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 13:35:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 16.224 -5.600 10.137 1.00 5.42 ATOM 2 CB MET 1 17.563 -5.423 8.472 1.00 1.30 ATOM 3 HB1 MET 1 17.553 -4.962 7.491 1.00 38.17 ATOM 4 HB2 MET 1 17.860 -6.459 8.357 1.00 43.14 ATOM 5 CG MET 1 18.611 -4.745 9.340 1.00 51.00 ATOM 6 HG1 MET 1 19.559 -5.233 9.166 1.00 38.17 ATOM 7 HG2 MET 1 18.344 -4.860 10.384 1.00 21.24 ATOM 8 SD MET 1 18.777 -2.986 8.982 1.00 44.33 ATOM 9 CE MET 1 20.470 -2.917 8.401 1.00 25.22 ATOM 10 HE1 MET 1 20.721 -1.899 8.142 1.00 11.44 ATOM 11 HE2 MET 1 20.578 -3.547 7.530 1.00 2.35 ATOM 12 HE3 MET 1 21.132 -3.264 9.180 1.00 51.14 ATOM 13 C MET 1 15.530 -4.020 8.867 1.00 11.41 ATOM 14 O MET 1 15.287 -3.603 7.736 1.00 52.45 ATOM 15 N MET 1 15.330 -6.438 8.482 1.00 24.52 ATOM 16 HT1 MET 1 15.758 -7.375 8.645 1.00 38.17 ATOM 17 HT2 MET 1 15.229 -6.293 7.453 1.00 38.17 ATOM 18 HT3 MET 1 14.380 -6.434 8.913 1.00 38.17 ATOM 19 CA MET 1 16.157 -5.394 9.075 1.00 25.24 ATOM 20 N GLY 2 15.269 -3.320 9.967 1.00 4.43 ATOM 21 HN GLY 2 15.480 -3.693 10.852 1.00 38.17 ATOM 22 CA GLY 2 14.672 -2.000 9.883 1.00 50.22 ATOM 23 HA1 GLY 2 14.778 -1.595 8.884 1.00 38.17 ATOM 24 HA2 GLY 2 15.199 -1.351 10.568 1.00 52.35 ATOM 25 C GLY 2 13.202 -2.004 10.253 1.00 60.12 ATOM 26 O GLY 2 12.502 -2.993 10.032 1.00 14.42 ATOM 27 N HIS 3 12.733 -0.897 10.819 1.00 54.31 ATOM 28 HN HIS 3 13.343 -0.134 10.965 1.00 38.17 ATOM 29 CA HIS 3 11.336 -0.777 11.222 1.00 71.02 ATOM 30 HA HIS 3 11.083 -1.635 11.833 1.00 3.31 ATOM 31 CB HIS 3 11.124 0.503 12.031 1.00 44.02 ATOM 32 HB1 HIS 3 10.074 0.757 12.071 1.00 38.17 ATOM 33 HB2 HIS 3 11.659 1.313 11.559 1.00 71.23 ATOM 34 CG HIS 3 11.608 0.405 13.445 1.00 72.41 ATOM 35 ND1 HIS 3 11.800 1.505 14.253 1.00 14.31 ATOM 36 HD1 HIS 3 11.646 2.438 13.996 1.00 24.15 ATOM 37 CD2 HIS 3 11.937 -0.673 14.195 1.00 42.01 ATOM 38 HD2 HIS 3 11.905 -1.707 13.881 1.00 21.12 ATOM 39 CE1 HIS 3 12.228 1.109 15.438 1.00 13.24 ATOM 40 HE1 HIS 3 12.462 1.753 16.273 1.00 15.32 ATOM 41 NE2 HIS 3 12.319 -0.208 15.429 1.00 23.44 ATOM 42 HE2 HIS 3 12.525 -0.765 16.208 1.00 38.17 ATOM 43 C HIS 3 10.417 -0.781 10.004 1.00 51.22 ATOM 44 O HIS 3 10.879 -0.864 8.865 1.00 34.12 ATOM 45 N HIS 4 9.114 -0.691 10.251 1.00 10.13 ATOM 46 HN HIS 4 8.793 -0.638 11.181 1.00 38.17 ATOM 47 CA HIS 4 8.130 -0.684 9.175 1.00 60.25 ATOM 48 HA HIS 4 8.600 -1.029 8.260 1.00 34.14 ATOM 49 CB HIS 4 6.965 -1.614 9.514 1.00 31.21 ATOM 50 HB1 HIS 4 6.086 -1.327 8.957 1.00 38.17 ATOM 51 HB2 HIS 4 6.746 -1.538 10.569 1.00 71.45 ATOM 52 CG HIS 4 7.240 -3.055 9.210 1.00 10.31 ATOM 53 ND1 HIS 4 6.875 -4.084 10.052 1.00 64.45 ATOM 54 HD1 HIS 4 6.413 -3.985 10.911 1.00 2.31 ATOM 55 CD2 HIS 4 7.847 -3.635 8.148 1.00 34.24 ATOM 56 HD2 HIS 4 8.261 -3.126 7.289 1.00 50.11 ATOM 57 CE1 HIS 4 7.247 -5.236 9.521 1.00 4.15 ATOM 58 HE1 HIS 4 7.092 -6.212 9.957 1.00 41.45 ATOM 59 NE2 HIS 4 7.839 -4.991 8.366 1.00 13.01 ATOM 60 HE2 HIS 4 8.291 -5.660 7.810 1.00 38.17 ATOM 61 C HIS 4 7.612 0.728 8.921 1.00 52.21 ATOM 62 O HIS 4 7.788 1.279 7.834 1.00 50.32 ATOM 63 N HIS 5 6.971 1.309 9.931 1.00 63.32 ATOM 64 HN HIS 5 6.858 0.829 10.782 1.00 38.17 ATOM 65 CA HIS 5 6.427 2.657 9.817 1.00 42.21 ATOM 66 HA HIS 5 5.961 2.900 10.762 1.00 52.52 ATOM 67 CB HIS 5 7.546 3.659 9.530 1.00 61.10 ATOM 68 HB1 HIS 5 7.830 3.609 8.486 1.00 38.17 ATOM 69 HB2 HIS 5 8.405 3.408 10.137 1.00 32.53 ATOM 70 CG HIS 5 7.177 5.076 9.844 1.00 34.12 ATOM 71 ND1 HIS 5 6.683 5.471 11.070 1.00 71.24 ATOM 72 HD1 HIS 5 6.526 4.885 11.840 1.00 42.02 ATOM 73 CD2 HIS 5 7.233 6.195 9.085 1.00 71.24 ATOM 74 HD2 HIS 5 7.575 6.258 8.061 1.00 72.14 ATOM 75 CE1 HIS 5 6.450 6.771 11.050 1.00 53.04 ATOM 76 HE1 HIS 5 6.061 7.356 11.870 1.00 53.22 ATOM 77 NE2 HIS 5 6.776 7.234 9.856 1.00 14.44 ATOM 78 HE2 HIS 5 6.789 8.180 9.601 1.00 38.17 ATOM 79 C HIS 5 5.372 2.726 8.717 1.00 42.21 ATOM 80 O HIS 5 5.158 3.778 8.113 1.00 61.22 ATOM 81 N HIS 6 4.716 1.599 8.461 1.00 21.31 ATOM 82 HN HIS 6 4.894 0.794 8.999 1.00 38.17 ATOM 83 CA HIS 6 3.683 1.531 7.433 1.00 3.43 ATOM 84 HA HIS 6 4.116 1.891 6.504 1.00 4.30 ATOM 85 CB HIS 6 3.223 0.087 7.237 1.00 34.22 ATOM 86 HB1 HIS 6 2.262 0.074 6.736 1.00 38.17 ATOM 87 HB2 HIS 6 3.123 -0.389 8.201 1.00 51.21 ATOM 88 CG HIS 6 4.166 -0.737 6.416 1.00 4.32 ATOM 89 ND1 HIS 6 3.744 -1.656 5.479 1.00 33.04 ATOM 90 HD1 HIS 6 2.812 -1.862 5.258 1.00 25.22 ATOM 91 CD2 HIS 6 5.519 -0.774 6.394 1.00 23.20 ATOM 92 HD2 HIS 6 6.175 -0.180 6.983 1.00 31.24 ATOM 93 CE1 HIS 6 4.796 -2.225 4.918 1.00 54.31 ATOM 94 HE1 HIS 6 4.769 -2.984 4.150 1.00 33.41 ATOM 95 NE2 HIS 6 5.886 -1.707 5.455 1.00 55.20 ATOM 96 HE2 HIS 6 6.800 -2.019 5.290 1.00 38.17 ATOM 97 C HIS 6 2.493 2.412 7.801 1.00 51.11 ATOM 98 O HIS 6 1.864 2.220 8.842 1.00 12.51 ATOM 99 N HIS 7 2.189 3.378 6.940 1.00 45.41 ATOM 100 HN HIS 7 2.717 3.479 6.113 1.00 38.17 ATOM 101 CA HIS 7 1.074 4.289 7.174 1.00 24.14 ATOM 102 HA HIS 7 0.820 4.249 8.230 1.00 2.32 ATOM 103 CB HIS 7 1.476 5.722 6.822 1.00 34.41 ATOM 104 HB1 HIS 7 1.341 5.897 5.762 1.00 38.17 ATOM 105 HB2 HIS 7 2.519 5.866 7.068 1.00 4.41 ATOM 106 CG HIS 7 0.697 6.762 7.567 1.00 24.02 ATOM 107 ND1 HIS 7 0.154 7.874 6.960 1.00 73.05 ATOM 108 HD1 HIS 7 0.219 8.095 6.007 1.00 23.34 ATOM 109 CD2 HIS 7 0.371 6.854 8.878 1.00 61.13 ATOM 110 HD2 HIS 7 0.634 6.150 9.655 1.00 4.13 ATOM 111 CE1 HIS 7 -0.472 8.606 