 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -36.310 26.882 0.362 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -37.512 26.768 -0.551 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -32.523 31.879 -2.507 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -32.819 31.557 -3.358 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -32.847 32.779 -2.465 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -37.323 30.055 4.237 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -38.063 30.653 4.340 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -36.609 30.609 3.921 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -38.915 32.019 5.024 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -38.921 32.898 4.646 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -39.769 31.936 5.449 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -29.169 33.312 2.519 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -30.111 33.370 2.680 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -28.893 34.218 2.382 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -28.869 21.598 3.936 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -29.605 22.209 3.898 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -28.185 22.013 3.410 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -30.917 35.093 -0.856 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -30.492 34.386 -1.341 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -30.600 35.894 -1.273 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -29.758 32.994 -2.347 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -30.015 32.304 -2.959 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -29.687 32.551 -1.502 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -33.599 28.522 -4.098 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -34.311 29.057 -4.449 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -32.908 28.578 -4.758 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -33.545 26.980 -7.059 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -32.844 27.002 -6.408 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -33.243 26.352 -7.715 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.193 28.732 -3.146 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -30.925 28.960 -2.573 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -29.746 28.018 -2.691 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -38.548 29.362 -1.263 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -38.878 28.992 -2.082 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -37.960 28.692 -0.917 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -37.181 32.790 1.418 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -37.276 32.212 0.661 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -36.452 32.419 1.914 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -38.181 28.131 2.370 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -37.616 28.252 1.607 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -37.862 28.768 3.009 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -31.872 33.634 3.104 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -32.113 34.296 3.752 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -32.070 32.800 3.529 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -37.301 32.530 7.087 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -37.613 33.312 7.543 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -37.951 32.377 6.401 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -31.322 27.894 -5.461 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -30.743 28.044 -4.714 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -30.908 28.365 -6.184 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -40.381 28.728 6.316 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -40.311 29.379 7.014 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -41.272 28.831 5.981 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -33.596 34.631 -2.026 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -33.122 34.926 -1.248 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -34.159 35.369 -2.259 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -27.624 19.644 -5.648 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -28.523 19.783 -5.353 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -27.372 20.475 -6.050 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -34.538 33.815 6.583 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -34.451 34.641 7.058 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -35.402 33.485 6.832 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -34.124 37.587 -3.611 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -34.199 37.466 -4.557 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -34.091 38.537 -3.492 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -31.353 36.667 -3.859 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -32.288 36.767 -3.680 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -31.073 35.958 -3.281 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -30.608 24.066 6.408 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -31.122 23.940 7.205 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -30.763 24.978 6.163 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -38.506 25.554 3.275 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -39.148 25.513 3.984 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -38.469 26.480 3.037 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -32.973 26.191 -2.996 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -33.382 27.006 -3.288 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -32.253 26.051 -3.611 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -33.871 26.366 8.492 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -34.434 25.662 8.812 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -33.045 26.246 8.959 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -31.969 25.637 -0.182 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -32.164 26.242 -0.897 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -31.787 24.803 -0.617 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -35.927 23.202 -0.727 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -36.838 23.259 -0.438 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -35.422 23.142 0.084 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -31.522 22.437 2.537 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -32.199 22.568 3.201 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -32.008 22.282 1.727 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -28.235 38.109 8.814 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -28.035 38.533 7.979 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -27.579 38.452 9.421 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.607 25.990 1.160 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -34.043 25.443 0.613 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -34.755 25.468 1.949 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -35.981 24.378 3.574 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -36.816 24.832 3.684 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -35.457 24.654 4.326 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.539 23.405 -6.542 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -32.477 23.517 -6.693 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -31.242 24.262 -6.236 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -30.821 25.272 -4.881 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.929 25.135 -4.562 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -30.764 26.063 -5.418 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -33.311 32.050 -5.716 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -33.606 32.876 -5.334 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.014 31.430 -5.520 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -36.287 27.864 8.556 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -36.583 27.698 7.661 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -35.356 27.644 8.546 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -36.510 31.067 -1.991 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -36.751 31.992 -1.949 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -37.250 30.608 -1.595 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -35.995 35.216 4.324 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -35.632 36.071 4.091 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -35.463 34.924 5.065 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -30.248 32.244 -6.901 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -29.895 31.864 -6.097 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.197 32.151 -6.815 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -29.792 35.867 6.494 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -30.394 35.312 5.999 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -29.511 36.534 5.868 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -32.935 22.841 4.791 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -32.237 22.915 5.441 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -33.316 21.977 4.946 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -32.151 22.493 -4.112 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -31.931 22.965 -4.915 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -31.593 22.888 -3.441 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -34.482 34.624 -5.249 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -35.299 35.121 -5.196 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -33.953 35.099 -5.889 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -34.415 25.207 5.908 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -34.296 25.781 6.665 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -33.760 24.519 6.023 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -28.522 36.121 2.461 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -28.678 36.799 1.804 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -27.590 36.193 2.664 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -34.119 35.219 -8.316 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -34.763 34.588 -7.994 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -33.357 34.688 -8.548 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -31.634 34.091 9.038 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -31.985 33.235 9.281 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -30.908 34.234 9.645 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.246 30.572 9.076 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -36.574 30.843 8.218 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -36.094 29.631 8.988 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -33.208 31.993 -8.489 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -33.476 32.173 -7.588 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -33.414 31.067 -8.620 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -38.122 26.811 6.437 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -38.740 27.486 6.718 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -37.778 27.132 5.604 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -33.102 29.282 9.715 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -32.149 29.366 9.687 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -33.262 28.571 10.334 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -31.372 25.790 10.280 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -31.180 24.859 10.169 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -30.515 26.215 10.270 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -35.300 24.314 9.007 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -35.536 24.094 9.909 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -36.083 24.107 8.498 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -32.584 23.441 8.083 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -33.532 23.473 8.215 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -32.272 22.816 8.737 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -30.950 22.075 10.088 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -31.047 21.123 10.082 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -31.272 22.344 10.949 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -36.442 37.852 -6.655 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -35.509 38.010 -6.511 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -36.706 38.527 -7.280 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -25.806 36.771 2.690 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -25.828 36.956 3.629 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -25.116 37.340 2.349 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -26.243 36.338 5.612 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -26.730 35.603 5.241 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -25.694 35.945 6.290 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -27.851 34.101 4.843 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -28.499 34.426 5.468 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -28.369 33.661 4.168 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -28.232 22.987 -8.353 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -27.622 22.615 -7.716 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -29.069 22.565 -8.157 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -27.986 21.805 -3.338 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -27.804 21.356 -2.513 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -28.586 21.220 -3.802 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -26.120 21.872 -6.810 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -25.707 21.151 -7.286 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -25.438 22.542 -6.752 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -38.729 34.765 5.064 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -39.154 35.574 4.781 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -37.824 34.850 4.762 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -34.418 36.164 8.023 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -34.233 35.830 8.901 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -33.571 36.473 7.701 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -32.073 37.449 7.267 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -31.396 36.817 7.027 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -31.751 37.851 8.075 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -27.155 20.039 6.347 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -27.968 20.364 5.959 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -26.922 19.279 5.814 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -34.149 37.509 3.317 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -34.606 38.038 2.663 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -33.986 38.112 4.042 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -31.822 36.387 4.262 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -32.726 36.552 3.996 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -31.393 37.240 4.196 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -29.217 37.957 4.557 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -29.399 38.873 4.346 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -29.041 37.547 3.710 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -37.234 35.824 1.525 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -37.021 34.936 1.238 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -37.169 35.790 2.480 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -28.583 19.595 0.782 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -27.979 20.143 0.281 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -29.452 19.915 0.542 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -26.856 20.734 -0.884 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -26.244 20.220 -1.411 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -26.473 21.612 -0.861 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -31.262 20.079 -0.046 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -31.186 20.174 -0.995 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -31.538 19.171 0.083 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -29.909 20.105 -4.353 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -30.612 20.719 -4.563 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -30.354 19.267 -4.222 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -33.797 37.078 -6.410 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -32.931 37.444 -6.588 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -34.044 36.638 -7.223 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -31.046 19.319 9.727 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -30.970 18.893 10.581 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -30.153 19.333 9.385 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -29.681 31.472 19.027 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -30.122 30.752 19.477 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -29.694 32.193 19.657 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -26.335 22.567 21.992 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -26.286 23.177 22.728 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -25.909 23.028 21.269 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -30.980 23.592 17.132 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -30.334 23.263 17.757 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -30.470 24.110 16.509 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -25.943 24.045 24.228 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -26.632 24.703 24.133 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -25.928 23.848 25.165 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -29.216 22.883 19.113 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -29.431 22.117 19.645 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -28.560 23.355 19.626 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -29.758 32.994 16.509 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -30.015 32.304 15.897 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -29.687 32.551 17.354 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -33.545 26.980 11.797 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -32.844 27.002 12.448 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -33.243 26.352 11.141 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -30.193 28.732 15.710 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -30.925 28.960 16.283 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -29.746 28.018 16.165 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -31.322 27.894 13.395 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -30.743 28.044 14.142 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -30.908 28.365 12.672 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -31.022 36.741 12.248 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -30.647 35.997 11.777 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -31.018 36.471 13.166 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -29.845 28.927 11.025 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -29.803 28.704 10.095 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -28.996 29.325 11.215 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -34.272 22.803 11.695 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -34.526 22.822 12.618 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -34.529 21.931 11.394 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -32.973 26.191 15.860 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -33.382 27.006 15.568 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -32.253 26.051 15.245 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -31.539 23.405 12.314 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -32.477 23.517 12.163 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -31.242 24.262 12.620 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.821 25.272 13.975 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -29.929 25.135 14.294 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -30.764 26.063 13.438 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -33.311 32.050 13.140 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -33.606 32.876 13.522 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -34.014 31.430 13.336 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -27.640 34.268 14.134 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -28.013 33.442 14.444 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -27.363 34.085 13.237 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -30.248 32.244 11.955 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -29.895 31.864 12.759 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -31.197 32.151 12.041 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -25.744 36.724 12.156 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -25.001 37.310 12.016 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -26.439 37.292 12.489 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -29.382 30.917 14.181 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -29.659 30.189 14.737 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -28.455 31.036 14.387 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -36.157 33.356 10.402 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -35.918 32.608 9.854 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -36.426 32.968 11.234 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -32.151 22.493 14.744 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -31.931 22.965 13.941 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -31.593 22.888 15.415 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -29.609 26.865 19.695 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -30.406 26.450 19.366 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -29.164 26.174 20.186 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -34.119 35.219 10.540 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -34.763 34.588 10.862 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -33.357 34.688 10.308 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -29.515 35.036 10.774 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -29.232 34.242 11.227 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -28.775 35.269 10.213 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -33.208 31.993 10.367 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -33.476 32.173 11.268 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -33.414 31.067 10.236 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -36.340 27.161 11.200 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -36.520 27.007 10.272 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -35.389 27.269 11.244 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -28.310 26.959 17.007 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -28.460 26.014 16.987 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -28.664 27.240 17.851 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -28.600 24.542 15.469 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -28.320 23.635 15.594 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -27.841 24.976 15.080 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -27.988 25.123 20.905 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -27.055 25.335 20.871 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -28.223 25.225 21.828 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -26.856 20.734 17.972 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -26.244 20.220 17.445 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -26.473 21.612 17.995 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -29.909 20.105 14.503 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -30.612 20.719 14.293 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -30.354 19.267 14.634 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -27.088 36.641 15.126 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -27.282 35.893 14.561 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -27.127 37.399 14.542 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -33.387 47.389 -35.843 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -33.425 46.743 -35.138 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -33.710 46.923 -36.614 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -31.857 44.216 -35.109 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -31.714 43.269 -35.089 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -31.963 44.423 -36.038 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -29.216 41.739 -37.455 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -29.431 40.973 -36.923 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -28.560 42.211 -36.942 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -29.169 52.168 -35.193 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -30.111 52.226 -35.032 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -28.893 53.074 -35.330 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -35.866 38.541 -36.310 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -35.983 37.592 -36.364 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -36.721 38.873 -36.037 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -26.230 46.756 -33.516 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -26.882 47.451 -33.427 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -25.765 46.966 -34.326 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -31.872 52.490 -34.608 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -32.113 53.152 -33.960 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -32.070 51.656 -34.183 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -34.538 52.671 -31.129 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -34.451 53.497 -30.654 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -35.402 52.341 -30.880 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -33.934 39.166 -32.158 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -33.514 38.751 -31.405 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -34.867 38.988 -32.041 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -32.705 46.131 -33.223 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -32.381 45.500 -33.866 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -33.145 45.596 -32.562 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -31.522 41.293 -35.175 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -32.199 41.424 -34.511 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -32.008 41.138 -35.985 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -28.235 56.965 -28.898 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -28.035 57.389 -29.733 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -27.579 57.308 -28.291 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -35.981 43.234 -34.138 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -36.816 43.688 -34.028 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -35.457 43.510 -33.386 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -28.287 48.580 -33.667 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -27.645 49.037 -34.210 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -29.117 48.693 -34.129 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -33.917 49.631 -31.216 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -34.263 49.250 -30.410 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -34.117 50.565 -31.145 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -36.287 46.720 -29.156 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -36.583 46.554 -30.051 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -35.356 46.500 -29.166 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -30.480 47.932 -35.412 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -31.408 47.700 -35.439 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -30.029 47.155 -35.742 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -32.451 50.171 -33.687 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -32.877 49.944 -32.861 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -31.870 49.433 -33.870 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -29.792 54.723 -31.218 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -30.394 54.168 -31.713 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -29.511 55.390 -31.844 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -32.935 41.697 -32.921 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.237 41.771 -32.271 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -33.316 40.833 -32.766 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -28.522 54.977 -35.251 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -28.678 55.655 -35.908 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -27.590 55.049 -35.048 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -36.246 49.428 -28.636 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -36.574 49.699 -29.494 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -36.094 48.487 -28.724 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -38.122 45.667 -31.275 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -38.740 46.342 -30.994 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -37.778 45.988 -32.108 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -37.782 43.022 -30.192 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -37.632 42.293 -30.795 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -37.780 43.799 -30.751 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -37.370 41.392 -32.700 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -36.834 41.843 -33.352 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -38.222 41.284 -33.122 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -35.788 46.831 -32.460 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -35.037 46.675 -33.033 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -36.127 47.683 -32.736 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -39.304 44.220 -28.281 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -40.071 43.688 -28.491 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -38.625 43.910 -28.880 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -36.564 38.848 -32.268 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -36.662 39.795 -32.374 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -37.307 38.476 -32.744 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -36.342 38.142 -29.597 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -35.630 37.502 -29.611 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -36.443 38.409 -30.511 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -35.989 39.825 -27.543 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -36.120 39.349 -28.364 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -36.588 40.569 -27.599 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -26.243 55.194 -32.100 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -26.730 54.459 -32.471 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -25.694 54.801 -31.422 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -26.338 50.079 -35.176 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -25.504 49.701 -35.457 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -26.226 51.022 -35.295 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -27.851 52.957 -32.869 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -28.499 53.282 -32.244 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -28.369 52.517 -33.544 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -27.988 43.979 -35.663 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -27.055 44.191 -35.697 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -28.223 44.081 -34.740 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -27.959 44.716 -32.887 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -28.802 44.984 -32.521 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -27.516 45.538 -33.098 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.986 40.661 -41.050 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.804 40.212 -40.225 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -28.586 40.076 -41.514 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -34.418 55.020 -29.689 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -34.233 54.686 -28.811 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -33.571 55.329 -30.011 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -32.073 56.305 -30.445 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -31.396 55.673 -30.685 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -31.751 56.707 -29.637 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -31.822 55.243 -33.450 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -32.726 55.408 -33.716 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -31.393 56.096 -33.516 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -29.217 56.813 -33.155 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -29.399 57.729 -33.366 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -29.041 56.403 -34.002 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -33.725 40.344 -37.042 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -34.400 39.715 -36.787 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -33.161 39.860 -37.645 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -26.856 39.590 -38.596 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -26.244 39.076 -39.123 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -26.473 40.468 -38.573 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -31.262 38.935 -37.758 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -31.186 39.030 -38.707 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -31.538 38.027 -37.629 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -29.909 38.961 -42.065 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -30.612 39.575 -42.275 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -30.354 38.123 -41.934 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -39.468 38.843 -28.167 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -38.569 38.569 -28.352 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -39.854 38.100 -27.703 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -40.095 51.454 -16.859 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -40.465 50.652 -17.228 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -39.154 51.285 -16.812 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -32.570 55.433 -18.473 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -31.950 54.756 -18.746 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -32.778 55.215 -17.565 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -38.702 42.317 -18.981 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -38.659 43.177 -19.399 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -39.160 41.765 -19.614 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -36.926 46.264 -19.003 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -36.310 45.738 -18.494 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -37.512 45.624 -19.407 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -37.323 48.911 -14.619 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -38.063 49.509 -14.516 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -36.609 49.465 -14.935 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -38.915 50.875 -13.832 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -38.921 51.754 -14.210 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -39.769 50.792 -13.407 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -35.866 38.541 -17.454 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -35.983 37.592 -17.508 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -36.721 38.873 -17.181 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.917 53.949 -19.712 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -30.492 53.242 -20.197 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -30.600 54.750 -20.129 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -33.599 47.378 -22.954 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -34.311 47.913 -23.305 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -32.908 47.434 -23.614 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -38.548 48.218 -20.119 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -38.878 47.848 -20.938 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -37.960 47.548 -19.773 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -37.181 51.646 -17.438 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -37.276 