7.864 1.00 22.22 ATOM 112 HE1 HIS 7 -0.992 9.534 7.677 1.00 42.01 ATOM 113 NE2 HIS 7 -0.355 8.008 9.036 1.00 11.45 ATOM 114 HE2 HIS 7 -0.653 8.380 9.892 1.00 38.17 ATOM 115 C HIS 7 -0.146 3.875 6.358 1.00 33.53 ATOM 116 O HIS 7 -0.088 3.798 5.131 1.00 53.45 ATOM 117 N HIS 8 -1.250 3.607 7.048 1.00 35.23 ATOM 118 HN HIS 8 -1.247 3.692 8.030 1.00 38.17 ATOM 119 CA HIS 8 -2.485 3.200 6.387 1.00 33.21 ATOM 120 HA HIS 8 -2.283 2.998 5.340 1.00 71.02 ATOM 121 CB HIS 8 -3.038 1.928 7.031 1.00 13.22 ATOM 122 HB1 HIS 8 -4.071 1.788 6.734 1.00 38.17 ATOM 123 HB2 HIS 8 -2.992 2.025 8.106 1.00 41.13 ATOM 124 CG HIS 8 -2.290 0.689 6.648 1.00 20.43 ATOM 125 ND1 HIS 8 -1.529 -0.037 7.540 1.00 5.33 ATOM 126 HD1 HIS 8 -1.401 0.175 8.488 1.00 54.23 ATOM 127 CD2 HIS 8 -2.191 0.046 5.461 1.00 24.43 ATOM 128 HD2 HIS 8 -2.664 0.336 4.533 1.00 71.33 ATOM 129 CE1 HIS 8 -0.992 -1.071 6.918 1.00 22.12 ATOM 130 HE1 HIS 8 -0.348 -1.813 7.366 1.00 11.02 ATOM 131 NE2 HIS 8 -1.378 -1.044 5.655 1.00 33.55 ATOM 132 HE2 HIS 8 -1.201 -1.747 4.995 1.00 38.17 ATOM 133 C HIS 8 -3.528 4.312 6.451 1.00 30.34 ATOM 134 O HIS 8 -4.004 4.790 5.422 1.00 61.01 ATOM 135 N SER 9 -3.879 4.718 7.667 1.00 30.45 ATOM 136 HN SER 9 -3.470 4.289 8.457 1.00 38.17 ATOM 137 CA SER 9 -4.869 5.770 7.866 1.00 22.21 ATOM 138 HA SER 9 -4.727 6.520 7.095 1.00 3.33 ATOM 139 CB SER 9 -6.283 5.200 7.739 1.00 22.30 ATOM 140 HB1 SER 9 -6.589 4.742 8.671 1.00 38.17 ATOM 141 HB2 SER 9 -6.298 4.454 6.957 1.00 64.15 ATOM 142 OG SER 9 -7.213 6.214 7.400 1.00 61.52 ATOM 143 HG SER 9 -8.073 5.819 7.238 1.00 21.11 ATOM 144 C SER 9 -4.695 6.429 9.231 1.00 23.20 ATOM 145 O SER 9 -4.496 5.751 10.240 1.00 43.02 ATOM 146 N HIS 10 -4.771 7.756 9.255 1.00 71.34 ATOM 147 HN HIS 10 -4.941 8.252 8.420 1.00 38.17 ATOM 148 CA HIS 10 -4.623 8.508 10.495 1.00 3.14 ATOM 149 HA HIS 10 -4.298 7.829 11.279 1.00 55.04 ATOM 150 CB HIS 10 -3.560 9.595 10.333 1.00 11.51 ATOM 151 HB1 HIS 10 -3.969 10.431 9.779 1.00 38.17 ATOM 152 HB2 HIS 10 -2.723 9.188 9.783 1.00 24.05 ATOM 153 CG HIS 10 -3.029 10.113 11.634 1.00 31.25 ATOM 154 ND1 HIS 10 -3.103 11.439 12.004 1.00 55.34 ATOM 155 HD1 HIS 10 -3.498 12.160 11.471 1.00 14.43 ATOM 156 CD2 HIS 10 -2.414 9.473 12.657 1.00 53.32 ATOM 157 HD2 HIS 10 -2.189 8.417 12.709 1.00 11.41 ATOM 158 CE1 HIS 10 -2.556 11.594 13.196 1.00 61.41 ATOM 159 HE1 HIS 10 -2.472 12.525 13.737 1.00 2.01 ATOM 160 NE2 HIS 10 -2.130 10.415 13.615 1.00 52.44 ATOM 161 HE2 HIS 10 -1.772 10.229 14.508 1.00 38.17 ATOM 162 C HIS 10 -5.950 9.135 10.913 1.00 44.14 ATOM 163 O HIS 10 -6.399 10.113 10.316 1.00 35.11 ATOM 164 N MET 11 -6.571 8.565 11.940 1.00 60.23 ATOM 165 HN MET 11 -6.161 7.781 12.378 1.00 38.17 ATOM 166 