51.068 -18.195 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -36.452 51.275 -16.942 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -38.181 46.987 -16.486 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -37.616 47.108 -17.249 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -37.862 47.624 -15.847 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -37.301 51.386 -11.769 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -37.613 52.168 -11.313 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -37.951 51.233 -12.455 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -33.596 53.487 -20.882 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -33.122 53.782 -20.104 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -34.159 54.225 -21.115 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -39.558 47.288 -22.530 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -39.850 48.056 -23.021 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -40.232 46.628 -22.693 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -25.517 53.097 -11.149 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -25.566 52.142 -11.186 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -26.343 53.365 -10.747 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -34.538 52.671 -12.273 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -34.451 53.497 -11.798 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -35.402 52.341 -12.024 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -34.124 56.443 -22.467 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -34.199 56.322 -23.413 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -34.091 57.393 -22.348 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -31.022 55.597 -25.464 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -30.647 54.853 -25.935 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -31.018 55.327 -24.546 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -31.353 55.523 -22.715 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -32.288 55.623 -22.536 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -31.073 54.814 -22.137 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -38.597 39.444 -16.676 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -39.458 39.357 -17.084 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -38.619 40.300 -16.249 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -33.934 39.166 -13.302 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -33.514 38.751 -12.549 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -34.867 38.988 -13.185 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -38.506 44.410 -15.581 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -39.148 44.369 -14.872 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -38.469 45.336 -15.819 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -38.509 44.631 -20.669 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -39.402 44.290 -20.728 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -38.058 44.254 -21.425 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -33.871 45.222 -10.364 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -34.434 44.518 -10.044 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -33.045 45.102 -9.897 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -37.390 42.104 -26.916 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -37.821 41.659 -26.186 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -38.108 42.476 -27.428 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -37.446 43.687 -23.100 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -36.514 43.816 -22.922 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -37.661 44.357 -23.749 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -38.772 44.882 -25.533 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -39.314 44.502 -26.224 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -37.938 45.076 -25.962 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -39.605 40.982 -21.278 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -39.922 40.080 -21.313 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -38.824 40.984 -21.830 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -35.981 43.234 -15.282 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -36.816 43.688 -15.172 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -35.457 43.510 -14.530 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -35.437 49.447 -23.597 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -36.181 48.940 -23.920 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -35.571 49.496 -22.651 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -33.917 49.631 -12.360 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -34.263 49.250 -11.554 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -34.117 50.565 -12.289 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -40.312 48.742 -17.828 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -39.567 48.740 -18.429 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -40.234 47.918 -17.346 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -33.311 50.906 -24.572 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -33.606 51.732 -24.190 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -34.014 50.286 -24.376 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -36.287 46.720 -10.300 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -36.583 46.554 -11.195 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -35.356 46.500 -10.310 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -31.667 52.093 -12.410 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -32.568 52.276 -12.678 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -31.633 52.352 -11.489 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -37.937 52.260 -20.423 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -37.410 53.033 -20.624 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -38.817 52.485 -20.725 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -36.510 49.923 -20.847 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -36.751 50.848 -20.805 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -37.250 49.464 -20.451 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -35.995 54.072 -14.532 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -35.632 54.927 -14.765 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -35.463 53.780 -13.791 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -29.792 54.723 -12.362 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -30.394 54.168 -12.857 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -29.511 55.390 -12.988 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -25.744 55.580 -25.556 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -25.001 56.166 -25.696 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -26.439 56.148 -25.223 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -36.157 52.212 -27.310 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -35.918 51.464 -27.858 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -36.426 51.824 -26.478 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -32.935 41.697 -14.065 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -32.237 41.771 -13.415 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -33.316 40.833 -13.910 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -34.482 53.480 -24.105 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -35.299 53.977 -24.052 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -33.953 53.955 -24.745 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -34.951 43.077 -22.133 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -34.139 43.581 -22.087 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -35.196 42.932 -21.219 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -34.415 44.063 -12.948 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -34.296 44.637 -12.191 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -33.760 43.375 -12.833 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -38.410 41.221 -24.507 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -38.493 42.110 -24.161 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -37.520 40.956 -24.276 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -28.522 54.977 -16.395 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -28.678 55.655 -17.052 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -27.590 55.049 -16.192 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -34.119 54.075 -27.172 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -34.763 53.444 -26.850 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -33.357 53.544 -27.404 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -31.634 52.947 -9.818 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -31.985 52.091 -9.575 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -30.908 53.090 -9.211 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -36.246 49.428 -9.780 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -36.574 49.699 -10.638 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -36.094 48.487 -9.868 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -33.208 50.849 -27.345 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -33.476 51.029 -26.444 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -33.414 49.923 -27.476 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -37.411 47.774 -24.775 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -37.870 47.290 -24.089 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -37.156 47.106 -25.411 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -38.122 45.667 -12.419 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -38.740 46.342 -12.138 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -37.778 45.988 -13.252 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -36.340 46.017 -26.512 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -36.520 45.863 -27.440 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -35.389 46.125 -26.468 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -33.102 48.138 -9.141 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -32.149 48.222 -9.169 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -33.262 47.427 -8.522 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -37.782 43.022 -11.336 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -37.632 42.293 -11.939 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -37.780 43.799 -11.895 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -37.370 41.392 -13.844 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -36.834 41.843 -14.496 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -38.222 41.284 -14.266 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -35.788 46.831 -13.604 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -35.037 46.675 -14.177 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -36.127 47.683 -13.880 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -36.564 38.848 -13.412 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -36.662 39.795 -13.518 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -37.307 38.476 -13.888 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -35.300 43.170 -9.849 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -35.536 42.950 -8.947 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -36.083 42.963 -10.358 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -36.342 38.142 -10.741 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -35.630 37.502 -10.755 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -36.443 38.409 -11.655 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -35.989 39.825 -8.687 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -36.120 39.349 -9.508 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -36.588 40.569 -8.743 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -25.806 55.627 -16.166 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -25.828 55.812 -15.227 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -25.116 56.196 -16.507 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -26.243 55.194 -13.244 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -26.730 54.459 -13.615 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -25.694 54.801 -12.566 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -27.851 52.957 -14.013 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -28.499 53.282 -13.388 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -28.369 52.517 -14.688 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -29.068 55.717 -20.594 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -28.415 55.370 -21.202 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -28.557 56.206 -19.948 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -34.149 56.365 -15.539 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -34.606 56.894 -16.193 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -33.986 56.968 -14.814 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -31.822 55.243 -14.594 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -32.726 55.408 -14.860 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -31.393 56.096 -14.660 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -37.234 54.680 -17.331 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -37.021 53.792 -17.618 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -37.169 54.646 -16.376 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -36.819 38.905 -20.551 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -35.945 39.293 -20.581 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -36.955 38.690 -19.628 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -29.909 38.961 -23.209 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -30.612 39.575 -23.419 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -30.354 38.123 -23.078 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -35.675 40.985 -23.661 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -35.497 40.339 -22.978 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -35.729 41.819 -23.194 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -33.797 55.934 -25.266 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -32.931 56.300 -25.444 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -34.044 55.494 -26.079 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -27.088 55.497 -22.586 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -27.282 54.749 -23.151 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -27.127 56.255 -23.170 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -27.870 54.248 -10.436 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -28.652 54.062 -10.956 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -27.942 55.177 -10.219 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -32.320 48.134 -1.550 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -32.231 49.078 -1.682 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -32.959 47.859 -2.208 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -33.387 47.389 1.869 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -33.425 46.743 2.574 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -33.710 46.923 1.098 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -29.681 50.328 0.171 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -30.122 49.608 0.621 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -29.694 51.049 0.801 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -26.335 41.423 3.136 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -26.286 42.033 3.872 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -25.909 41.884 2.413 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -31.857 44.216 2.603 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -31.714 43.269 2.623 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -31.963 44.423 1.674 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -25.943 42.901 5.372 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -26.632 43.559 5.277 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -25.928 42.704 6.309 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -32.523 50.735 -2.507 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -32.819 50.413 -3.358 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -32.847 51.635 -2.465 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -35.866 38.541 1.402 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -35.983 37.592 1.348 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -36.721 38.873 1.675 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -29.758 51.850 -2.347 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -30.015 51.160 -2.959 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -29.687 51.407 -1.502 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -33.599 47.378 -4.098 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -34.311 47.913 -4.449 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -32.908 47.434 -4.758 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -33.545 45.836 -7.059 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -32.844 45.858 -6.408 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -33.243 45.208 -7.715 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -26.230 46.756 4.196 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -26.882 47.451 4.285 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -25.765 46.966 3.386 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -30.296 45.762 5.922 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -30.216 46.525 6.494 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -30.897 46.041 5.231 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -26.434 52.866 -7.271 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -26.361 53.805 -7.101 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -25.529 52.561 -7.328 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -33.934 39.166 5.554 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -33.514 38.751 6.307 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -34.867 38.988 5.671 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -30.608 42.922 6.408 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -31.122 42.796 7.205 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -30.763 43.834 6.163 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -34.272 41.659 -7.161 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -34.526 41.678 -6.238 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -34.529 40.787 -7.462 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -32.973 45.047 -2.996 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -33.382 45.862 -3.288 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -32.253 44.907 -3.611 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -31.969 44.493 -0.182 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -32.164 45.098 -0.897 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -31.787 43.659 -0.617 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -37.390 42.104 -8.060 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -37.821 41.659 -7.330 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -38.108 42.476 -8.572 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -32.705 46.131 4.489 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -32.381 45.500 3.846 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -33.145 45.596 5.150 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -35.927 42.058 -0.727 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -36.838 42.115 -0.438 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -35.422 41.998 0.084 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -34.607 44.846 1.160 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -34.043 44.299 0.613 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -34.755 44.324 1.949 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -35.981 43.234 3.574 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -36.816 43.688 3.684 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -35.457 43.510 4.326 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -35.437 49.447 -4.741 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -36.181 48.940 -5.064 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -35.571 49.496 -3.795 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -28.287 48.580 4.045 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -27.645 49.037 3.502 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -29.117 48.693 3.583 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -33.311 50.906 -5.716 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -33.606 51.732 -5.334 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -34.014 50.286 -5.520 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -27.640 53.124 -4.722 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -28.013 52.298 -4.412 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -27.363 52.941 -5.619 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -30.480 47.932 2.300 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -31.408 47.700 2.273 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -30.029 47.155 1.970 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -30.248 51.100 -6.901 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -29.895 50.720 -6.097 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -31.197 51.007 -6.815 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -25.744 55.580 -6.700 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -25.001 56.166 -6.840 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -26.439 56.148 -6.367 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -32.935 41.697 4.791 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -32.237 41.771 5.441 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -33.316 40.833 4.946 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -32.151 41.349 -4.112 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -31.931 41.821 -4.915 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -31.593 41.744 -3.441 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -34.951 43.077 -3.277 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -34.139 43.581 -3.231 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -35.196 42.932 -2.363 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -34.415 44.063 5.908 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -34.296 44.637 6.665 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -33.760 43.375 6.023 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -34.067 40.158 -2.339 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -34.414 40.776 -1.694 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -33.409 40.659 -2.820 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -28.211 41.970 6.743 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -29.127 42.233 6.655 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -27.875 41.967 5.846 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -29.609 45.721 0.839 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -30.406 45.306 0.510 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -29.164 45.030 1.330 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -29.515 53.892 -8.082 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -29.232 53.098 -7.629 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -28.775 54.125 -8.643 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -33.208 50.849 -8.489 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -33.476 51.029 -7.588 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -33.414 49.923 -8.620 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -36.340 46.017 -7.656 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -36.520 45.863 -8.584 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -35.389 46.125 -7.612 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -36.564 38.848 5.444 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -36.662 39.795 5.338 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -37.307 38.476 4.968 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -32.584 42.297 8.083 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -33.532 42.329 8.215 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -32.272 41.672 8.737 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -26.338 50.079 2.536 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -25.504 49.701 2.255 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -26.226 51.022 2.417 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -27.988 43.979 2.049 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -27.055 44.191 2.015 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -28.223 44.081 2.972 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -27.959 44.716 4.825 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -28.802 44.984 5.191 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -27.516 45.538 4.614 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -25.676 38.696 10.179 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -25.326 38.042 9.573 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -25.529 39.533 9.739 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -26.156 40.805 8.528 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -27.073 41.076 8.492 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -26.033 40.270 7.744 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -27.155 38.895 6.347 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -27.968 39.220 5.959 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -26.922 38.135 5.814 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -36.819 38.905 -1.695 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -35.945 39.293 -1.725 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -36.955 38.690 -0.772 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -35.675 40.985 -4.805 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -35.497 40.339 -4.122 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -35.729 41.819 -4.338 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -27.624 38.500 13.208 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -28.523 38.639 13.503 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -27.372 39.331 12.806 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -25.676 57.552 -27.533 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -25.326 56.898 -28.139 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -25.529 58.389 -27.973 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -27.155 57.751 -31.365 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -27.968 58.076 -31.753 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -26.922 56.991 -31.898 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -31.046 57.031 -27.985 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -30.970 56.605 -27.131 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -30.153 57.045 -28.327 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -27.624 57.356 -24.504 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -28.523 57.495 -24.209 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -27.372 58.187 -24.906 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -28.583 57.307 -18.074 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -27.979 57.855 -18.575 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -29.452 57.627 -18.314 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -31.262 57.791 -18.902 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -31.186 57.886 -19.851 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -31.538 56.883 -18.773 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -29.909 57.817 -23.209 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -30.612 58.431 -23.419 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -30.354 56.979 -23.078 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -6.888 -19.844 12.156 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -6.145 -19.258 12.016 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -7.583 -19.276 12.489 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -7.087 -13.667 5.372 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -7.776 -13.009 5.277 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -7.072 -13.864 6.309 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -6.661 -3.471 7.707 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -6.710 -4.426 7.670 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -7.487 -3.203 8.109 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -9.509 -11.978 8.187 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -9.916 -11.497 7.467 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -9.468 -12.883 7.880 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -9.379 0.397 8.814 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -9.179 0.821 7.979 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -8.723 0.740 9.421 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -7.116 -6.430 7.650 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -7.968 -6.192 7.283 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -6.526 -6.447 6.897 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -9.355 -14.598 6.743 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -10.271 -14.335 6.655 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -9.019 -14.601 5.846 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -12.778 -3.621 9.038 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -13.129 -4.477 9.281 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -12.052 -3.478 9.645 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -7.387 -1.374 5.612 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -7.874 -2.109 5.241 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -6.838 -1.767 6.290 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -8.936 -5.584 10.250 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -9.802 -5.689 10.644 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -8.560 -4.825 10.697 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -8.598 -8.783 7.790 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -8.015 -9.517 7.981 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -8.034 -8.011 7.836 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -7.101 -10.880 8.474 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -7.964 -11.259 8.309 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -6.497 -11.619 8.400 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -6.820 -17.872 10.179 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -6.470 -18.526 9.573 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -6.673 -17.035 9.739 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -7.300 -15.763 8.528 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -8.217 -15.492 8.492 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -7.177 -16.298 7.744 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -9.014 -2.320 8.420 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -9.796 -2.506 7.900 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -9.086 -1.391 8.637 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -10.825 -6.240 19.027 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -11.266 -6.960 19.477 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -10.838 -5.519 19.657 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -13.714 -1.135 19.239 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -13.094 -1.812 18.966 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -13.922 -1.353 20.147 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -7.479 -15.145 21.992 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -7.430 -14.535 22.728 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -7.053 -14.684 21.269 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -7.087 -13.667 24.228 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -7.776 -13.009 24.133 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -7.072 -13.864 25.165 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -13.667 -5.833 16.349 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -13.963 -6.155 15.498 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -13.991 -4.933 16.391 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -10.313 -4.400 21.375 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -11.255 -4.342 21.536 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -10.037 -3.494 21.238 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -12.061 -2.619 18.000 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -11.636 -3.326 17.515 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -11.744 -1.818 17.583 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -7.374 -9.812 23.052 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -8.026 -9.117 23.141 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -6.909 -9.602 22.242 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -11.337 -8.980 15.710 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -12.069 -8.752 16.283 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -10.890 -9.694 16.165 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -14.740 -3.081 16.830 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -14.266 -2.786 17.608 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -15.303 -2.343 16.597 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -8.768 -18.068 13.208 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -9.667 -17.929 13.503 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -8.516 -17.237 12.806 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -15.268 -0.125 15.245 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -15.343 -0.246 14.299 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -15.235 0.825 15.364 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -12.166 -0.971 12.248 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -11.791 -1.715 11.777 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -12.162 -1.241 13.166 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -10.989 -8.785 11.025 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -10.947 -9.008 10.095 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -10.140 -8.387 11.215 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -9.431 -7.988 22.901 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -8.789 -7.531 22.358 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -10.261 -7.875 22.439 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -11.965 -12.440 13.975 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -11.073 -12.577 14.294 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -11.908 -11.649 13.438 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -14.455 -5.662 13.140 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -14.750 -4.836 13.522 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -15.158 -6.282 13.336 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -18.970 -1.623 16.410 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -19.920 -1.518 16.462 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -18.619 -0.803 16.755 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -11.392 -5.468 11.955 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -11.039 -5.848 12.759 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -12.341 -5.561 12.041 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -10.526 -6.795 14.181 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -10.803 -7.523 14.737 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -9.599 -6.676 14.387 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -15.626 -3.088 13.607 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -16.443 -2.591 13.660 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -15.097 -2.613 12.967 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -18.288 -2.045 13.589 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -18.127 -1.245 13.088 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -18.485 -1.738 14.474 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -10.753 -10.847 19.695 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -11.550 -11.262 19.366 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -10.308 -11.538 20.186 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -9.666 -1.591 21.317 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -9.822 -0.913 20.660 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -8.734 -1.519 21.520 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -15.263 -2.493 10.540 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -15.907 -3.124 10.862 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -14.501 -3.024 10.308 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -10.659 -2.676 10.774 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -10.376 -3.470 11.227 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -9.919 -2.443 10.213 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -14.352 -5.719 10.367 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -14.620 -5.539 11.268 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -14.558 -6.645 10.236 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -8.094 -8.196 10.645 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -8.367 -8.621 9.832 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -8.054 -7.265 10.428 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -17.586 0.140 12.201 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -16.653 0.298 12.345 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -17.850 0.815 11.576 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -6.950 -0.941 21.546 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -6.972 -0.756 22.485 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -6.260 -0.372 21.205 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -7.387 -1.374 24.468 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -7.874 -2.109 24.097 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -6.838 -1.767 25.146 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -7.482 -6.489 21.392 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -6.648 -6.867 21.111 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -7.370 -5.546 21.273 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -8.624 -12.133 11.386 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -8.527 -11.466 10.706 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -8.764 -12.949 10.904 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -9.454 -10.753 17.007 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -9.604 -11.698 16.987 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -9.808 -10.472 17.851 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -7.101 -10.880 27.330 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -7.964 -11.259 27.165 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -6.497 -11.619 27.256 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -9.376 -14.725 10.503 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -8.766 -15.097 11.140 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -10.213 -15.147 10.699 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -9.744 -13.170 15.469 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -9.464 -14.077 15.594 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -8.985 -12.736 15.080 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -9.132 -12.589 20.905 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -8.199 -12.377 20.871 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -9.367 -12.487 21.828 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -9.103 -11.852 23.681 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -9.946 -11.584 24.047 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -8.660 -11.030 23.470 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -9.130 -15.907 15.518 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -8.948 -16.356 16.343 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -9.730 -16.492 15.054 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -7.264 -15.840 12.046 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -6.851 -16.561 11.570 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -6.582 -15.170 12.104 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -15.293 -0.203 22.173 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -15.750 0.326 21.519 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -15.130 0.400 22.898 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -8.000 -16.978 17.972 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -7.388 -17.492 17.445 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -7.617 -16.100 17.995 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -14.941 -0.634 12.446 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -14.075 -0.268 12.268 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -15.188 -1.074 11.633 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -9.216 12.704 -12.726 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -9.076 12.113 -13.465 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -9.048 13.577 -13.082 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -13.016 14.778 -15.752 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -13.257 15.440 -15.104 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -13.214 13.944 -15.327 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -6.661 15.385 -11.149 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -6.710 14.430 -11.186 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -7.487 15.653 -10.747 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -15.682 14.959 -12.273 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -15.595 15.785 -11.798 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -16.546 14.629 -12.024 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -12.811 14.381 -12.410 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -13.712 14.564 -12.678 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -12.777 14.640 -11.489 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -7.116 12.426 -11.206 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -7.968 12.664 -11.573 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -6.526 12.409 -11.959 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -9.666 17.265 -16.395 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -9.822 17.943 -17.052 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -8.734 17.337 -16.192 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -19.355 16.855 -8.547 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -18.587 16.396 -8.206 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -19.376 16.629 -9.477 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -11.655 11.632 -12.397 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -10.910 12.220 -12.517 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -12.412 12.214 -12.334 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -6.950 17.915 -16.166 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -6.972 18.100 -15.227 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -6.260 18.484 -16.507 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -7.387 17.482 -13.244 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -7.874 16.747 -13.615 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -6.838 17.089 -12.566 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -8.936 13.272 -8.606 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -9.802 13.167 -8.212 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -8.560 14.031 -8.159 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -8.995 15.245 -14.013 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -9.643 15.570 -13.388 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -9.513 14.805 -14.688 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -15.562 17.308 -10.833 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -15.377 16.974 -9.955 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -14.715 17.617 -11.155 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -15.293 18.653 -15.539 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -15.750 19.182 -16.193 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -15.130 19.256 -14.814 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -12.966 17.531 -14.594 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -13.870 17.696 -14.860 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -12.537 18.384 -14.660 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -10.361 19.101 -14.299 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -10.543 20.017 -14.510 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -10.185 18.691 -15.146 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -13.464 10.422 -1.550 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -13.375 11.366 -1.682 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -14.103 10.147 -2.208 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -10.825 12.616 0.171 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -11.266 11.896 0.621 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -10.838 13.337 0.801 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -21.239 13.742 1.997 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -21.609 12.940 1.628 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -20.298 13.573 2.044 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -16.142 12.110 2.275 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -15.838 11.424 1.681 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -15.420 12.228 2.893 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -7.087 5.189 5.372 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -7.776 5.847 5.277 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -7.072 4.992 6.309 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -13.667 13.023 -2.507 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -13.963 12.701 -3.358 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -13.991 13.923 -2.465 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -18.467 11.199 4.237 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -19.207 11.797 4.340 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -17.753 11.753 3.921 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -20.059 13.163 5.024 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -20.065 14.042 4.646 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -20.913 13.080 5.449 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -10.313 14.456 2.519 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -11.255 14.514 2.680 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -10.037 15.362 2.382 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -9.216 12.704 6.130 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -9.076 12.113 5.391 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -9.048 13.577 5.774 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -14.743 9.666 -4.098 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -15.455 10.201 -4.449 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -14.052 9.722 -4.758 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -11.440 8.050 5.922 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -11.360 8.813 6.494 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -12.041 8.329 5.231 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -19.692 10.506 -1.263 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -20.022 10.136 -2.082 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -19.104 9.836 -0.917 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -18.325 13.934 1.418 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -18.420 13.356 0.661 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -17.596 13.563 1.914 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -13.016 14.778 3.104 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -13.257 15.440 3.752 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -13.214 13.944 3.529 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -18.445 13.674 7.087 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -18.757 14.456 7.543 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -19.095 13.521 6.401 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -20.206 15.746 7.851 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -20.198 15.610 6.903 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -21.122 15.628 8.103 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -24.858 14.719 2.025 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -23.912 14.575 2.006 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -24.971 15.503 2.562 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -6.661 15.385 7.707 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -6.710 14.430 7.670 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -7.487 15.653 8.109 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -15.682 14.959 6.583 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -15.595 15.785 7.058 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -16.546 14.629 6.832 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.614 17.520 -1.830 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -21.462 17.172 -0.951 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -22.465 17.164 -2.085 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -9.509 6.878 8.187 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -9.916 7.359 7.467 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -9.468 5.973 7.880 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -22.360 13.262 6.184 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -22.143 12.901 7.044 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -23.215 12.888 5.974 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -11.752 5.210 6.408 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -12.266 5.084 7.205 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -11.907 6.122 6.163 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -10.989 10.071 -7.831 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -10.947 9.848 -8.761 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -10.140 10.469 -7.641 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -15.015 7.510 8.492 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -15.578 6.806 8.812 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -14.189 7.390 8.959 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -16.581 11.735 -4.741 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -17.325 11.228 -5.064 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -16.715 11.784 -3.795 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -15.061 11.919 6.496 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -15.407 11.538 7.302 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -15.261 12.853 6.567 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -14.455 13.194 -5.716 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -14.750 14.020 -5.334 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -15.158 12.574 -5.520 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -17.431 9.008 8.556 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -17.727 8.842 7.661 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.500 8.788 8.546 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -12.811 14.381 6.446 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -13.712 14.564 6.178 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -12.777 14.640 7.367 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -19.081 14.548 -1.567 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -18.554 15.321 -1.768 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -19.961 14.773 -1.869 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -17.654 12.211 -1.991 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -17.895 13.136 -1.949 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -18.394 11.752 -1.595 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -13.595 12.459 4.025 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -14.021 12.232 4.851 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -13.014 11.721 3.842 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -11.392 13.388 -6.901 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -11.039 13.008 -6.097 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -12.341 13.295 -6.815 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -10.526 12.061 -4.675 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -10.803 11.333 -4.119 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -9.599 12.180 -4.469 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -23.163 16.049 4.336 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -22.946 15.117 4.305 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -22.916 16.323 5.220 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -17.301 14.500 -8.454 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -17.062 13.752 -9.002 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -17.570 14.112 -7.622 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -18.364 14.070 -5.998 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -18.217 13.550 -5.208 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -18.367 14.977 -5.692 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -9.355 4.258 6.743 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -10.271 4.521 6.655 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -9.019 4.255 5.846 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -21.295 13.937 -6.591 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -20.703 14.636 -6.315 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -20.836 13.504 -7.310 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -23.241 15.323 -2.641 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -24.073 15.796 -2.614 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -22.695 15.833 -3.240 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -23.952 17.936 8.689 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -23.412 17.719 9.448 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -24.433 17.130 8.499 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -19.355 16.855 10.309 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -18.587 16.396 10.650 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -19.376 16.629 9.379 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -19.704 12.090 -8.225 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -19.640 11.296 -7.694 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -19.051 11.971 -8.914 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -17.390 11.716 9.076 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -17.718 11.987 8.218 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -17.238 10.775 8.988 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -14.352 13.137 -8.489 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -14.620 13.317 -7.588 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -14.558 12.211 -8.620 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -11.655 11.632 6.459 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -10.910 12.220 6.339 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -12.412 12.214 6.522 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -18.555 10.062 -5.919 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -19.014 9.578 -5.233 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -18.300 9.394 -6.555 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -14.246 10.426 9.715 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -13.293 10.510 9.687 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -14.406 9.715 10.334 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -8.094 10.660 -8.211 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -8.367 10.235 -9.024 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -8.054 11.591 -8.428 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -11.200 9.723 8.358 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -11.481 10.432 7.780 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -10.257 9.650 8.207 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -16.444 5.458 9.007 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -16.680 5.238 9.909 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -17.227 5.251 8.498 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -13.728 4.585 8.083 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -14.676 4.617 8.215 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -13.416 3.960 8.737 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -12.094 3.219 10.088 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -12.191 2.267 10.082 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -12.416 3.488 10.949 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -17.133 2.113 10.169 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -17.264 1.637 9.348 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -17.732 2.857 10.113 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -25.369 19.025 -2.095 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -26.016 18.563 -2.628 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -25.014 18.353 -1.512 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -24.499 17.106 -0.290 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -24.833 16.225 -0.118 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -24.277 17.451 0.574 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -6.950 17.915 2.690 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -6.972 18.100 3.629 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -6.260 18.484 2.349 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -7.387 17.482 5.612 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -7.874 16.747 5.241 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -6.838 17.089 6.290 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -8.936 13.272 10.250 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -9.802 13.167 10.644 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -8.560 14.031 10.697 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -7.635 11.529 -4.236 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -6.785 11.950 -4.108 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -7.630 10.789 -3.628 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -7.482 12.367 2.536 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -6.648 11.989 2.255 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -7.370 13.310 2.417 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -8.995 15.245 4.843 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -9.643 15.570 5.468 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -9.513 14.805 4.168 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -8.598 10.073 7.790 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -8.015 9.339 7.981 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -8.034 10.845 7.836 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -7.101 7.976 8.474 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -7.964 7.597 8.309 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -6.497 7.237 8.400 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -7.300 3.093 8.528 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -8.217 3.364 8.492 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -7.177 2.558 7.744 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -22.827 14.934 8.805 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -23.648 15.109 8.345 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -23.079 14.861 9.726 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -8.299 1.183 6.347 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -9.112 1.508 5.959 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -8.066 0.423 5.814 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -23.056 17.788 2.022 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -23.075 17.363 2.879 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -22.251 17.470 1.613 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -20.915 16.498 0.677 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -21.134 15.582 0.846 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -20.091 16.638 1.143 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -23.805 17.012 -4.807 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -24.490 16.974 -5.475 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -23.802 17.925 -4.519 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -21.987 17.932 -7.782 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -22.255 18.219 -6.909 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -21.216 17.386 -7.630 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -12.190 0.463 9.727 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -12.114 0.037 10.581 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -11.297 0.477 9.385 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -9.014 16.536 8.420 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -9.796 16.350 7.900 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -9.086 17.465 8.637 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -14.531 9.677 20.725 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -14.569 9.031 21.430 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -14.854 9.211 19.954 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -21.239 13.742 20.853 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -21.609 12.940 20.484 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -20.298 13.573 20.900 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -7.479 3.711 21.992 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -7.430 4.321 22.728 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -7.053 4.172 21.269 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -13.001 6.504 21.459 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -12.858 5.557 21.479 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -13.107 6.711 20.530 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -19.846 4.605 18.731 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -19.803 5.465 18.313 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -20.304 4.053 18.098 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -18.070 8.552 18.709 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -17.454 8.026 19.218 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -18.656 7.912 18.305 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -7.087 5.189 24.228 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -7.776 5.847 24.133 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -7.072 4.992 25.165 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -18.467 11.199 23.093 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -19.207 11.797 23.196 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -17.753 11.753 22.777 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -20.059 13.163 23.880 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -20.065 14.042 23.502 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -20.913 13.080 24.305 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -23.938 12.834 14.662 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -24.210 13.063 13.773 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -23.893 13.672 15.122 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -10.313 14.456 21.375 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -11.255 14.514 21.536 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -10.037 15.362 21.238 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -10.013 2.742 22.792 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -10.749 3.353 22.754 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -9.329 3.157 22.266 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -17.010 0.829 20.258 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -17.127 -0.120 20.204 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -17.865 1.161 20.531 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -9.216 12.704 24.986 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -9.076 12.113 24.247 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -9.048 13.577 24.630 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -11.440 8.050 24.778 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -11.360 8.813 25.350 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -12.041 8.329 24.087 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -19.692 10.506 17.593 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -20.022 10.136 16.774 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -19.104 9.836 17.939 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -19.325 9.275 21.226 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -18.760 9.396 20.463 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -19.006 9.912 21.865 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -13.016 14.778 21.960 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -13.257 15.440 22.608 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -13.214 13.944 22.385 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -18.445 13.674 25.943 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -18.757 14.456 26.399 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -19.095 13.521 25.257 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -20.206 15.746 26.707 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -20.198 15.610 25.759 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -21.122 15.628 26.959 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -20.702 9.576 15.182 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -20.994 10.344 14.691 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -21.376 8.916 15.019 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -7.578 15.154 11.585 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -7.505 16.093 11.755 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -6.673 14.849 11.528 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -24.858 14.719 20.881 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -23.912 14.575 20.862 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -24.971 15.503 21.418 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -6.661 15.385 26.563 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -6.710 14.430 26.526 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -7.487 15.653 26.965 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -15.682 14.959 25.439 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -15.595 15.785 25.914 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -16.546 14.629 25.688 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -22.360 13.262 25.040 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -22.143 12.901 25.900 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -23.215 12.888 24.830 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -19.741 1.732 21.036 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -20.602 1.645 20.628 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -19.763 2.588 21.463 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -19.653 6.919 17.043 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -20.546 6.578 16.984 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -19.202 6.542 16.287 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -18.534 4.392 10.796 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -18.965 3.947 11.526 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -19.252 4.764 10.284 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -13.849 8.419 23.345 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -13.525 7.788 22.702 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -14.289 7.884 24.006 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -18.590 5.975 14.612 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -17.658 6.104 14.790 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -18.805 6.645 13.963 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -12.666 3.581 21.393 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -13.343 3.712 22.057 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -13.152 3.426 20.583 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -19.916 7.170 12.179 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -20.458 6.790 11.488 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -19.082 7.364 11.750 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -15.751 7.134 20.016 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -15.187 6.587 19.469 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -15.899 6.612 20.805 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -20.749 3.270 16.434 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -21.066 2.368 16.399 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -19.968 3.272 15.882 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -17.125 5.522 22.430 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -17.960 5.976 22.540 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -16.601 5.798 23.182 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -9.431 10.868 22.901 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -8.789 11.325 22.358 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -10.261 10.981 22.439 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -15.061 11.919 25.352 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -15.407 11.538 26.158 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -15.261 12.853 25.423 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -21.456 11.030 19.884 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -20.711 11.028 19.283 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -21.378 10.206 20.366 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -12.811 14.381 25.302 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -13.712 14.564 25.034 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -12.777 14.640 26.223 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -7.116 12.426 26.506 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -7.968 12.664 26.139 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -6.526 12.409 25.753 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -8.784 15.412 14.134 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -9.157 14.586 14.444 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -8.507 15.229 13.237 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -11.624 10.220 21.156 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -12.552 9.988 21.129 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -11.173 9.443 20.826 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -17.654 12.211 16.865 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -17.895 13.136 16.907 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -18.394 11.752 17.261 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -13.595 12.459 22.881 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -14.021 12.232 23.707 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -13.014 11.721 22.698 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -10.936 17.011 25.350 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -11.538 16.456 24.855 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -10.655 17.678 24.724 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -6.888 17.868 12.156 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -6.145 18.454 12.016 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -7.583 18.436 12.489 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -23.163 16.049 23.192 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -22.946 15.117 23.161 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -22.916 16.323 24.076 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -17.301 14.500 10.402 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -17.062 13.752 9.854 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -17.570 14.112 11.234 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -18.364 14.070 12.858 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -18.217 13.550 13.648 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -18.367 14.977 13.164 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -14.079 3.985 23.647 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -13.381 4.059 24.297 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -14.460 3.121 23.802 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -19.554 3.509 13.205 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -19.637 4.398 13.551 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -18.664 3.244 13.436 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -21.295 13.937 12.265 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -20.703 14.636 12.541 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -20.836 13.504 11.546 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -23.241 15.323 16.215 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -24.073 15.796 16.242 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -22.695 15.833 15.616 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -19.704 12.090 10.631 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -19.640 11.296 11.162 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -19.051 11.971 9.942 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -11.655 11.632 25.315 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -10.910 12.220 25.195 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -12.412 12.214 25.378 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -18.555 