CA MET 11 -7.846 9.069 12.436 1.00 32.33 ATOM 167 HA MET 11 -8.561 9.025 11.624 1.00 24.03 ATOM 168 CB MET 11 -8.353 8.193 13.584 1.00 61.02 ATOM 169 HB1 MET 11 -8.419 7.176 13.223 1.00 38.17 ATOM 170 HB2 MET 11 -9.341 8.528 13.870 1.00 1.13 ATOM 171 CG MET 11 -7.461 8.227 14.814 1.00 2.31 ATOM 172 HG1 MET 11 -7.736 9.080 15.416 1.00 38.17 ATOM 173 HG2 MET 11 -6.428 8.330 14.506 1.00 42.30 ATOM 174 SD MET 11 -7.597 6.732 15.813 1.00 55.40 ATOM 175 CE MET 11 -8.734 7.278 17.085 1.00 0.03 ATOM 176 HE1 MET 11 -8.305 8.115 17.616 1.00 72.42 ATOM 177 HE2 MET 11 -8.917 6.469 17.776 1.00 5.13 ATOM 178 HE3 MET 11 -9.666 7.580 16.630 1.00 64.14 ATOM 179 C MET 11 -7.714 10.514 12.904 1.00 12.55 ATOM 180 O MET 11 -6.636 10.951 13.305 1.00 24.22 ATOM 181 N ALA 12 -8.818 11.252 12.850 1.00 12.45 ATOM 182 HN ALA 12 -9.652 10.851 12.505 1.00 38.17 ATOM 183 CA ALA 12 -8.825 12.648 13.271 1.00 55.13 ATOM 184 HA ALA 12 -8.156 12.752 14.120 1.00 65.15 ATOM 185 CB ALA 12 -8.298 13.538 12.155 1.00 73.12 ATOM 186 HB1 ALA 12 -8.254 14.563 12.496 1.00 60.52 ATOM 187 HB2 ALA 12 -8.952 13.472 11.297 1.00 25.33 ATOM 188 HB3 ALA 12 -7.307 13.212 11.876 1.00 50.24 ATOM 189 C ALA 12 -10.225 13.089 13.685 1.00 11.32 ATOM 190 O ALA 12 -11.176 12.981 12.911 1.00 35.34 ATOM 191 N LYS 13 -10.345 13.587 14.911 1.00 5.14 ATOM 192 HN LYS 13 -9.554 13.655 15.493 1.00 38.17 ATOM 193 CA LYS 13 -11.628 14.046 15.430 1.00 62.32 ATOM 194 HA LYS 13 -12.392 13.900 14.682 1.00 74.21 ATOM 195 CB LYS 13 -12.014 13.244 16.675 1.00 72.13 ATOM 196 HB1 LYS 13 -12.762 13.787 17.244 1.00 38.17 ATOM 197 HB2 LYS 13 -11.134 13.127 17.294 1.00 72.25 ATOM 198 CG LYS 13 -12.550 11.857 16.363 1.00 4.11 ATOM 199 HG1 LYS 13 -12.324 11.214 17.202 1.00 38.17 ATOM 200 HG2 LYS 13 -12.061 11.461 15.480 1.00 4.41 ATOM 201 CD LYS 13 -14.056 11.872 16.166 1.00 51.45 ATOM 202 HD1 LYS 13 -14.511 12.624 16.799 1.00 38.17 ATOM 203 HD2 LYS 13 -14.442 10.900 16.439 1.00 54.10 ATOM 204 CE LYS 13 -14.425 12.154 14.717 1.00 35.41 ATOM 205 HE1 LYS 13 -13.664 11.754 14.058 1.00 38.17 ATOM 206 HE2 LYS 13 -14.490 13.222 14.579 1.00 72.24 ATOM 207 NZ LYS 13 -15.734 11.545 14.350 1.00 13.43 ATOM 208 HZ1 LYS 13 -16.493 11.929 14.950 1.00 51.23 ATOM 209 HZ2 LYS 13 -15.700 10.512 14.472 1.00 53.24 ATOM 210 HZ3 LYS 13 -15.956 11.755 13.356 1.00 74.24 ATOM 211 C LYS 13 -11.579 15.533 15.765 1.00 30.00 ATOM 212 O LYS 13 -11.600 15.932 16.929 1.00 13.44 ATOM 213 N PRO 14 -11.514 16.374 14.722 1.00 65.30 ATOM 214 CA PRO 14 -11.463 17.830 14.881 1.00 4.11 ATOM 215 HA PRO 14 -10.664 18.129 15.545 1.00 44.13 ATOM 216 CB PRO 14 -11.169 18.332 13.465 1.00 21.40 ATOM 217 HB1 PRO 14 -10.103 18.447 13.345 1.00 38.17 ATOM 218 HB2 PRO 