10.062 12.937 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -19.014 9.578 13.623 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -18.300 9.394 12.301 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -17.484 8.305 11.200 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -17.664 8.151 10.272 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -16.533 8.413 11.244 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -8.094 10.660 10.645 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -8.367 10.235 9.832 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -8.054 11.591 10.428 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -16.932 9.119 24.108 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -16.181 8.963 23.535 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -17.271 9.971 23.832 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -17.586 18.996 12.201 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -16.653 19.154 12.345 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -17.850 19.671 11.576 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -24.018 13.632 11.684 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -23.104 13.711 11.957 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -24.011 12.945 11.017 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -25.369 19.025 16.761 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -26.016 18.563 16.228 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -25.014 18.353 17.344 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -24.499 17.106 18.566 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -24.833 16.225 18.738 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -24.277 17.451 19.430 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -6.950 17.915 21.546 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -6.972 18.100 22.485 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -6.260 18.484 21.205 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -7.387 17.482 24.468 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -7.874 16.747 24.097 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -6.838 17.089 25.146 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -8.995 15.245 23.699 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -9.643 15.570 24.324 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -9.513 14.805 23.024 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -6.973 9.483 12.835 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -7.494 9.840 12.116 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -7.006 10.158 13.513 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -8.598 10.073 26.646 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -8.015 9.339 26.837 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -8.034 10.845 26.692 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -7.101 7.976 27.330 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -7.964 7.597 27.165 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -6.497 7.237 27.256 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -9.132 6.267 20.905 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -8.199 6.479 20.871 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -9.367 6.369 21.828 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -9.103 7.004 23.681 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -9.946 7.272 24.047 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -8.660 7.826 23.470 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -19.873 15.909 23.920 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -20.298 16.718 23.637 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -18.968 15.994 23.618 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -15.562 17.308 26.879 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -15.377 16.974 27.757 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -14.715 17.617 26.557 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -13.217 18.593 26.123 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -12.540 17.961 25.883 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -12.895 18.995 26.931 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -22.471 19.165 23.967 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -23.191 19.605 23.516 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -22.837 18.914 24.816 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -20.004 18.765 22.997 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -20.869 18.837 23.401 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -20.059 19.312 22.213 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -12.966 17.531 23.118 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -13.870 17.696 22.852 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -12.537 18.384 23.052 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -10.361 19.101 23.413 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -10.543 20.017 23.202 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -10.185 18.691 22.566 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -23.056 17.788 20.878 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -23.075 17.363 21.735 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -22.251 17.470 20.469 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -9.727 0.739 19.638 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -9.123 1.287 19.137 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -10.596 1.059 19.398 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -17.963 1.193 17.161 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -17.089 1.581 17.131 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -18.099 0.978 18.084 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -23.805 17.012 14.049 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -24.490 16.974 13.381 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -23.802 17.925 14.337 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -21.987 17.932 11.074 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -22.255 18.219 11.947 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -21.216 17.386 11.226 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -22.163 28.148 -34.250 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -22.121 27.522 -33.526 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -21.460 28.771 -34.068 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -21.239 32.598 -35.715 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -21.609 31.796 -36.084 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -20.298 32.429 -35.668 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -23.919 28.420 -38.196 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -23.705 27.650 -37.669 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -23.181 28.509 -38.799 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -23.226 25.858 -37.075 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -22.572 25.308 -36.643 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -23.202 25.584 -37.991 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -18.467 30.055 -33.475 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -19.207 30.653 -33.372 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -17.753 30.609 -33.791 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -20.059 32.019 -32.688 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -20.065 32.898 -33.066 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -20.913 31.936 -32.263 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -23.938 31.690 -41.906 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -24.210 31.919 -42.795 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -23.893 32.528 -41.446 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -18.325 32.790 -36.294 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -18.420 32.212 -37.051 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -17.596 32.419 -35.798 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -19.325 28.131 -35.342 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -18.760 28.252 -36.105 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -19.006 28.768 -34.703 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -18.445 32.530 -30.625 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -18.757 33.312 -30.169 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -19.095 32.377 -31.311 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -21.525 28.728 -31.396 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -21.455 29.379 -30.698 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -22.416 28.831 -31.731 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -15.682 33.815 -31.129 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -15.595 34.641 -30.654 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -16.546 33.485 -30.880 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -21.614 36.376 -39.542 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -21.462 36.028 -38.663 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -22.465 36.020 -39.797 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -21.900 25.874 -32.570 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -21.938 26.274 -31.702 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -22.391 25.057 -32.480 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -21.781 30.583 -29.290 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -21.048 30.837 -28.729 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -22.561 30.787 -28.775 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -21.456 29.886 -36.684 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -20.711 29.884 -37.285 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -21.378 29.062 -36.202 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -24.448 28.347 -31.369 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -24.225 27.929 -30.537 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -25.050 27.734 -31.791 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -17.139 35.216 -33.388 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -16.776 36.071 -33.621 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -16.607 34.924 -32.647 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -23.241 34.179 -40.353 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -24.073 34.652 -40.326 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -22.695 34.689 -40.952 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -19.355 35.711 -27.403 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -18.587 35.252 -27.062 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -19.376 35.485 -28.333 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -24.045 30.602 -28.069 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -23.901 29.700 -28.355 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -24.818 30.888 -28.557 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -17.390 30.572 -28.636 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -17.718 30.843 -29.494 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -17.238 29.631 -28.724 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -23.213 27.802 -28.649 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -22.805 26.945 -28.770 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -23.473 27.817 -27.728 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -25.369 37.881 -39.807 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -26.016 37.419 -40.340 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -25.014 37.209 -39.224 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -24.499 35.962 -38.002 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -24.833 35.081 -37.830 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -24.277 36.307 -37.138 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -25.296 25.619 -35.450 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -24.804 25.398 -36.240 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -24.934 26.460 -35.169 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -15.562 36.164 -29.689 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -15.377 35.830 -28.811 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -14.715 36.473 -30.011 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -20.004 37.621 -33.571 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -20.869 37.693 -33.167 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -20.059 38.168 -34.355 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -20.915 35.354 -37.035 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -21.134 34.438 -36.866 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -20.091 35.494 -36.569 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -18.378 35.824 -36.187 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -18.165 34.936 -36.474 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -18.313 35.790 -35.232 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -14.531 28.533 -16.987 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -14.569 27.887 -16.282 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -14.854 28.067 -17.758 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -21.239 32.598 -16.859 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -21.609 31.796 -17.228 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -20.298 32.429 -16.812 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -23.919 28.420 -19.340 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -23.705 27.650 -18.813 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -23.181 28.509 -19.943 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -16.142 30.966 -16.581 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -15.838 30.280 -17.175 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -15.420 31.084 -15.963 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -7.479 22.567 -15.720 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -7.430 23.177 -14.984 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -7.053 23.028 -16.443 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.001 25.360 -16.253 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.858 24.413 -16.233 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -13.107 25.567 -17.182 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -23.226 25.858 -18.219 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -22.572 25.308 -17.787 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -23.202 25.584 -19.135 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -7.087 24.045 -13.484 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -7.776 24.703 -13.579 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -7.072 23.848 -12.547 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -21.036 22.379 -14.907 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -21.255 22.909 -15.673 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -21.704 22.606 -14.259 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -21.442 24.271 -16.954 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -20.829 24.904 -16.581 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -20.930 23.799 -17.611 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -10.313 33.312 -16.337 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -11.255 33.370 -16.176 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -10.037 34.218 -16.474 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -10.013 21.598 -14.920 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -10.749 22.209 -14.958 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -9.329 22.013 -15.446 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -11.440 26.906 -12.934 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -11.360 27.669 -12.362 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -12.041 27.185 -13.625 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -19.692 29.362 -20.119 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -20.022 28.992 -20.938 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -19.104 28.692 -19.773 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -18.325 32.790 -17.438 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -18.420 32.212 -18.195 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -17.596 32.419 -16.942 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -19.325 28.131 -16.486 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -18.760 28.252 -17.249 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -19.006 28.768 -15.847 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -13.016 33.634 -15.752 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -13.257 34.296 -15.104 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -13.214 32.800 -15.327 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -24.858 33.575 -16.831 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -23.912 33.431 -16.850 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -24.971 34.359 -16.294 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -15.682 33.815 -12.273 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -15.595 34.641 -11.798 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -16.546 33.485 -12.024 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -21.614 36.376 -20.686 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -21.462 36.028 -19.807 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -22.465 36.020 -20.941 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.078 20.310 -13.302 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -14.658 19.895 -12.549 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -16.011 20.132 -13.185 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -11.752 24.066 -12.448 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -12.266 23.940 -11.651 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -11.907 24.978 -12.693 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -19.650 25.554 -15.581 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -20.292 25.513 -14.872 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -19.613 26.480 -15.819 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -21.900 25.874 -13.714 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -21.938 26.274 -12.846 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -22.391 25.057 -13.624 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -13.849 27.275 -14.367 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -13.525 26.644 -15.010 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -14.289 26.740 -13.706 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -12.666 22.437 -16.319 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -13.343 22.568 -15.655 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -13.152 22.282 -17.129 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -17.125 24.378 -15.282 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -17.960 24.832 -15.172 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -16.601 24.654 -14.530 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -9.431 29.724 -14.811 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -8.789 30.181 -15.354 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -10.261 29.837 -15.273 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -15.061 30.775 -12.360 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -15.407 30.394 -11.554 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -15.261 31.709 -12.289 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -21.456 29.886 -17.828 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -20.711 29.884 -18.429 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -21.378 29.062 -17.346 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -23.326 28.266 -25.836 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -22.710 28.893 -25.457 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -24.188 28.582 -25.565 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -17.139 35.216 -14.532 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -16.776 36.071 -14.765 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -16.607 34.924 -13.791 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -13.595 31.315 -14.831 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -14.021 31.088 -14.005 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -13.014 30.577 -15.014 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -22.814 23.100 -12.955 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -23.707 23.439 -13.022 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -22.913 22.245 -12.537 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -23.163 34.905 -14.520 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -22.946 33.973 -14.551 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -22.916 35.179 -13.636 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -17.301 33.356 -27.310 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -17.062 32.608 -27.858 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -17.570 32.968 -26.478 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -18.364 32.926 -24.854 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -18.217 32.406 -24.064 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -18.367 33.833 -24.548 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -14.079 22.841 -14.065 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -13.381 22.915 -13.415 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -14.460 21.977 -13.910 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -9.355 23.114 -12.113 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -10.271 23.377 -12.201 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -9.019 23.111 -13.010 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -21.295 32.793 -25.447 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -20.703 33.492 -25.171 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -20.836 32.360 -26.166 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -9.666 36.121 -16.395 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -9.822 36.799 -17.052 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -8.734 36.193 -16.192 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -19.704 30.946 -27.081 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -19.640 30.152 -26.550 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -19.051 30.827 -27.770 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -19.266 26.811 -12.419 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -19.884 27.486 -12.138 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -18.922 27.132 -13.252 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -18.514 22.536 -13.844 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -17.978 22.987 -14.496 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -19.366 22.428 -14.266 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -16.932 27.975 -13.604 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -16.181 27.819 -14.177 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -17.271 28.827 -13.880 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -17.708 19.992 -13.412 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -17.806 20.939 -13.518 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -18.451 19.620 -13.888 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -22.267 23.285 -9.720 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -22.056 22.578 -10.331 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -22.379 22.847 -8.876 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -17.486 19.286 -10.741 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -16.774 18.646 -10.755 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -17.587 19.553 -11.655 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -24.018 32.488 -26.028 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -23.104 32.567 -25.755 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -24.011 31.801 -26.695 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -25.369 37.881 -20.951 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -26.016 37.419 -21.484 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -25.014 37.209 -20.368 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -24.499 35.962 -19.146 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -24.833 35.081 -18.974 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -24.277 36.307 -18.282 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -6.950 36.771 -16.166 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -6.972 36.956 -15.227 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -6.260 37.340 -16.507 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -7.482 31.223 -16.320 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -6.648 30.845 -16.601 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -7.370 32.166 -16.439 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -8.995 34.101 -14.013 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -9.643 34.426 -13.388 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -9.513 33.661 -14.688 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -24.419 29.037 -16.695 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -24.235 28.955 -17.630 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -23.570 28.913 -16.271 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -8.598 28.929 -11.066 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -8.015 28.195 -10.875 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -8.034 29.701 -11.020 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -7.101 26.832 -10.382 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -7.964 26.453 -10.547 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -6.497 26.093 -10.456 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -9.103 25.860 -14.031 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -9.946 26.128 -13.665 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -8.660 26.682 -14.242 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -24.821 24.308 -10.554 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -23.902 24.186 -10.318 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -25.271 23.558 -10.165 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -25.296 25.619 -16.594 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -24.804 25.398 -17.384 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -24.934 26.460 -16.313 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -19.873 34.765 -13.792 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -20.298 35.574 -14.075 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -18.968 34.850 -14.094 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -22.471 38.021 -13.745 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -23.191 38.461 -14.196 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -22.837 37.770 -12.896 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -20.004 37.621 -14.715 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -20.869 37.693 -14.311 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -20.059 38.168 -15.499 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -15.293 37.509 -15.539 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -15.750 38.038 -16.193 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -15.130 38.112 -14.814 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -12.966 36.387 -14.594 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -13.870 36.552 -14.860 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -12.537 37.240 -14.660 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -10.361 37.957 -14.299 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -10.543 38.873 -14.510 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -10.185 37.547 -15.146 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -23.056 36.644 -16.834 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -23.075 36.219 -15.977 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.251 36.326 -17.243 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -20.915 35.354 -18.179 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -21.134 34.438 -18.010 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -20.091 35.494 -17.713 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -23.805 35.868 -23.663 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -24.490 35.830 -24.331 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -23.802 36.781 -23.375 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -22.585 20.636 -10.847 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -22.951 19.871 -10.404 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -21.672 20.665 -10.560 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -20.612 19.987 -9.311 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -19.713 19.713 -9.496 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -20.998 19.244 -8.847 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -21.987 36.788 -26.638 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -22.255 37.075 -25.765 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -21.216 36.242 -26.486 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -9.379 38.109 8.814 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -9.179 38.533 7.979 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -8.723 38.452 9.421 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -23.163 34.905 4.336 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -22.946 33.973 4.305 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -22.916 35.179 5.220 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -22.171 20.239 1.198 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -22.400 20.298 0.271 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -22.614 19.447 1.505 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -8.936 32.128 10.250 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -9.802 32.023 10.644 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -8.560 32.887 10.697 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -6.820 19.840 10.179 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -6.470 19.186 9.573 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -6.673 20.677 9.739 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -7.300 21.949 8.528 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -8.217 22.220 8.492 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -7.177 21.414 7.744 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -24.983 21.877 -3.683 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -25.908 22.086 -3.813 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -24.529 22.361 -4.373 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -25.019 20.615 4.661 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -25.684 20.369 5.304 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -25.462 21.237 4.084 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -8.299 20.039 6.347 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -9.112 20.364 5.959 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -8.066 19.279 5.814 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -22.471 38.021 5.111 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -23.191 38.461 4.660 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -22.837 37.770 5.960 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -23.056 36.644 2.022 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -23.075 36.219 2.879 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -22.251 36.326 1.613 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -22.543 20.122 -1.508 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -23.320 19.888 -2.016 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -22.012 19.325 -1.500 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -23.706 19.920 -5.705 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -23.267 20.531 -6.296 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -24.340 20.458 -5.231 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -21.845 21.836 -7.262 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -21.354 21.206 -7.790 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -21.222 22.132 -6.599 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -13.464 29.278 17.306 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -13.375 30.222 17.174 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -14.103 29.003 16.648 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -14.531 28.533 20.725 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -14.569 27.887 21.430 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -14.854 28.067 19.954 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -22.163 28.148 22.318 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -22.121 27.522 23.042 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -21.460 28.771 22.500 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -23.919 28.420 18.372 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -23.705 27.650 18.899 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -23.181 28.509 17.769 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -13.001 25.360 21.459 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -12.858 24.413 21.479 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -13.107 25.567 20.530 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -18.070 27.408 18.709 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -17.454 26.882 19.218 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -18.656 26.768 18.305 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -21.036 22.379 22.805 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -21.255 22.909 22.039 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.704 22.606 23.453 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -13.667 31.879 16.349 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -13.963 31.557 15.498 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -13.991 32.779 16.391 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -10.360 22.883 19.113 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -10.575 22.117 19.645 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -9.704 23.355 19.626 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -10.013 21.598 22.792 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -10.749 22.209 22.754 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -9.329 22.013 22.266 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -14.689 26.980 11.797 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -13.988 27.002 12.448 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -14.387 26.352 11.141 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -11.337 28.732 15.710 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -12.069 28.960 16.283 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -10.890 28.018 16.165 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -18.325 32.790 20.274 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -18.420 32.212 19.517 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -17.596 32.419 20.770 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -19.325 28.131 21.226 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -18.760 28.252 20.463 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -19.006 28.768 21.865 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -12.466 27.894 13.395 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -11.887 28.044 14.142 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -12.052 28.365 12.672 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -8.768 19.644 13.208 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -9.667 19.783 13.503 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -8.516 20.475 12.806 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -7.578 34.010 11.585 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -7.505 34.949 11.755 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -6.673 33.705 11.528 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -15.268 37.587 15.245 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.343 37.466 14.299 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -15.235 38.537 15.364 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -21.614 36.376 17.026 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -21.462 36.028 17.905 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -22.465 36.020 16.771 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -12.166 36.741 12.248 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -11.791 35.997 11.777 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -12.162 36.471 13.166 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -19.741 20.588 21.036 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -20.602 20.501 20.628 