14 -11.654 19.278 13.268 1.00 21.35 ATOM 219 CG PRO 14 -11.689 17.261 12.569 1.00 41.34 ATOM 220 HG1 PRO 14 -11.134 17.255 11.643 1.00 38.17 ATOM 221 HG2 PRO 14 -12.740 17.421 12.377 1.00 22.51 ATOM 222 CD PRO 14 -11.485 15.967 13.307 1.00 44.41 ATOM 223 HD1 PRO 14 -10.528 15.554 13.045 1.00 38.17 ATOM 224 HD2 PRO 14 -12.280 15.276 13.076 1.00 3.14 ATOM 225 C PRO 14 -12.782 18.404 15.387 1.00 44.43 ATOM 226 O PRO 14 -13.690 17.663 15.765 1.00 5.42 ATOM 227 N THR 15 -12.882 19.730 15.390 1.00 10.13 ATOM 228 HN THR 15 -12.113 20.280 15.109 1.00 38.17 ATOM 229 CA THR 15 -14.090 20.404 15.850 1.00 22.10 ATOM 230 HA THR 15 -14.937 19.739 15.718 1.00 70.04 ATOM 231 CB THR 15 -13.997 20.765 17.345 1.00 52.35 ATOM 232 HB THR 15 -13.727 19.877 17.899 1.00 22.12 ATOM 233 OG1 THR 15 -15.264 21.242 17.812 1.00 4.45 ATOM 234 HG1 THR 15 -15.840 20.497 18.000 1.00 60.25 ATOM 235 CG2 THR 15 -12.932 21.825 17.580 1.00 42.31 ATOM 236 HG21 THR 15 -13.291 22.786 17.244 1.00 62.22 ATOM 237 HG22 THR 15 -12.027 21.569 17.044 1.00 70.24 ATOM 238 HG23 THR 15 -12.714 21.879 18.636 1.00 71.04 ATOM 239 C THR 15 -14.351 21.673 15.047 1.00 2.11 ATOM 240 O THR 15 -13.436 22.242 14.453 1.00 4.21 ATOM 241 N ALA 16 -15.605 22.112 15.034 1.00 11.12 ATOM 242 HN ALA 16 -16.302 21.608 15.517 1.00 38.17 ATOM 243 CA ALA 16 -15.986 23.316 14.306 1.00 5.22 ATOM 244 HA ALA 16 -15.098 23.914 14.123 1.00 45.00 ATOM 245 CB ALA 16 -16.580 22.950 12.954 1.00 31.04 ATOM 246 HB1 ALA 16 -17.487 22.379 13.097 1.00 0.54 ATOM 247 HB2 ALA 16 -15.868 22.357 12.400 1.00 22.23 ATOM 248 HB3 ALA 16 -16.804 23.850 12.399 1.00 71.24 ATOM 249 C ALA 16 -16.973 24.155 15.111 1.00 43.25 ATOM 250 O ALA 16 -17.862 23.620 15.772 1.00 31.31 ATOM 251 N ARG 17 -16.809 25.473 15.050 1.00 73.23 ATOM 252 HN ARG 17 -16.085 25.852 14.500 1.00 38.17 ATOM 253 CA ARG 17 -17.685 26.385 15.774 1.00 13.44 ATOM 254 HA ARG 17 -18.374 25.800 16.376 1.00 11.22 ATOM 255 CB ARG 17 -16.866 27.279 16.708 1.00 53.03 ATOM 256 HB1 ARG 17 -16.465 28.119 16.153 1.00 38.17 ATOM 257 HB2 ARG 17 -16.037 26.696 17.094 1.00 65.01 ATOM 258 CG ARG 17 -17.661 27.820 17.885 1.00 2.20 ATOM 259 HG1 ARG 17 -18.338 27.056 18.246 1.00 38.17 ATOM 260 HG2 ARG 17 -18.228 28.679 17.559 1.00 24.35 ATOM 261 CD ARG 17 -16.749 28.240 19.027 1.00 65.10 ATOM 262 HD1 ARG 17 -16.202 29.117 18.713 1.00 38.17 ATOM 263 HD2 ARG 17 -16.043 27.448 19.242 1.00 63.45 ATOM 264 NE ARG 17 -17.500 28.574 20.234 1.00 73.13 ATOM 265 HE ARG 17 -17.668 29.526 20.412 1.00 52.52 ATOM 266 CZ ARG 17 -17.960 27.666 21.088 1.00 51.42 ATOM 267 NH1 ARG 17 -17.745 26.376 20.869 1.00 55.51 ATOM 268 HH11 ARG 17 -17.244 26.056 20.069 1.00 22.45 ATOM 269 HH12 ARG 17 -18.094 25.700 