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -19.763 21.444 21.463 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -15.078 20.310 24.410 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -14.658 19.895 25.163 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -16.011 20.132 24.527 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -15.416 22.803 11.695 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -15.670 22.822 12.618 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -15.673 21.931 11.394 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -19.650 25.554 22.131 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -20.292 25.513 22.840 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -19.613 26.480 21.893 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -21.900 25.874 23.998 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -21.938 26.274 24.866 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -22.391 25.057 24.088 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -12.666 22.437 21.393 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -13.343 22.568 22.057 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -13.152 22.282 20.583 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -15.751 25.990 20.016 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -15.187 25.443 19.469 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -15.899 25.468 20.805 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -17.125 24.378 22.430 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -17.960 24.832 22.540 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -16.601 24.654 23.182 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -16.581 30.591 14.115 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -17.325 30.084 13.792 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -16.715 30.640 15.061 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -21.456 29.886 19.884 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -20.711 29.884 19.283 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -21.378 29.062 20.366 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -14.455 32.050 13.140 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -14.750 32.876 13.522 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -15.158 31.430 13.336 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -7.080 25.482 13.669 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -7.634 25.086 12.997 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -6.979 26.392 13.392 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -8.784 34.268 14.134 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -9.157 33.442 14.444 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -8.507 34.085 13.237 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -11.624 29.076 21.156 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -12.552 28.844 21.129 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -11.173 28.299 20.826 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -19.081 33.404 17.289 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -18.554 34.177 17.088 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -19.961 33.629 16.987 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -17.654 31.067 16.865 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -17.895 31.992 16.907 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.394 30.608 17.261 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -18.970 36.089 16.410 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -19.920 36.194 16.462 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -18.619 36.909 16.755 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -11.392 32.244 11.955 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -11.039 31.864 12.759 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -12.341 32.151 12.041 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -6.888 36.724 12.156 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -6.145 37.310 12.016 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -7.583 37.292 12.489 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -22.814 23.100 24.757 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -23.707 23.439 24.690 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.913 22.245 25.175 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -10.526 30.917 14.181 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -10.803 30.189 14.737 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -9.599 31.036 14.387 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -14.079 22.841 23.647 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -13.381 22.915 24.297 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -14.460 21.977 23.802 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -15.626 34.624 13.607 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -16.443 35.121 13.660 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -15.097 35.099 12.967 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -18.288 35.667 13.589 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -18.127 36.467 13.088 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -18.485 35.974 14.474 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -10.753 26.865 19.695 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -11.550 26.450 19.366 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -10.308 26.174 20.186 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -23.241 34.179 16.215 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -24.073 34.652 16.242 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -22.695 34.689 15.616 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -10.659 35.036 10.774 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -10.376 34.242 11.227 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -9.919 35.269 10.213 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -18.514 22.536 23.868 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -17.978 22.987 23.216 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -19.366 22.428 23.446 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -17.708 19.992 24.300 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -17.806 20.939 24.194 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -18.451 19.620 23.824 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -17.486 19.286 26.971 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -16.774 18.646 26.957 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -17.587 19.553 26.057 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -17.586 37.852 12.201 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -16.653 38.010 12.345 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -17.850 38.527 11.576 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -7.635 30.385 14.620 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -6.785 30.806 14.748 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -7.630 29.645 15.228 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -7.241 28.438 16.444 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -7.967 27.959 16.842 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -6.660 28.644 17.176 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -6.973 28.339 12.835 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -7.494 28.696 12.116 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -7.006 29.014 13.513 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -8.624 25.579 11.386 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -8.527 26.246 10.706 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -8.764 24.763 10.904 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -9.454 26.959 17.007 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -9.604 26.014 16.987 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -9.808 27.240 17.851 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -24.419 29.037 21.017 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -24.235 28.955 20.082 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -23.570 28.913 21.441 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -9.376 22.987 10.503 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -8.766 22.615 11.140 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -10.213 22.565 10.699 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -9.132 25.123 20.905 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -8.199 25.335 20.871 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -9.367 25.225 21.828 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -9.130 21.805 15.518 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -8.948 21.356 16.343 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -9.730 21.220 15.054 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -25.296 25.619 21.118 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -24.804 25.398 20.328 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -24.934 26.460 21.399 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -7.264 21.872 12.046 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -6.851 21.151 11.570 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -6.582 22.542 12.104 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -25.019 20.615 23.517 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -25.684 20.369 24.160 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -25.462 21.237 22.940 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -8.000 20.734 17.972 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -7.388 20.220 17.445 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -7.617 21.612 17.995 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -23.805 35.868 14.049 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -24.490 35.830 13.381 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -23.802 36.781 14.337 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -14.941 37.078 12.446 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -14.075 37.444 12.268 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -15.188 36.638 11.633 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -21.987 36.788 11.074 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -22.255 37.075 11.947 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -21.216 36.242 11.226 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -22.163 47.004 -34.250 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -22.121 46.378 -33.526 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -21.460 47.627 -34.068 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -19.846 42.317 -37.837 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -19.803 43.177 -38.255 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -20.304 41.765 -38.470 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -23.226 44.714 -37.075 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -22.572 44.164 -36.643 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -23.202 44.440 -37.991 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -21.442 43.127 -35.810 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -20.829 43.760 -35.437 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -20.930 42.655 -36.467 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -21.525 47.584 -31.396 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -21.455 48.235 -30.698 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -22.416 47.687 -31.731 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -24.609 49.651 -32.571 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -25.110 49.623 -33.386 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -24.603 48.745 -32.261 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -22.360 50.974 -31.528 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -22.143 50.613 -30.668 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -23.215 50.600 -31.738 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -19.741 39.444 -35.532 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -20.602 39.357 -35.940 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -19.763 40.300 -35.105 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -19.650 44.410 -34.437 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -20.292 44.369 -33.728 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -19.613 45.336 -34.675 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -21.900 44.730 -32.570 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -21.938 45.130 -31.702 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -22.391 43.913 -32.480 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -25.292 41.846 -38.720 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -24.661 41.817 -38.000 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -24.842 41.421 -39.450 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -21.781 49.439 -29.290 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -21.048 49.693 -28.729 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -22.561 49.643 -28.775 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -17.125 43.234 -34.138 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -17.960 43.688 -34.028 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -16.601 43.510 -33.386 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -24.448 47.203 -31.369 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -24.225 46.785 -30.537 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -25.050 46.590 -31.791 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -23.163 53.761 -33.376 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -22.946 52.829 -33.407 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -22.916 54.035 -32.492 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -22.171 39.095 -36.514 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -22.400 39.154 -37.441 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -22.614 38.303 -36.207 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -23.952 55.648 -29.023 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -23.412 55.431 -28.264 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -24.433 54.842 -29.213 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -24.045 49.458 -28.069 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -23.901 48.556 -28.355 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -24.818 49.744 -28.557 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -23.213 46.658 -28.649 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -22.805 45.801 -28.770 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -23.473 46.673 -27.728 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -19.266 45.667 -31.275 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -19.884 46.342 -30.994 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -18.922 45.988 -32.108 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -18.926 43.022 -30.192 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -18.776 42.293 -30.795 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -18.924 43.799 -30.751 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -18.514 41.392 -32.700 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -17.978 41.843 -33.352 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -19.366 41.284 -33.122 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -20.448 44.220 -28.281 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -21.215 43.688 -28.491 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -19.769 43.910 -28.880 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -17.708 38.848 -32.268 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -17.806 39.795 -32.374 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -18.451 38.476 -32.744 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -17.486 38.142 -29.597 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -16.774 37.502 -29.611 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -17.587 38.409 -30.511 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -17.133 39.825 -27.543 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -17.264 39.349 -28.364 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -17.732 40.569 -27.599 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -23.600 41.476 -36.519 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -23.155 40.684 -36.217 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -23.134 42.192 -36.088 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -25.296 44.475 -35.450 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -24.804 44.254 -36.240 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -24.934 45.316 -35.169 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -22.827 52.646 -28.907 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -23.648 52.821 -29.367 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -23.079 52.573 -27.986 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -22.543 38.978 -39.220 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.320 38.744 -39.728 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -22.012 38.181 -39.212 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -20.612 38.843 -28.167 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -19.713 38.569 -28.352 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -20.998 38.100 -27.703 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -21.239 51.454 -16.859 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -21.609 50.652 -17.228 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -20.298 51.285 -16.812 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -7.479 41.423 -15.720 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -7.430 42.033 -14.984 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -7.053 41.884 -16.443 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -19.846 42.317 -18.981 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -19.803 43.177 -19.399 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -20.304 41.765 -19.614 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -18.070 46.264 -19.003 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -17.454 45.738 -18.494 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -18.656 45.624 -19.407 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -7.087 42.901 -13.484 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -7.776 43.559 -13.579 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -7.072 42.704 -12.547 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -21.036 41.235 -14.907 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -21.255 41.765 -15.673 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -21.704 41.462 -14.259 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -18.467 48.911 -14.619 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -19.207 49.509 -14.516 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -17.753 49.465 -14.935 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -21.442 43.127 -16.954 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -20.829 43.760 -16.581 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -20.930 42.655 -17.611 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -20.059 50.875 -13.832 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -20.065 51.754 -14.210 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -20.913 50.792 -13.407 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -10.013 40.454 -14.920 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -10.749 41.065 -14.958 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -9.329 40.869 -15.446 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -7.374 46.756 -14.660 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -8.026 47.451 -14.571 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -6.909 46.966 -15.470 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -11.440 45.762 -12.934 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -11.360 46.525 -12.362 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -12.041 46.041 -13.625 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -19.692 48.218 -20.119 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -20.022 47.848 -20.938 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -19.104 47.548 -19.773 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -18.325 51.646 -17.438 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -18.420 51.068 -18.195 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -17.596 51.275 -16.942 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -19.325 46.987 -16.486 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -18.760 47.108 -17.249 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -19.006 47.624 -15.847 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -18.445 51.386 -11.769 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -18.757 52.168 -11.313 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -19.095 51.233 -12.455 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -20.206 53.458 -11.005 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -20.198 53.322 -11.953 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -21.122 53.340 -10.753 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -20.702 47.288 -22.530 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -20.994 48.056 -23.021 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -21.376 46.628 -22.693 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -24.858 52.431 -16.831 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -23.912 52.287 -16.850 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -24.971 53.215 -16.294 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -21.614 55.232 -20.686 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -21.462 54.884 -19.807 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -22.465 54.876 -20.941 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -9.509 44.590 -10.669 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -9.916 45.071 -11.389 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -9.468 43.685 -10.976 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -22.360 50.974 -12.672 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -22.143 50.613 -11.812 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -23.215 50.600 -12.882 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -19.741 39.444 -16.676 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -20.602 39.357 -17.084 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -19.763 40.300 -16.249 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -15.078 39.166 -13.302 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -14.658 38.751 -12.549 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -16.011 38.988 -13.185 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -11.752 42.922 -12.448 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -12.266 42.796 -11.651 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -11.907 43.834 -12.693 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -19.650 44.410 -15.581 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -20.292 44.369 -14.872 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -19.613 45.336 -15.819 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -19.653 44.631 -20.669 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -20.546 44.290 -20.728 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -19.202 44.254 -21.425 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -15.015 45.222 -10.364 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -15.578 44.518 -10.044 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -14.189 45.102 -9.897 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -18.534 42.104 -26.916 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -18.965 41.659 -26.186 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -19.252 42.476 -27.428 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -18.590 43.687 -23.100 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -17.658 43.816 -22.922 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -18.805 44.357 -23.749 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -12.666 41.293 -16.319 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -13.343 41.424 -15.655 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -13.152 41.138 -17.129 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -19.916 44.882 -25.533 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -20.458 44.502 -26.224 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -19.082 45.076 -25.962 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -21.781 49.439 -10.434 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -21.048 49.693 -9.873 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -22.561 49.643 -9.919 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -20.749 40.982 -21.278 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -21.066 40.080 -21.313 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -19.968 40.984 -21.830 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -19.081 52.260 -20.423 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -18.554 53.033 -20.624 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -19.961 52.485 -20.725 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -23.326 47.122 -25.836 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -22.710 47.749 -25.457 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -24.188 47.438 -25.565 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -22.814 41.956 -12.955 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -23.707 42.295 -13.022 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -22.913 41.101 -12.537 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -23.163 53.761 -14.520 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -22.946 52.829 -14.551 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -22.916 54.035 -13.636 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -21.911 49.035 -24.344 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -22.597 49.387 -23.777 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -21.388 49.798 -24.590 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -14.079 41.697 -14.065 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -13.381 41.771 -13.415 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -14.460 40.833 -13.910 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -15.559 44.063 -12.948 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -15.440 44.637 -12.191 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -14.904 43.375 -12.833 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -19.554 41.221 -24.507 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -19.637 42.110 -24.161 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -18.664 40.956 -24.276 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -21.295 51.649 -25.447 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -20.703 52.348 -25.171 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -20.836 51.216 -26.166 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -22.979 44.313 -26.331 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -23.024 45.252 -26.152 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -23.867 44.077 -26.601 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -22.171 39.095 -17.658 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -22.400 39.154 -18.585 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -22.614 38.303 -17.351 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -23.241 53.035 -21.497 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -24.073 53.508 -21.470 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -22.695 53.545 -22.096 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -23.952 55.648 -10.167 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -23.412 55.431 -9.408 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -24.433 54.842 -10.357 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -19.704 49.802 -27.081 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -19.640 49.008 -26.550 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -19.051 49.683 -27.770 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -18.555 47.774 -24.775 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -19.014 47.290 -24.089 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -18.300 47.106 -25.411 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -19.266 45.667 -12.419 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -19.884 46.342 -12.138 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -18.922 45.988 -13.252 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -18.926 43.022 -11.336 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -18.776 42.293 -11.939 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -18.924 43.799 -11.895 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -18.514 41.392 -13.844 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -17.978 41.843 -14.496 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -19.366 41.284 -14.266 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -16.932 46.831 -13.604 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -16.181 46.675 -14.177 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -17.271 47.683 -13.880 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -12.516 44.646 -8.576 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -12.324 43.715 -8.687 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -11.659 45.071 -8.586 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -11.200 47.435 -10.498 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -11.481 48.144 -11.076 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -10.257 47.362 -10.649 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -20.448 44.220 -9.425 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -21.215 43.688 -9.635 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -19.769 43.910 -10.024 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -17.708 38.848 -13.412 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -17.806 39.795 -13.518 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -18.451 38.476 -13.888 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -16.444 43.170 -9.849 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -16.680 42.950 -8.947 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -17.227 42.963 -10.358 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -24.018 51.344 -26.028 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -23.104 51.423 -25.755 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -24.011 50.657 -26.695 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -25.369 56.737 -20.951 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -26.016 56.275 -21.484 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -25.014 56.065 -20.368 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -24.499 54.818 -19.146 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -24.833 53.937 -18.974 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -24.277 55.163 -18.282 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -8.598 47.785 -11.066 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -8.015 47.051 -10.875 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -8.034 48.557 -11.020 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -7.101 45.688 -10.382 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -7.964 45.309 -10.547 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -6.497 44.949 -10.456 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -9.132 43.979 -16.807 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -8.199 44.191 -16.841 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -9.367 44.081 -15.884 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -9.103 44.716 -14.031 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -9.946 44.984 -13.665 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -8.660 45.538 -14.242 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -23.600 41.476 -17.663 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -23.155 40.684 -17.361 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -23.134 42.192 -17.232 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -22.827 52.646 -10.051 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -23.648 52.821 -10.511 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -23.079 52.573 -9.130 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -19.873 53.621 -13.792 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -20.298 54.430 -14.075 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -18.968 53.706 -14.094 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -23.056 55.500 -16.834 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -23.075 55.075 -15.977 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -22.251 55.182 -17.243 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -20.915 54.210 -18.179 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -21.134 53.294 -18.010 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -20.091 54.350 -17.713 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -22.543 38.978 -20.364 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -23.320 38.744 -20.872 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -22.012 38.181 -20.356 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -23.706 38.776 -24.561 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -23.267 39.387 -25.152 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -24.340 39.314 -24.087 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -23.805 54.724 -23.663 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -24.490 54.686 -24.331 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -23.802 55.637 -23.375 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -21.845 40.692 -26.118 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -21.354 40.062 -26.646 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -21.222 40.988 -25.455 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -21.987 55.644 -26.638 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -22.255 55.931 -25.765 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -21.216 55.098 -26.486 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -13.464 48.134 -1.550 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -13.375 49.078 -1.682 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -14.103 47.859 -2.208 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -14.531 47.389 1.869 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -14.569 46.743 2.574 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -14.854 46.923 1.098 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -22.163 47.004 3.462 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -22.121 46.378 4.186 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -21.460 47.627 3.644 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -23.919 47.276 -0.484 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -23.705 46.506 0.043 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -23.181 47.365 -1.087 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -13.001 44.216 2.603 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -12.858 43.269 2.623 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -13.107 44.423 1.674 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -19.846 42.317 -0.125 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -19.803 43.177 -0.543 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -20.304 41.765 -0.758 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -23.226 44.714 0.637 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -22.572 44.164 1.069 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -23.202 44.440 -0.279 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -18.070 46.264 -0.147 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -17.454 45.738 0.362 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -18.656 45.624 -0.551 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -7.087 42.901 5.372 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -7.776 43.559 5.277 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -7.072 42.704 6.309 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -21.036 41.235 3.949 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -21.255 41.765 3.183 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -21.704 41.462 4.597 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -21.442 43.127 1.902 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -20.829 43.760 2.275 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -20.930 42.655 1.245 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -23.938 50.546 -4.194 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -24.210 50.775 -5.083 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -23.893 51.384 -3.734 