21.522 1.00 2.23 ATOM 270 NH2 ARG 17 -18.636 28.049 22.164 1.00 63.30 ATOM 271 HH21 ARG 17 -18.801 29.023 22.335 1.00 12.34 ATOM 272 HH22 ARG 17 -18.984 27.366 22.810 1.00 54.20 ATOM 273 C ARG 17 -18.493 27.246 14.808 1.00 40.44 ATOM 274 O ARG 17 -17.934 27.906 13.933 1.00 50.53 ATOM 275 N GLY 18 -19.812 27.234 14.972 1.00 34.41 ATOM 276 HN GLY 18 -20.211 26.698 15.697 1.00 38.17 ATOM 277 CA GLY 18 -20.675 28.016 14.107 1.00 55.12 ATOM 278 HA1 GLY 18 -20.189 28.183 13.152 1.00 38.17 ATOM 279 HA2 GLY 18 -20.852 28.975 14.572 1.00 52.21 ATOM 280 C GLY 18 -22.005 27.336 13.845 1.00 65.11 ATOM 281 O GLY 18 -22.092 26.430 13.017 1.00 53.35 ATOM 282 N GLU 19 -23.041 27.772 14.554 1.00 2.21 ATOM 283 HN GLU 19 -22.910 28.494 15.213 1.00 38.17 ATOM 284 CA GLU 19 -24.371 27.196 14.395 1.00 11.51 ATOM 285 HA GLU 19 -24.287 26.262 13.849 1.00 0.42 ATOM 286 CB GLU 19 -24.994 26.910 15.763 1.00 61.20 ATOM 287 HB1 GLU 19 -25.402 27.822 16.182 1.00 38.17 ATOM 288 HB2 GLU 19 -24.212 26.555 16.423 1.00 32.33 ATOM 289 CG GLU 19 -26.074 25.842 15.728 1.00 31.22 ATOM 290 HG1 GLU 19 -26.114 25.366 16.697 1.00 38.17 ATOM 291 HG2 GLU 19 -25.828 25.100 14.979 1.00 0.44 ATOM 292 CD GLU 19 -27.446 26.409 15.419 1.00 1.42 ATOM 293 OE1 GLU 19 -28.191 25.774 14.644 1.00 45.22 ATOM 294 OE2 GLU 19 -27.774 27.489 15.954 1.00 55.45 ATOM 295 C GLU 19 -25.276 28.131 13.598 1.00 75.25 ATOM 296 O GLU 19 -26.216 27.688 12.937 1.00 24.11 ATOM 297 N ALA 20 -24.987 29.426 13.665 1.00 2.12 ATOM 298 HN ALA 20 -24.253 29.740 14.236 1.00 38.17 ATOM 299 CA ALA 20 -25.773 30.423 12.949 1.00 2.01 ATOM 300 HA ALA 20 -26.155 29.980 12.036 1.00 22.34 ATOM 301 CB ALA 20 -26.962 30.861 13.790 1.00 15.04 ATOM 302 HB1 ALA 20 -26.612 31.338 14.695 1.00 61.23 ATOM 303 HB2 ALA 20 -27.555 29.996 14.048 1.00 21.21 ATOM 304 HB3 ALA 20 -27.570 31.556 13.228 1.00 42.32 ATOM 305 C ALA 20 -24.918 31.628 12.571 1.00 60.24 ATOM 306 O ALA 20 -23.790 31.773 13.041 1.00 55.52 ATOM 307 N GLY 21 -25.462 32.489 11.717 1.00 55.43 ATOM 308 HN GLY 21 -26.375 32.327 11.378 1.00 38.17 ATOM 309 CA GLY 21 -24.735 33.670 11.289 1.00 40.00 ATOM 310 HA1 GLY 21 -23.700 33.410 11.099 1.00 38.17 ATOM 311 HA2 GLY 21 -24.769 34.405 12.079 1.00 61.24 ATOM 312 C GLY 21 -25.314 34.283 10.030 1.00 52.34 ATOM 313 O GLY 21 -25.546 35.491 9.969 1.00 62.21 ATOM 314 N SER 22 -25.547 33.450 9.021 1.00 53.14 ATOM 315 HN SER 22 -25.340 32.495 9.129 1.00 38.17 ATOM 316 CA SER 22 -26.098 33.918 7.754 1.00 2.31 ATOM 317 HA SER 22 -26.829 34.691 7.959 1.00 33.31 ATOM 318 CB SER 22 -24.990 34.506 6.878 1.00 24.12 ATOM 319 HB1 SER 22 -25.426 35.180 6.156 1.00 38.17 ATOM 320 HB2 SER 22 -24.466 33.713 6.359 1.00 4.21 ATOM 321 OG SER 22 -24.049 35.224 7.659 1.00 73.44 ATOM 322 HG SER 22 -23.412 34.614 8.040 1.00 72.33 ATOM 323 C SER 22 -26.799 32.783 7.014 1.00 41.43 ATOM 324 O SER 22 -26.867 31.656 7.504 1.00 4.32 ATOM 325 N ARG 23 -27.319 33.090 5.830 1.00 51.21 ATOM 326 HN ARG 23 -27.236 34.012 5.488 1.00 38.17 ATOM 327 CA ARG 23 -28.016 32.097 5.021 1.00 14.34 ATOM 328 HA ARG 23 -28.692 31.545 5.666 1.00 72.02 ATOM 329 CB ARG 23 -28.823 32.783 3.917 1.00 1.00 ATOM 330 HB1 ARG 23 -28.925 32.111 3.072 1.00 38.17 ATOM 331 HB2 ARG 23 -28.284 33.663 3.591 1.00 43.14 ATOM 332 CG ARG 23 -30.223 33.189 4.348 1.00 43.31 ATOM 333 HG1 ARG 23 -30.194 33.548 5.369 1.00 38.17 ATOM 334 HG2 ARG 23 -30.871 32.327 4.290 1.00 73.43 ATOM 335 CD ARG 23 -30.779 34.294 3.463 1.00 11.25 ATOM 336 HD1 ARG 23 -29.967 34.914 3.103 1.00 38.17 ATOM 337 HD2 ARG 23 -31.440 34.913 4.052 1.00 10.42 ATOM 338 NE ARG 23 -31.500 33.762 2.310 1.00 31.45 ATOM 339 HE ARG 23 -31.022 33.736 1.452 1.00 65.11 ATOM 340 CZ ARG 23 -32.751 33.318 2.367 1.00 63.52 ATOM 341 NH1 ARG 23 -33.416 33.343 3.514 1.00 64.54 ATOM 342 HH11 ARG 23 -33.002 33.686 4.353 1.00 12.03 ATOM 343 HH12 ARG 23 -34.361 33.009 3.543 1.00 23.41 ATOM 344 NH2 ARG 23 -33.339 32.848 1.274 1.00 30.42 ATOM 345 HH21 ARG 23 -32.842 32.827 0.404 1.00 50.42 ATOM 346 HH22 ARG 23 -34.282 32.512 1.314 1.00 60.54 ATOM 347 C ARG 23 -27.031 31.108 4.407 1.00 71.43 ATOM 348 O ARG 23 -27.268 29.899 4.407 1.00 40.42 ATOM 349 N ASP 24 -25.927 31.628 3.883 1.00 4.15 ATOM 350 HN ASP 24 -25.801 32.606 3.898 1.00 38.17 ATOM 351 CA ASP 24 -24.905 30.791 3.266 1.00 61.32 ATOM 352 HA ASP 24 -25.384 30.160 2.528 1.00 51.44 ATOM 353 CB ASP 24 -23.860 31.659 2.563 1.00 72.33 ATOM 354 HB1 ASP 24 -24.354 32.270 1.822 1.00 38.17 ATOM 355 HB2 ASP 24 -23.137 31.023 2.071 1.00 23.10 ATOM 356 CG ASP 24 -23.126 32.574 3.523 1.00 33.43 ATOM 357 OD1 ASP 24 -21.937 32.312 3.799 1.00 10.14 ATOM 358 OD2 ASP 24 -23.741 33.551 4.000 1.00 74.24 ATOM 359 C ASP 24 -24.229 29.902 4.305 1.00 34.25 ATOM 360 O ASP 24 -23.718 28.831 3.981 1.00 30.32 ATOM 361 N GLU 25 -24.231 30.355 5.555 1.00 11.12 ATOM 362 HN GLU 25 -24.632 31.230 5.759 1.00 38.17 ATOM 363 CA GLU 25 -23.616 29.601 6.641 1.00 14.14 ATOM 364 HA GLU 25 -22.580 29.435 6.381 1.00 61.40 ATOM 365 CB GLU 25 -23.699 30.390 7.950 1.00 33.41 ATOM 366 HB1 GLU 25 -23.729 29.706 8.792 1.00 38.17 ATOM 367 HB2 GLU 25 -24.605 30.966 7.949 1.00 54.25 ATOM 368 CG GLU 25 -22.536 31.344 8.160 1.00 1.13 ATOM 369 HG1 GLU 25 -22.796 32.033 8.950 1.00 38.17 ATOM 370 HG2 GLU 25 -22.359 31.898 7.248 1.00 10.04 ATOM 371 CD GLU 25 -21.257 30.628 8.549 1.00 42.24 ATOM 372 OE1 GLU 25 -20.388 31.267 9.179 1.00 50.04 ATOM 373 OE2 GLU 25 -21.124 29.430 