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -14.743 47.378 -4.098 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -15.455 47.913 -4.449 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -14.052 47.434 -4.758 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -14.689 45.836 -7.059 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -13.988 45.858 -6.408 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -14.387 45.208 -7.715 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -11.337 47.588 -3.146 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -12.069 47.816 -2.573 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -10.890 46.874 -2.691 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -11.440 45.762 5.922 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.360 46.525 6.494 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -12.041 46.041 5.231 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -19.692 48.218 -1.263 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -20.022 47.848 -2.082 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -19.104 47.548 -0.917 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -19.325 46.987 2.370 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -18.760 47.108 1.607 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -19.006 47.624 3.009 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -12.466 46.750 -5.461 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -11.887 46.900 -4.714 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -12.052 47.221 -6.184 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -20.702 47.288 -3.674 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -20.994 48.056 -4.165 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -21.376 46.628 -3.837 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -9.509 44.590 8.187 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -9.916 45.071 7.467 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -9.468 43.685 7.880 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -11.752 42.922 6.408 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -12.266 42.796 7.205 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -11.907 43.834 6.163 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -10.989 47.783 -7.831 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -10.947 47.560 -8.761 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -10.140 48.181 -7.641 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -19.650 44.410 3.275 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -20.292 44.369 3.984 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -19.613 45.336 3.037 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -19.653 44.631 -1.813 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -20.546 44.290 -1.872 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -19.202 44.254 -2.569 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -14.117 45.047 -2.996 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -14.526 45.862 -3.288 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -13.397 44.907 -3.611 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -15.015 45.222 8.492 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -15.578 44.518 8.812 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -14.189 45.102 8.959 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -21.900 44.730 5.142 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -21.938 45.130 6.010 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -22.391 43.913 5.232 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -13.849 46.131 4.489 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -13.525 45.500 3.846 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -14.289 45.596 5.150 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -19.916 44.882 -6.677 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -20.458 44.502 -7.368 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -19.082 45.076 -7.106 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -15.751 44.846 1.160 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -15.187 44.299 0.613 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -15.899 44.324 1.949 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -21.456 48.742 1.028 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -20.711 48.740 0.427 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -21.378 47.918 1.510 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -17.431 46.720 8.556 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -17.727 46.554 7.661 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -16.500 46.500 8.546 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -7.080 44.338 -5.187 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -7.634 43.942 -5.859 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -6.979 45.248 -5.464 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -11.624 47.932 2.300 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -12.552 47.700 2.273 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -11.173 47.155 1.970 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -22.814 41.956 5.901 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -23.707 42.295 5.834 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -22.913 41.101 6.319 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -9.355 41.970 6.743 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -10.271 42.233 6.655 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -9.019 41.967 5.846 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -10.753 45.721 0.839 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -11.550 45.306 0.510 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -10.308 45.030 1.330 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -21.295 51.649 -6.591 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -20.703 52.348 -6.315 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -20.836 51.216 -7.310 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -23.241 53.035 -2.641 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -24.073 53.508 -2.614 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -22.695 53.545 -3.240 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -19.704 49.802 -8.225 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -19.640 49.008 -7.694 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -19.051 49.683 -8.914 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -18.555 47.774 -5.919 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -19.014 47.290 -5.233 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -18.300 47.106 -6.555 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -19.266 45.667 6.437 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -19.884 46.342 6.718 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -18.922 45.988 5.604 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -17.484 46.017 -7.656 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -17.664 45.863 -8.584 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -16.533 46.125 -7.612 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -8.094 48.372 -8.211 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -8.367 47.947 -9.024 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -8.054 49.303 -8.428 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -18.926 43.022 7.520 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -18.776 42.293 6.917 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -18.924 43.799 6.961 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -16.932 46.831 5.252 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -16.181 46.675 4.679 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -17.271 47.683 4.976 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -12.516 44.646 10.280 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -12.324 43.715 10.169 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -11.659 45.071 10.270 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -20.448 44.220 9.431 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -21.215 43.688 9.221 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -19.769 43.910 8.832 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -16.444 43.170 9.007 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -16.680 42.950 9.909 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -17.227 42.963 8.498 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -12.094 40.931 10.088 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -12.191 39.979 10.082 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -12.416 41.200 10.949 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -17.133 39.825 10.169 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -17.264 39.349 9.348 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -17.732 40.569 10.113 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -7.241 47.294 -2.412 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -7.967 46.815 -2.014 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -6.660 47.500 -1.680 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -6.973 47.195 -6.021 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -7.494 47.552 -6.740 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -7.006 47.870 -5.343 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -8.624 44.435 -7.470 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -8.527 45.102 -8.150 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -8.764 43.619 -7.952 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -9.454 45.815 -1.849 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -9.604 44.870 -1.869 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -9.808 46.096 -1.005 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -24.419 47.893 2.161 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -24.235 47.811 1.226 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -23.570 47.769 2.585 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -9.132 43.979 2.049 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -8.199 44.191 2.015 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -9.367 44.081 2.972 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -9.103 44.716 4.825 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -9.946 44.984 5.191 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -8.660 45.538 4.614 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -6.820 38.696 10.179 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -6.470 38.042 9.573 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -6.673 39.533 9.739 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -25.296 44.475 2.262 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -24.804 44.254 1.472 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -24.934 45.316 2.543 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -7.300 40.805 8.528 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -8.217 41.076 8.492 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -7.177 40.270 7.744 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -25.019 39.471 4.661 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -25.684 39.225 5.304 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -25.462 40.093 4.084 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -23.805 54.724 -4.807 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -24.490 54.686 -5.475 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -23.802 55.637 -4.519 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -22.585 39.492 8.009 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -22.951 38.727 8.452 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -21.672 39.521 8.296 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -20.612 38.843 9.545 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -19.713 38.569 9.360 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -20.998 38.100 10.009 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -12.190 38.175 9.727 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -12.114 37.749 10.581 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -11.297 38.189 9.385 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -15.416 41.659 11.695 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -15.670 41.678 12.618 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -15.673 40.787 11.394 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -18.534 42.104 10.796 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -18.965 41.659 11.526 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -19.252 42.476 10.284 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -9.376 41.843 10.503 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -8.766 41.471 11.140 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -10.213 41.421 10.699 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -23.706 38.776 13.151 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -23.267 39.387 12.560 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -24.340 39.314 13.625 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 0.411 -24.038 7.087 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 0.099 -23.256 7.543 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -0.239 -24.191 6.401 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -1.350 -21.966 7.851 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -1.342 -22.102 6.903 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -2.266 -22.084 8.103 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 3.174 -22.753 6.583 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 3.261 -21.927 7.058 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 2.310 -23.083 6.832 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -2.925 -25.985 8.422 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -2.192 -25.731 8.983 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -3.705 -25.781 8.937 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 3.795 -25.793 6.496 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 3.449 -26.174 7.302 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 3.595 -24.859 6.567 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 1.425 -28.704 8.556 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 1.129 -28.870 7.661 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 2.356 -28.924 8.546 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -5.096 -19.776 8.689 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -4.556 -19.993 9.448 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -5.577 -20.582 8.499 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -0.499 -20.857 10.309 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 0.269 -21.316 10.650 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -0.520 -21.083 9.379 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 6.078 -22.477 9.038 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 5.727 -23.333 9.281 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 6.804 -22.334 9.645 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -5.189 -25.966 9.643 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -5.045 -26.868 9.357 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -5.962 -25.680 9.155 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 1.466 -25.996 9.076 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 1.138 -25.725 8.218 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 1.618 -26.937 8.988 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -4.357 -28.766 9.063 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -3.949 -29.623 8.942 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -4.617 -28.751 9.984 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 4.610 -27.286 9.715 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 5.563 -27.202 9.687 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 4.450 -27.997 10.334 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 6.340 -30.778 10.280 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 6.532 -31.709 10.169 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 7.197 -30.353 10.270 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 9.920 -24.440 10.250 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 9.054 -24.545 10.644 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 10.296 -23.681 10.697 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -3.971 -22.778 8.805 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -4.792 -22.603 8.345 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -4.223 -22.851 9.726 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 3.294 -20.404 8.023 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 3.479 -20.738 8.901 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 4.141 -20.095 7.701 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 5.639 -19.119 7.267 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 6.316 -19.751 7.027 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 5.961 -18.717 8.075 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 4.325 -28.035 20.725 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 4.287 -28.681 21.430 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 4.002 -28.501 19.954 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -2.383 -23.970 20.853 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -2.753 -24.772 20.484 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -1.442 -24.139 20.900 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 2.714 -25.602 21.131 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 3.018 -26.288 20.537 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 3.436 -25.484 21.749 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 5.855 -31.208 21.459 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 5.998 -32.155 21.479 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 5.749 -31.001 20.530 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 6.732 -32.976 17.132 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 7.378 -33.305 17.757 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 7.242 -32.458 16.509 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 0.786 -29.160 18.709 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 1.402 -29.686 19.218 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 0.200 -29.800 18.305 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 0.389 -26.513 23.093 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -0.351 -25.915 23.196 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 1.103 -25.959 22.777 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -1.203 -24.549 23.880 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -1.209 -23.670 23.502 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -2.057 -24.632 24.305 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -5.082 -24.878 14.662 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.354 -24.649 13.773 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -5.037 -24.040 15.122 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 9.640 -25.008 24.986 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 9.780 -25.599 24.247 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 9.808 -24.135 24.630 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 4.167 -29.588 11.797 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 4.868 -29.566 12.448 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 4.469 -30.216 11.141 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -0.836 -27.206 17.593 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -1.166 -27.576 16.774 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -0.248 -27.876 17.939 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -0.469 -28.437 21.226 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 0.096 -28.316 20.463 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -0.150 -27.800 21.865 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -1.846 -28.136 15.182 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -2.138 -27.368 14.691 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -2.520 -28.796 15.019 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 11.278 -22.558 11.585 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 11.351 -21.619 11.755 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 12.183 -22.863 11.528 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -6.002 -22.993 20.881 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.056 -23.137 20.862 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -6.115 -22.209 21.418 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 3.174 -22.753 25.439 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 3.261 -21.927 25.914 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 2.310 -23.083 25.688 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 6.690 -19.827 12.248 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 7.065 -20.571 11.777 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 6.694 -20.097 13.166 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 7.867 -27.641 11.025 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 7.909 -27.864 10.095 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 8.716 -27.243 11.215 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.797 -30.793 17.043 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -1.690 -31.134 16.984 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -0.346 -31.170 16.287 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 4.739 -30.377 15.860 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 4.330 -29.562 15.568 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 5.459 -30.517 15.245 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 5.743 -30.931 18.674 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 5.548 -30.326 17.959 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 5.925 -31.765 18.239 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 5.007 -29.293 23.345 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 5.331 -29.924 22.702 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 4.567 -29.828 24.006 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 0.266 -31.737 14.612 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 1.198 -31.608 14.790 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 0.051 -31.067 13.963 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -1.060 -30.542 12.179 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -1.602 -30.922 11.488 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -0.226 -30.348 11.750 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 9.477 -18.459 27.670 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 9.677 -18.035 26.835 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 10.133 -18.116 28.277 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 3.105 -30.578 20.016 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 3.669 -31.125 19.469 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 2.957 -31.100 20.805 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 9.425 -26.844 22.901 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 10.067 -26.387 22.358 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 8.595 -26.731 22.439 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 3.795 -25.793 25.352 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 3.449 -26.174 26.158 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 3.595 -24.859 25.423 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 6.891 -31.296 13.975 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 7.783 -31.433 14.294 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 6.948 -30.505 13.438 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -2.600 -26.682 19.884 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -1.855 -26.684 19.283 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -2.522 -27.506 20.366 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 6.045 -23.331 25.302 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 5.144 -23.148 25.034 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 6.079 -23.072 26.223 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 10.072 -22.300 14.134 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 9.699 -23.126 14.444 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 10.349 -22.483 13.237 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 7.232 -27.492 21.156 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 6.304 -27.724 21.129 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 7.683 -28.269 20.826 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -4.470 -28.302 11.876 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -3.854 -27.675 12.255 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -5.332 -27.986 12.147 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 1.717 -21.352 23.180 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 2.080 -20.497 22.947 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 2.249 -21.644 23.921 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 5.261 -25.253 22.881 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 4.835 -25.480 23.707 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 5.842 -25.991 22.698 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 7.464 -24.324 11.955 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 7.817 -24.704 12.759 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 6.515 -24.417 12.041 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 7.920 -20.701 25.350 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 7.318 -21.256 24.855 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 8.201 -20.034 24.724 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -4.307 -21.663 23.192 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -4.090 -22.595 23.161 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -4.060 -21.389 24.076 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -3.055 -26.389 13.368 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -3.741 -26.037 13.935 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -2.532 -25.626 13.122 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 2.761 -32.347 15.579 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 3.573 -31.843 15.625 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 2.516 -32.492 16.493 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 8.103 -29.703 19.695 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 7.306 -30.118 19.366 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 8.548 -30.394 20.186 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -4.385 -22.389 16.215 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -5.217 -21.916 16.242 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -3.839 -21.879 15.616 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 3.593 -21.349 10.540 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 2.949 -21.980 10.862 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 4.355 -21.880 10.308 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 6.078 -22.477 27.894 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 5.727 -23.333 28.137 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 6.804 -22.334 28.501 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 8.197 -21.532 10.774 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 8.480 -22.326 11.227 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 8.937 -21.299 10.213 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 4.504 -24.575 10.367 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 4.236 -24.395 11.268 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 4.298 -25.501 10.236 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 7.201 -26.080 25.315 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 7.946 -25.492 25.195 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 6.444 -25.498 25.378 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 1.372 -29.407 11.200 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 1.192 -29.561 10.272 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 2.323 -29.299 11.244 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 10.762 -27.052 10.645 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 10.489 -27.477 9.832 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 10.802 -26.121 10.428 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -5.162 -24.080 11.684 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -4.248 -24.001 11.957 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -5.155 -24.767 11.017 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -6.513 -18.687 16.761 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.160 -19.149 16.228 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -6.158 -19.359 17.344 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -5.643 -20.606 18.566 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -5.977 -21.487 18.738 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -5.421 -20.261 19.430 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 11.906 -19.797 21.546 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 11.884 -19.612 22.485 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 12.596 -19.228 21.205 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 11.469 -20.230 24.468 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 10.982 -20.965 24.097 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 12.018 -20.623 25.146 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 11.221 -26.183 14.620 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 12.071 -25.762 14.748 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 11.226 -26.923 15.228 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 11.615 -28.130 16.444 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 10.889 -28.609 16.842 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 12.196 -27.924 17.176 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 11.374 -25.345 21.392 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 12.208 -25.723 21.111 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 11.486 -24.402 21.273 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 9.861 -22.467 23.699 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 9.213 -22.142 24.324 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 9.343 -22.907 23.024 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 11.883 -28.229 12.835 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 11.362 -27.872 12.116 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 11.850 -27.554 13.513 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 9.402 -29.609 17.007 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 9.252 -30.554 16.987 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 9.048 -29.328 17.851 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 9.112 -32.026 15.469 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 9.392 -32.933 15.594 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 9.871 -31.592 15.080 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -1.017 -21.803 23.920 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -1.442 -20.994 23.637 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -0.112 -21.718 23.618 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 3.294 -20.404 26.879 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 3.479 -20.738 27.757 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 4.141 -20.095 26.557 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 5.639 -19.119 26.123 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 6.316 -19.751 25.883 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 5.961 -18.717 26.931 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -3.615 -18.547 23.967 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -4.335 -18.107 23.516 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -3.981 -18.798 24.816 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -1.148 -18.947 22.997 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -2.013 -18.875 23.401 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -1.203 -18.400 22.213 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -4.200 -19.924 20.878 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -4.219 -20.349 21.735 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -3.395 -20.242 20.469 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -4.949 -20.700 14.049 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -5.634 -20.738 13.381 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -4.946 -19.787 14.337 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 10.624 -19.927 15.126 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 10.430 -20.675 14.561 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 10.585 -19.169 14.542 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -3.131 -19.780 11.074 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -3.399 -19.493 11.947 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -2.360 -20.326 11.226 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 9.842 -21.176 27.276 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 9.060 -21.362 26.756 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 9.770 -20.247 27.493 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 0.411 -5.182 7.087 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 0.099 -4.400 7.543 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -0.239 -5.335 6.401 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -2.669 -8.984 6.316 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -2.599 -8.333 7.014 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -3.560 -8.881 5.981 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -1.350 -3.110 7.851 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -1.342 -3.246 6.903 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -2.266 -3.228 8.103 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -3.504 -5.594 6.184 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -3.287 -5.955 7.044 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -4.359 -5.968 5.974 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 3.778 -17.402 5.554 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 4.198 -17.817 6.307 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 2.845 -17.580 5.671 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 3.841 -11.346 8.492 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 3.278 -12.050 8.812 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 4.667 -11.466 8.959 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -3.044 -11.838 5.142 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -3.082 -11.438 6.010 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -3.535 -12.655 5.232 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -2.925 -7.129 8.422 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -2.192 -6.875 8.983 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -3.705 -6.925 8.937 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -5.592 -9.365 6.343 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -5.369 -9.783 7.175 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -6.194 -9.978 5.921 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 1.425 -9.848 8.556 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 1.129 -10.014 7.661 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 2.356 -10.068 8.546 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -3.958 -14.612 5.901 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -4.851 -14.273 5.834 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -4.057 -15.467 6.319 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 3.297 -12.505 5.908 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 3.416 -11.931 6.665 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 3.952 -13.193 6.023 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -5.096 -0.920 8.689 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -4.556 -1.137 9.448 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -5.577 -1.726 8.499 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -0.499 -2.001 10.309 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 0.269 -2.460 10.650 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -0.520 -2.227 9.379 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -5.189 -7.110 9.643 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -5.045 -8.012 9.357 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -5.962 -6.824 9.155 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 1.466 -7.140 9.076 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 1.138 -6.869 8.218 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 1.618 -8.081 8.988 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -0.410 -10.901 6.437 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -1.028 -10.226 6.718 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -0.066 -10.580 5.604 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 4.610 -8.430 9.715 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 5.563 -8.346 9.687 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 4.450 -9.141 10.334 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -0.070 -13.546 7.520 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 0.080 -14.275 6.917 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -0.068 -12.769 6.961 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 0.342 -15.176 5.012 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 0.878 -14.725 4.360 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -0.510 -15.284 4.590 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 6.340 -11.922 10.280 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 6.532 -12.853 10.169 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 7.197 -11.497 10.270 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 1.148 -17.720 5.444 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 1.050 -16.773 5.338 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 0.405 -18.092 4.968 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 2.412 -13.398 9.007 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 2.176 -13.618 9.909 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 1.629 -13.605 8.498 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 5.128 -14.271 8.083 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 4.180 -14.239 8.215 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 5.440 -14.896 8.737 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 6.762 -15.637 10.088 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 6.665 -16.589 10.082 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 6.440 -15.368 10.949 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -3.411 -14.427 9.136 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -3.200 -15.134 8.525 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -3.523 -14.865 9.980 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 1.370 -18.426 8.115 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 2.082 -19.066 8.101 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 1.269 -18.159 7.201 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -5.965 -13.404 8.302 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -5.046 -13.526 8.538 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -6.415 -14.154 8.691 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.971 -3.922 8.805 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -4.792 -3.747 8.345 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -4.223 -3.995 9.726 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -3.615 0.309 5.111 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -4.335 0.749 4.660 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -3.981 0.058 5.960 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -3.729 -17.076 8.009 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -4.095 -17.841 8.452 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -2.816 -17.047 8.296 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 6.666 -18.393 9.727 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 6.742 -18.819 10.581 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 7.559 -18.379 9.385 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 5.392 -8.434 17.306 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 5.481 -7.490 17.174 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 4.753 -8.709 16.648 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 8.031 -6.240 19.027 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 7.590 -6.960 19.477 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 8.018 -5.519 19.657 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 5.142 -1.135 19.239 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 5.762 -1.812 18.966 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 4.934 -1.353 20.147 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 2.714 -6.746 21.131 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 3.018 -7.432 20.537 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 3.436 -6.628 21.749 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 11.377 -15.145 21.992 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 11.426 -14.535 22.728 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 11.803 -14.684 21.269 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 11.769 -13.667 24.228 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 11.080 -13.009 24.133 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 11.784 -13.864 25.165 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -2.180 -15.333 22.805 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -2.399 -14.803 22.039 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -2.848 -15.106 23.453 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 5.189 -5.833 16.349 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 4.893 -6.155 15.498 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 4.865 -4.933 16.391 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 0.389 -7.657 23.093 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -0.351 -7.059 23.196 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 1.103 -7.103 22.777 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -1.203 -5.693 23.880 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -1.209 -4.814 23.502 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -2.057 -5.776 24.305 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 8.843 -16.114 22.792 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 8.107 -15.503 22.754 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 9.527 -15.699 22.266 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 6.795 -2.619 18.000 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 7.220 -3.326 17.515 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 7.112 -1.818 17.583 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 7.954 -4.718 16.509 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 7.697 -5.408 15.897 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 8.025 -5.161 17.354 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 4.113 -9.190 14.758 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 3.401 -8.655 14.407 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 4.804 -9.134 14.098 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 4.167 -10.732 11.797 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 4.868 -10.710 12.448 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 4.469 -11.360 11.141 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 11.482 -9.812 23.052 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 10.830 -9.117 23.141 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 11.947 -9.602 22.242 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 7.519 -8.980 15.710 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 6.787 -8.752 16.283 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 7.966 -9.694 16.165 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 7.416 -10.806 24.778 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 7.496 -10.043 25.350 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 6.815 -10.527 24.087 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 5.840 -4.078 21.960 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 5.599 -3.416 22.608 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 5.642 -4.912 22.385 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 0.411 -5.182 25.943 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 0.099 -4.400 26.399 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -0.239 -5.335 25.257 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 6.390 -9.818 13.395 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 6.969 -9.668 14.142 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 6.804 -9.347 12.672 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -2.669 -8.984 25.172 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -2.599 -8.333 25.870 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -3.560 -8.881 24.837 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 4.116 -3.081 16.830 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 4.590 -2.786 17.608 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 3.553 -2.343 16.597 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 10.088 -18.068 13.208 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 9.189 -17.929 13.503 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 10.340 -17.237 12.806 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -5.753 -6.917 23.997 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -6.254 -6.945 23.182 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -5.747 -7.823 24.307 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -6.002 -4.137 20.881 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -5.056 -4.281 20.862 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -6.115 -3.353 21.418 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 3.588 -0.125 15.245 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 3.513 -0.246 14.299 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 3.621 0.825 15.364 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 6.359 -1.045 14.997 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 5.424 -0.945 15.176 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 6.639 -1.754 15.575 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 9.347 -11.978 27.043 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 8.940 -11.497 26.323 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 9.388 -12.883 26.736 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -3.504 -5.594 25.040 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -3.287 -5.955 25.900 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -4.359 -5.968 24.830 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -0.885 -17.124 21.036 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -1.746 -17.211 20.628 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -0.907 -16.268 21.463 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 3.778 -17.402 24.410 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 4.198 -17.817 25.163 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 2.845 -17.580 24.527 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 7.104 -13.646 25.264 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 6.590 -13.772 26.061 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 6.949 -12.734 25.019 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 3.841 -11.346 27.348 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 3.278 -12.050 27.668 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 4.667 -11.466 27.815 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -3.044 -11.838 23.998 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -3.082 -11.438 24.866 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -3.535 -12.655 24.088 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -6.436 -14.722 17.848 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -5.805 -14.751 18.568 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -5.986 -15.147 17.118 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 5.007 -10.437 23.345 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 5.331 -11.068 22.702 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 4.567 -10.972 24.006 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -2.925 -7.129 27.278 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -2.192 -6.875 27.839 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -3.705 -6.925 27.793 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 1.731 -13.334 22.430 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 0.896 -12.880 22.540 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 2.255 -13.058 23.182 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 9.425 -7.988 22.901 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 10.067 -7.531 22.358 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 8.595 -7.875 22.439 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 6.173 -14.307 12.314 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 5.235 -14.195 12.163 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 6.470 -13.450 12.620 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 3.795 -6.937 25.352 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 3.449 -7.318 26.158 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 3.595 -6.003 25.423 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 6.891 -12.440 13.975 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 7.783 -12.577 14.294 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 6.948 -11.649 13.438 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 4.401 -5.662 13.140 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 4.106 -4.836 13.522 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 3.698 -6.282 13.336 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -5.592 -9.365 25.199 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -5.369 -9.783 26.031 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -6.194 -9.978 24.777 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 11.776 -12.230 13.669 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 11.222 -12.626 12.997 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 11.877 -11.320 13.392 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 1.717 -2.496 23.180 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 2.080 -1.641 22.947 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 2.249 -2.788 23.921 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 5.261 -6.397 22.881 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 4.835 -6.624 23.707 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 5.842 -7.135 22.698 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 7.464 -5.468 11.955 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 7.817 -5.848 12.759 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 6.515 -5.561 12.041 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -3.958 -14.612 24.757 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -4.851 -14.273 24.690 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -4.057 -15.467 25.175 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 8.330 -6.795 14.181 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 8.053 -7.523 14.737 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 9.257 -6.676 14.387 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -4.307 -2.807 23.192 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -4.090 -3.739 23.161 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -4.060 -2.533 24.076 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 1.555 -4.356 10.402 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 1.794 -5.104 9.854 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 1.286 -4.744 11.234 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 4.777 -14.871 23.647 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 5.475 -14.797 24.297 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 4.396 -15.735 23.802 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 3.230 -3.088 13.607 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 2.413 -2.591 13.660 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 3.759 -2.613 12.967 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 3.297 -12.505 24.764 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 3.416 -11.931 25.521 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 3.952 -13.193 24.879 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 9.501 -14.598 25.599 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 8.585 -14.335 25.511 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 9.837 -14.601 24.702 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -3.315 -17.473 20.054 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -3.544 -17.414 19.127 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -3.758 -18.265 20.361 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 3.593 -2.493 10.540 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 2.949 -3.124 10.862 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 4.355 -3.024 10.308 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -0.848 -6.766 10.631 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -0.784 -7.560 11.162 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -0.195 -6.885 9.942 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 4.504 -5.719 10.367 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 4.236 -5.539 11.268 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 4.298 -6.645 10.236 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 7.201 -7.224 25.315 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 7.946 -6.636 25.195 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 6.444 -6.642 25.378 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.357 -9.910 27.919 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -3.949 -10.767 27.798 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -4.617 -9.895 28.840 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -0.410 -10.901 25.293 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -1.028 -10.226 25.574 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -0.066 -10.580 24.460 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 1.372 -10.551 11.200 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 1.192 -10.705 10.272 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 2.323 -10.443 11.244 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -0.070 -13.546 26.376 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 0.080 -14.275 25.773 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -0.068 -12.769 25.817 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 0.342 -15.176 23.868 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 0.878 -14.725 23.216 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -0.510 -15.284 23.446 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 1.924 -9.737 24.108 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 2.675 -9.893 23.535 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 1.585 -8.885 23.832 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 1.148 -17.720 24.300 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 1.050 -16.773 24.194 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 0.405 -18.092 23.824 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 5.128 -14.271 26.939 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 4.180 -14.239 27.071 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 5.440 -14.896 27.593 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 1.370 -18.426 26.971 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 2.082 -19.066 26.957 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 1.269 -18.159 26.057 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 1.270 0.140 12.201 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 2.203 0.298 12.345 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 1.006 0.815 11.576 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 11.615 -9.274 16.444 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 10.889 -9.753 16.842 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 12.196 -9.068 17.176 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 11.374 -6.489 21.392 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 12.208 -6.867 21.111 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 11.486 -5.546 21.273 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 9.112 -13.170 15.469 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 9.392 -14.077 15.594 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 9.871 -12.736 15.080 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 9.753 -11.852 23.681 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 8.910 -11.584 24.047 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 10.196 -11.030 23.470 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -5.965 -13.404 27.158 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -5.046 -13.526 27.394 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -6.415 -14.154 27.547 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 9.726 -15.907 15.518 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 9.908 -16.356 16.343 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 9.126 -16.492 15.054 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -4.744 -15.092 20.049 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -4.299 -15.884 20.351 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -4.278 -14.376 20.480 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -6.163 -17.097 23.517 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -6.828 -17.343 24.160 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -6.606 -16.475 22.940 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -1.017 -2.947 23.920 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -1.442 -2.138 23.637 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -0.112 -2.862 23.618 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 10.557 -17.673 25.203 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 9.744 -17.348 24.815 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 10.790 -18.433 24.670 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -3.615 0.309 23.967 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -4.335 0.749 23.516 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -3.981 0.058 24.816 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -1.148 -0.091 22.997 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -2.013 -0.019 23.401 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -1.203 0.456 22.213 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -4.200 -1.068 20.878 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -4.219 -1.493 21.735 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -3.395 -1.386 20.469 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.059 -2.358 19.533 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.278 -3.274 19.702 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -1.235 -2.218 19.999 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 0.478 -1.888 20.381 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 0.691 -2.776 20.094 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 0.543 -1.922 21.336 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 10.856 -16.978 17.972 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 11.468 -17.492 17.445 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 11.239 -16.100 17.995 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -3.687 -17.590 17.348 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -4.464 -17.824 16.840 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -3.156 -18.387 17.356 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -4.850 -17.792 13.151 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -4.411 -17.181 12.560 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -5.484 -17.254 13.625 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 7.803 -17.607 14.503 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 7.100 -16.993 14.293 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 7.358 -18.445 14.634 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 3.915 -0.634 12.446 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 4.781 -0.268 12.268 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 3.668 -1.074 11.633 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 6.666 -18.393 28.583 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 6.742 -18.819 29.437 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 7.559 -18.379 28.241 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -4.307 16.049 -14.520 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -4.090 15.117 -14.551 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -4.060 16.323 -13.636 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -5.189 11.746 -9.213 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -5.045 10.844 -9.499 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -5.962 12.032 -9.701 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -3.971 14.934 -10.051 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -4.792 15.109 -10.511 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -4.223 14.861 -9.130 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -3.615 19.165 -13.745 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -4.335 19.605 -14.196 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -3.981 18.914 -12.896 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -5.082 12.834 -4.194 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -5.354 13.063 -5.083 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.037 13.672 -3.734 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -6.002 14.719 2.025 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -5.056 14.575 2.006 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -6.115 15.503 2.562 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -2.758 17.520 -1.830 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -2.606 17.172 -0.951 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.609 17.164 -2.085 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -0.114 17.233 -2.446 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -1.064 17.338 -2.394 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 0.237 18.053 -2.101 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -3.958 4.244 5.901 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -4.851 4.583 5.834 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -4.057 3.389 6.319 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -4.307 16.049 4.336 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -4.090 15.117 4.305 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -4.060 16.323 5.220 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -2.439 13.937 -6.591 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -1.847 14.636 -6.315 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -1.980 13.504 -7.310 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -4.385 15.323 -2.641 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -5.217 15.796 -2.614 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -3.839 15.833 -3.240 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -5.096 17.936 8.689 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -4.556 17.719 9.448 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -5.577 17.130 8.499 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -5.189 11.746 9.643 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -5.045 10.844 9.357 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -5.962 12.032 9.155 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -4.357 8.946 9.063 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -3.949 8.089 8.942 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -4.617 8.961 9.984 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -0.070 5.310 7.520 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 0.080 4.581 6.917 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -0.068 6.087 6.961 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -1.592 6.508 9.431 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -2.359 5.976 9.221 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -0.913 6.198 8.832 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 2.412 5.458 9.007 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 2.176 5.238 9.909 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 1.629 5.251 8.498 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 1.370 0.430 8.115 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 2.082 -0.210 8.101 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 1.269 0.697 7.201 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 1.723 2.113 10.169 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 1.592 1.637 9.348 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 1.124 2.857 10.113 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -5.162 13.632 -7.172 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -4.248 13.711 -6.899 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -5.155 12.945 -7.839 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -5.965 5.452 8.302 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -5.046 5.330 8.538 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -6.415 4.702 8.691 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -6.163 1.759 4.661 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -6.828 1.513 5.304 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -6.606 2.381 4.084 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -1.017 15.909 5.064 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -1.442 16.718 4.781 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -0.112 15.994 4.762 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -3.615 19.165 5.111 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -4.335 19.605 4.660 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -3.981 18.914 5.960 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -1.148 18.765 4.141 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -2.013 18.837 4.545 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -1.203 19.312 3.357 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -4.200 17.788 2.022 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -4.219 17.363 2.879 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -3.395 17.470 1.613 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -2.059 16.498 0.677 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -2.278 15.582 0.846 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -1.235 16.638 1.143 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 0.478 16.968 1.525 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 0.691 16.080 1.238 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 0.543 16.934 2.480 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -4.949 17.012 -4.807 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -5.634 16.974 -5.475 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -4.946 17.925 -4.519 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -3.131 17.932 -7.782 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.399 18.219 -6.909 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.360 17.386 -7.630 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -2.383 13.742 20.853 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -2.753 12.940 20.484 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -1.442 13.573 20.900 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -0.990 4.605 18.731 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -0.947 5.465 18.313 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -1.448 4.053 18.098 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 0.786 8.552 18.709 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 1.402 8.026 19.218 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 0.200 7.912 18.305 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 0.389 11.199 23.093 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -0.351 11.797 23.196 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 1.103 11.753 22.777 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -2.586 5.415 20.758 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -1.973 6.048 21.131 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -2.074 4.943 20.101 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -1.203 13.163 23.880 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -1.209 14.042 23.502 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -2.057 13.080 24.305 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -5.082 12.834 14.662 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -5.354 13.063 13.773 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -5.037 13.672 15.122 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 1.846 0.829 20.258 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 1.729 -0.120 20.204 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 0.991 1.161 20.531 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -0.836 10.506 17.593 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -1.166 10.136 16.774 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -0.248 9.836 17.939 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 0.531 13.934 20.274 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 0.436 13.356 19.517 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 1.260 13.563 20.770 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -0.469 9.275 21.226 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 0.096 9.396 20.463 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -0.150 9.912 21.865 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -2.669 9.872 25.172 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -2.599 10.523 25.870 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -3.560 9.975 24.837 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -1.846 9.576 15.182 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -2.138 10.344 14.691 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -2.520 8.916 15.019 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -5.753 11.939 23.997 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -6.254 11.911 23.182 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -5.747 11.033 24.307 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -6.002 14.719 20.881 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -5.056 14.575 20.862 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -6.115 15.503 21.418 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -3.504 13.262 25.040 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -3.287 12.901 25.900 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -4.359 12.888 24.830 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -0.885 1.732 21.036 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -1.746 1.645 20.628 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -0.907 2.588 21.463 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 3.440 3.947 11.695 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 3.186 3.966 12.618 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 3.183 3.075 11.394 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -0.794 6.698 22.131 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -1.436 6.657 22.840 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -0.757 7.624 21.893 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -0.797 6.919 17.043 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -1.690 6.578 16.984 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.346 6.542 16.287 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -3.044 7.018 23.998 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -3.082 7.418 24.866 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -3.535 6.201 24.088 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 0.322 4.392 10.796 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -0.109 3.947 11.526 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -0.396 4.764 10.284 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -3.387 5.975 16.956 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -4.276 6.075 16.616 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -3.091 5.133 16.610 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 0.266 5.975 14.612 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 1.198 6.104 14.790 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 0.051 6.645 13.963 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -1.060 7.170 12.179 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -1.602 6.790 11.488 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -0.226 7.364 11.750 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -2.925 11.727 27.278 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -2.192 11.981 27.839 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -3.705 11.931 27.793 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -1.893 3.270 16.434 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -2.210 2.368 16.399 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -1.112 3.272 15.882 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -5.592 9.491 25.199 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -5.369 9.073 26.031 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -6.194 8.878 24.777 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -0.225 14.548 17.289 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 0.302 15.321 17.088 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -1.105 14.773 16.987 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -4.470 9.410 11.876 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -3.854 10.037 12.255 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -5.332 9.726 12.147 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 1.202 12.211 16.865 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 0.961 13.136 16.907 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 0.462 11.752 17.261 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -4.307 16.049 23.192 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -4.090 15.117 23.161 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -4.060 16.323 24.076 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -3.055 11.323 13.368 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -3.741 11.675 13.935 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -2.532 12.086 13.122 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -0.698 3.509 13.205 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -0.781 4.398 13.551 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 0.192 3.244 13.436 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -4.123 6.601 11.381 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -4.168 7.540 11.560 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -5.011 6.365 11.111 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -3.315 1.383 20.054 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -3.544 1.442 19.127 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -3.758 0.591 20.361 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -4.385 15.323 16.215 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -5.217 15.796 16.242 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -3.839 15.833 15.616 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -5.162 13.632 11.684 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -4.248 13.711 11.957 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -5.155 12.945 11.017 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -6.513 19.025 16.761 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -7.160 18.563 16.228 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -6.158 18.353 17.344 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -5.643 17.106 18.566 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -5.977 16.225 18.738 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -5.421 17.451 19.430 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -4.744 3.764 20.049 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -4.299 2.972 20.351 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -4.278 4.480 20.480 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -6.440 6.763 21.118 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -5.948 6.542 20.328 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -6.078 7.604 21.399 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -6.163 1.759 23.517 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -6.828 1.513 24.160 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -6.606 2.381 22.940 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -4.200 17.788 20.878 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -4.219 17.363 21.735 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -3.395 17.470 20.469 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -2.059 16.498 19.533 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -2.278 15.582 19.702 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -1.235 16.638 19.999 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 0.893 1.193 17.161 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 1.767 1.581 17.131 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 0.757 0.978 18.084 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -4.949 17.012 14.049 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -5.634 16.974 13.381 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -4.946 17.925 14.337 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 2.037 3.273 14.051 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 2.215 2.627 14.734 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 1.983 4.107 14.518 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -1.203 32.019 -13.832 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -1.209 32.898 -14.210 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -2.057 31.936 -13.407 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 0.411 32.530 -11.769 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 0.099 33.312 -11.313 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -0.239 32.377 -12.455 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -2.669 28.728 -12.540 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -2.599 29.379 -11.842 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -3.560 28.831 -12.875 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -1.350 34.602 -11.005 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -1.342 34.466 -11.953 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -2.266 34.484 -10.753 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -5.753 30.795 -13.715 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -6.254 30.767 -14.530 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -5.747 29.889 -13.405 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -6.002 33.575 -16.831 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -5.056 33.431 -16.850 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -6.115 34.359 -16.294 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -3.504 32.118 -12.672 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -3.287 31.757 -11.812 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -4.359 31.744 -12.882 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -3.044 25.874 -13.714 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -3.082 26.274 -12.846 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -3.535 25.057 -13.624 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -2.925 30.583 -10.434 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -2.192 30.837 -9.873 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -3.705 30.787 -9.919 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -5.592 28.347 -12.513 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -5.369 27.929 -11.681 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -6.194 27.734 -12.935 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 1.425 27.864 -10.300 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 1.129 27.698 -11.195 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.356 27.644 -10.310 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -3.958 23.100 -12.955 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -4.851 23.439 -13.022 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -4.057 22.245 -12.537 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -4.307 34.905 -14.520 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -4.090 33.973 -14.551 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -4.060 35.179 -13.636 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -0.499 35.711 -8.547 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 0.269 35.252 -8.206 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -0.520 35.485 -9.477 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 1.466 30.572 -9.780 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 1.138 30.843 -10.638 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 1.618 29.631 -9.868 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -0.410 26.811 -12.419 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -1.028 27.486 -12.138 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -0.066 27.132 -13.252 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -0.070 24.166 -11.336 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 0.080 23.437 -11.939 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -0.068 24.943 -11.895 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -1.592 25.364 -9.425 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -2.359 24.832 -9.635 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -0.913 25.054 -10.024 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -3.411 23.285 -9.720 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -3.200 22.578 -10.331 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -3.523 22.847 -8.876 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -5.965 24.308 -10.554 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -5.046 24.186 -10.318 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -6.415 23.558 -10.165 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -6.163 20.615 -14.195 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -6.828 20.369 -13.552 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -6.606 21.237 -14.772 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -1.017 34.765 -13.792 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -1.442 35.574 -14.075 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -0.112 34.850 -14.094 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -3.615 38.021 -13.745 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -4.335 38.461 -14.196 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -3.981 37.770 -12.896 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -1.148 37.621 -14.715 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -2.013 37.693 -14.311 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -1.203 38.168 -15.499 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -4.200 36.644 -16.834 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -4.219 36.219 -15.977 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -3.395 36.326 -17.243 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -3.729 20.636 -10.847 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -4.095 19.871 -10.404 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -2.816 20.665 -10.560 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -1.756 19.987 -9.311 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -0.857 19.713 -9.496 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -2.142 19.244 -8.847 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 4.325 28.533 1.869 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 4.287 27.887 2.574 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 4.002 28.067 1.098 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 5.142 36.577 0.383 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 5.762 35.900 0.110 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 4.934 36.359 1.291 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 2.714 30.966 2.275 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 3.018 30.280 1.681 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 3.436 31.084 2.893 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -0.990 23.461 -0.125 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -0.947 24.321 -0.543 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -1.448 22.909 -0.758 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 5.189 31.879 -2.507 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 4.893 31.557 -3.358 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 4.865 32.779 -2.465 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 0.389 30.055 4.237 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -0.351 30.653 4.340 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 1.103 30.609 3.921 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -1.203 32.019 5.024 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -1.209 32.898 4.646 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -2.057 31.936 5.449 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 1.846 19.685 1.402 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 1.729 18.736 1.348 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 0.991 20.017 1.675 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 6.795 35.093 -0.856 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 7.220 34.386 -1.341 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 7.112 35.894 -1.273 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 4.113 28.522 -4.098 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 3.401 29.057 -4.449 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 4.804 28.578 -4.758 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 0.411 32.530 7.087 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 0.099 33.312 7.543 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -0.239 32.377 6.401 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 4.116 34.631 -2.026 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 4.590 34.926 -1.248 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 3.553 35.369 -2.259 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -1.350 34.602 7.851 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -1.342 34.466 6.903 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -2.266 34.484 8.103 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 3.588 37.587 -3.611 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 3.513 37.466 -4.557 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 3.621 38.537 -3.492 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 6.359 36.667 -3.859 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 5.424 36.767 -3.680 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 6.639 35.958 -3.281 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -0.885 20.588 2.180 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -1.746 20.501 1.772 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -0.907 21.444 2.607 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -0.794 25.554 3.275 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -1.436 25.513 3.984 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -0.757 26.480 3.037 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 4.739 26.191 -2.996 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 4.330 27.006 -3.288 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 5.459 26.051 -3.611 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 0.322 23.248 -8.060 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -0.109 22.803 -7.330 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -0.396 23.620 -8.572 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 1.785 23.202 -0.727 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 0.874 23.259 -0.438 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 2.290 23.142 0.084 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -2.925 30.583 8.422 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -2.192 30.837 8.983 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -3.705 30.787 8.937 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 3.105 25.990 1.160 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 3.669 25.443 0.613 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 2.957 25.468 1.949 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -1.893 22.126 -2.422 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -2.210 21.224 -2.457 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -1.112 22.128 -2.974 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 1.731 24.378 3.574 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 0.896 24.832 3.684 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 2.255 24.654 4.326 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 2.275 30.591 -4.741 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 1.531 30.084 -5.064 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 2.141 30.640 -3.795 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 4.401 32.050 -5.716 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 4.106 32.876 -5.334 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 3.698 31.430 -5.520 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 1.717 35.216 4.324 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 2.080 36.071 4.091 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 2.249 34.924 5.065 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -4.307 34.905 4.336 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -4.090 33.973 4.305 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -4.060 35.179 5.220 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 1.555 33.356 -8.454 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 1.794 32.608 -9.002 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 1.286 32.968 -7.622 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 0.492 32.926 -5.998 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 0.639 32.406 -5.208 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 0.489 33.833 -5.692 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 3.230 34.624 -5.249 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 2.413 35.121 -5.196 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 3.759 35.099 -5.889 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 2.761 24.221 -3.277 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 3.573 24.725 -3.231 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 2.516 24.076 -2.363 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -0.698 22.365 -5.651 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -0.781 23.254 -5.305 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 0.192 22.100 -5.420 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -5.096 36.792 8.689 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -4.556 36.575 9.448 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -5.577 35.986 8.499 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 3.593 35.219 -8.316 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 2.949 34.588 -7.994 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 4.355 34.688 -8.548 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -5.189 30.602 9.643 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -5.045 29.700 9.357 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -5.962 30.888 9.155 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -0.848 30.946 -8.225 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -0.784 30.152 -7.694 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -0.195 30.827 -8.914 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -4.357 27.802 9.063 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -3.949 26.945 8.942 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -4.617 27.817 9.984 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 0.301 28.918 -5.919 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -0.158 28.434 -5.233 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 0.556 28.250 -6.555 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -0.410 26.811 6.437 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -1.028 27.486 6.718 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -0.066 27.132 5.604 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 1.372 27.161 -7.656 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 1.192 27.007 -8.584 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 2.323 27.269 -7.612 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -0.070 24.166 7.520 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 0.080 23.437 6.917 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -0.068 24.943 6.961 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 0.342 22.536 5.012 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 0.878 22.987 4.360 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -0.510 22.428 4.590 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 1.924 27.975 5.252 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 2.675 27.819 4.679 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 1.585 28.827 4.976 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -1.592 25.364 9.431 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -2.359 24.832 9.221 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -0.913 25.054 8.832 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 1.148 19.992 5.444 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 1.050 20.939 5.338 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 0.405 19.620 4.968 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -3.411 23.285 9.136 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -3.200 22.578 8.525 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -3.523 22.847 9.980 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 1.270 37.852 -6.655 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 2.203 38.010 -6.511 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 1.006 38.527 -7.280 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -3.971 33.790 8.805 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -4.792 33.965 8.345 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -4.223 33.717 9.726 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -1.017 34.765 5.064 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -1.442 35.574 4.781 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -0.112 34.850 4.762 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -3.615 38.021 5.111 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -4.335 38.461 4.660 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -3.981 37.770 5.960 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -1.148 37.621 4.141 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -2.013 37.693 4.545 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -1.203 38.168 3.357 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 3.563 37.509 3.317 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 3.106 38.038 2.663 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 3.726 38.112 4.042 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 0.893 20.049 -1.695 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 1.767 20.437 -1.725 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 0.757 19.834 -0.772 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -2.989 21.836 -7.262 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -2.498 21.206 -7.790 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -2.366 22.132 -6.599 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 2.037 22.129 -4.805 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 2.215 21.483 -4.122 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 1.983 22.963 -4.338 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 3.915 37.078 -6.410 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 4.781 37.444 -6.588 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 3.668 36.638 -7.223 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -3.729 20.636 8.009 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -4.095 19.871 8.452 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -2.816 20.665 8.296 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -5.773 26.258 16.246 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -6.221 27.104 16.228 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -6.334 25.678 15.731 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -6.436 22.990 17.848 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -5.805 22.961 18.568 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -5.986 22.565 17.118 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -4.470 28.266 11.876 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -3.854 28.893 12.255 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -5.332 28.582 12.147 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -4.123 25.457 11.381 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -4.168 26.396 11.560 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -5.011 25.221 11.111 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -0.848 30.946 10.631 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -0.784 30.152 11.162 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -0.195 30.827 9.942 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -5.162 32.488 11.684 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -4.248 32.567 11.957 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -5.155 31.801 11.017 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -6.127 21.877 15.173 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -7.052 22.086 15.043 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -5.673 22.361 14.483 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -3.687 20.122 17.348 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -4.464 19.888 16.840 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -3.156 19.325 17.356 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -2.180 41.235 -14.907 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -2.399 41.765 -15.673 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -2.848 41.462 -14.259 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -3.044 44.730 -13.714 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -3.082 45.130 -12.846 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -3.535 43.913 -13.624 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -5.592 47.203 -12.513 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -5.369 46.785 -11.681 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -6.194 46.590 -12.935 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -3.958 41.956 -12.955 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -4.851 42.295 -13.022 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -4.057 41.101 -12.537 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -4.357 46.658 -9.793 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -3.949 45.801 -9.914 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -4.617 46.673 -8.872 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -0.070 43.022 -11.336 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 0.080 42.293 -11.939 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -0.068 43.799 -11.895 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 -1.592 44.220 -9.425 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -2.359 43.688 -9.635 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -0.913 43.910 -10.024 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 1.370 38.142 -10.741 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 2.082 37.502 -10.755 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 1.269 38.409 -11.655 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 1.723 39.825 -8.687 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 1.592 39.349 -9.508 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 1.124 40.569 -8.743 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -6.440 44.475 -16.594 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -5.948 44.254 -17.384 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -6.078 45.316 -16.313 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -6.163 39.471 -14.195 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -6.828 39.225 -13.552 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -6.606 40.093 -14.772 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -1.756 38.843 -9.311 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -0.857 38.569 -9.496 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -2.142 38.100 -8.847 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -5.773 45.114 -2.610 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -6.221 45.960 -2.628 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -6.334 44.534 -3.125 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -5.063 47.276 -0.484 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -4.849 46.506 0.043 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -4.325 47.365 -1.087 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -0.990 42.317 -0.125 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -0.947 43.177 -0.543 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -1.448 41.765 -0.758 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -4.370 44.714 0.637 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -3.716 44.164 1.069 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -4.346 44.440 -0.279 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 -2.180 41.235 3.949 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 -2.399 41.765 3.183 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 -2.848 41.462 4.597 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -2.586 43.127 1.902 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -1.973 43.760 2.275 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -2.074 42.655 1.245 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 1.846 38.541 1.402 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 1.729 37.592 1.348 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 0.991 38.873 1.675 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -0.885 39.444 2.180 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -1.746 39.357 1.772 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -0.907 40.300 2.607 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -0.797 44.631 -1.813 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -1.690 44.290 -1.872 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -0.346 44.254 -2.569 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 0.322 42.104 -8.060 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -0.109 41.659 -7.330 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -0.396 42.476 -8.572 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 1.785 42.058 -0.727 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 0.874 42.115 -0.438 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 2.290 41.998 0.084 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -3.387 43.687 -1.900 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -4.276 43.787 -2.240 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -3.091 42.845 -2.246 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 0.266 43.687 -4.244 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 1.198 43.816 -4.066 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 0.051 44.357 -4.893 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -1.060 44.882 -6.677 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -1.602 44.502 -7.368 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -0.226 45.076 -7.106 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -1.893 40.982 -2.422 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -2.210 40.080 -2.457 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -1.112 40.984 -2.974 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -4.470 47.122 -6.980 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -3.854 47.749 -6.601 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -5.332 47.438 -6.709 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -3.958 41.956 5.901 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -4.851 42.295 5.834 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -4.057 41.101 6.319 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 3.645 40.158 -2.339 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 3.298 40.776 -1.694 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 4.303 40.659 -2.820 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -0.698 41.221 -5.651 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -0.781 42.110 -5.305 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 0.192 40.956 -5.420 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -4.123 44.313 -7.475 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -4.168 45.252 -7.296 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -5.011 44.077 -7.745 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -3.315 39.095 1.198 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -3.544 39.154 0.271 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -3.758 38.303 1.505 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 1.148 38.848 5.444 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 1.050 39.795 5.338 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 0.405 38.476 4.968 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 -5.965 43.164 8.302 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 -5.046 43.042 8.538 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 -6.415 42.414 8.691 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -4.744 41.476 1.193 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -4.299 40.684 1.495 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -4.278 42.192 1.624 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -6.440 44.475 2.262 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -5.948 44.254 1.472 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -6.078 45.316 2.543 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 3.987 40.344 0.670 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 3.312 39.715 0.925 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 4.551 39.860 0.067 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -2.989 40.692 -7.262 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -2.498 40.062 -7.790 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -2.366 40.988 -6.599 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 2.037 40.985 -4.805 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 2.215 40.339 -4.122 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 1.983 41.819 -4.338 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -3.729 39.492 8.009 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -4.095 38.727 8.452 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -2.816 39.521 8.296 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 12.854 -22.993 20.881 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 13.800 -23.137 20.862 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 12.741 -22.209 21.418 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 12.343 -18.687 16.761 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 11.696 -19.149 16.228 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 12.698 -19.359 17.344 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 13.213 -20.606 18.566 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 12.879 -21.487 18.738 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 13.435 -20.261 19.430 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 14.656 -19.924 20.878 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 14.637 -20.349 21.735 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 15.461 -20.242 20.469 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 13.083 -11.454 16.246 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 12.635 -10.608 16.228 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 12.522 -12.034 15.731 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 13.793 -9.292 18.372 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 14.007 -10.062 18.899 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 14.531 -9.203 17.769 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 14.486 -11.854 19.493 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 15.140 -12.404 19.925 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 14.510 -12.128 18.577 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 12.420 -14.722 17.848 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 13.051 -14.751 18.568 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 12.870 -15.147 17.118 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 13.293 -8.675 21.017 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 13.477 -8.757 20.082 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 14.142 -8.799 21.441 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 14.112 -15.092 20.049 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 14.557 -15.884 20.351 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 14.578 -14.376 20.480 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 12.416 -12.093 21.118 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 12.908 -12.314 20.328 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 12.778 -11.252 21.399 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 12.729 -15.835 15.173 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 11.804 -15.626 15.043 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 13.183 -15.351 14.483 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 12.693 -17.097 23.517 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 12.028 -17.343 24.160 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 12.250 -16.475 22.940 0.00 0.00 WAT1 END