8.223 1.00 53.24 ATOM 374 C GLU 25 -24.290 28.242 6.810 1.00 53.41 ATOM 375 O GLU 25 -23.632 27.242 7.095 1.00 43.02 ATOM 376 N ARG 26 -25.607 28.216 6.632 1.00 31.53 ATOM 377 HN ARG 26 -26.088 29.051 6.424 1.00 38.17 ATOM 378 CA ARG 26 -26.371 26.981 6.766 1.00 11.13 ATOM 379 HA ARG 26 -26.299 26.646 7.786 1.00 12.14 ATOM 380 CB ARG 26 -27.842 27.227 6.424 1.00 22.21 ATOM 381 HB1 ARG 26 -28.317 26.274 6.214 1.00 38.17 ATOM 382 HB2 ARG 26 -27.899 27.843 5.540 1.00 34.31 ATOM 383 CG ARG 26 -28.619 27.914 7.535 1.00 31.31 ATOM 384 HG1 ARG 26 -28.500 28.983 7.429 1.00 38.17 ATOM 385 HG2 ARG 26 -28.226 27.602 8.491 1.00 2.25 ATOM 386 CD ARG 26 -30.099 27.569 7.475 1.00 21.31 ATOM 387 HD1 ARG 26 -30.267 26.650 8.019 1.00 38.17 ATOM 388 HD2 ARG 26 -30.394 27.428 6.442 1.00 63.41 ATOM 389 NE ARG 26 -30.931 28.626 8.044 1.00 62.15 ATOM 390 HE ARG 26 -31.481 29.151 7.422 1.00 63.24 ATOM 391 CZ ARG 26 -30.978 28.906 9.341 1.00 13.21 ATOM 392 NH1 ARG 26 -30.245 28.211 10.200 1.00 51.40 ATOM 393 HH11 ARG 26 -29.658 27.466 9.911 1.00 54.14 ATOM 394 HH12 ARG 26 -30.282 28.442 11.175 1.00 2.35 ATOM 395 NH2 ARG 26 -31.760 29.884 9.782 1.00 71.41 ATOM 396 HH21 ARG 26 -32.316 30.413 9.138 1.00 30.43 ATOM 397 HH22 ARG 26 -31.797 30.097 10.761 1.00 32.44 ATOM 398 C ARG 26 -25.803 25.890 5.864 1.00 73.42 ATOM 399 O ARG 26 -25.755 24.719 6.243 1.00 1.53 ATOM 400 N ARG 27 -25.375 26.281 4.668 1.00 74.01 ATOM 401 HN ARG 27 -25.447 27.231 4.413 1.00 38.17 ATOM 402 CA ARG 27 -24.813 25.336 3.711 1.00 42.01 ATOM 403 HA ARG 27 -25.497 24.500 3.619 1.00 72.30 ATOM 404 CB ARG 27 -24.641 26.002 2.345 1.00 53.44 ATOM 405 HB1 ARG 27 -23.779 25.588 1.857 1.00 38.17 ATOM 406 HB2 ARG 27 -24.465 27.060 2.482 1.00 4.42 ATOM 407 CG ARG 27 -25.836 25.819 1.423 1.00 30.31 ATOM 408 HG1 ARG 27 -26.267 24.837 1.570 1.00 38.17 ATOM 409 HG2 ARG 27 -25.502 25.913 0.402 1.00 13.54 ATOM 410 CD ARG 27 -26.903 26.872 1.677 1.00 3.33 ATOM 411 HD1 ARG 27 -26.419 27.834 1.801 1.00 38.17 ATOM 412 HD2 ARG 27 -27.434 26.617 2.582 1.00 52.52 ATOM 413 NE ARG 27 -27.858 26.961 0.576 1.00 45.41 ATOM 414 HE ARG 27 -27.862 26.235 -0.091 1.00 4.02 ATOM 415 CZ ARG 27 -28.720 27.961 0.430 1.00 33.12 ATOM 416 NH1 ARG 27 -28.748 28.951 1.311 1.00 5.23 ATOM 417 HH11 ARG 27 -28.134 28.970 2.096 1.00 21.41 ATOM 418 HH12 ARG 27 -29.401 29.702 1.189 1.00 54.34 ATOM 419 NH2 ARG 27 -29.558 27.971 -0.599 1.00 1.22 ATOM 420 HH21 ARG 27 -29.543 27.225 -1.268 1.00 52.42 ATOM 421 HH22 ARG 27 -30.210 28.724 -0.711 1.00 22.55 ATOM 422 C ARG 27 -23.470 24.801 4.200 1.00 0.31 ATOM 423 O ARG 27 -23.057 23.703 3.831 1.00 24.40 ATOM 424 N ALA 28 -22.794 25.587 5.032 1.00 20.54 ATOM 425 HN ALA 28 -23.151 26.464 5.270 1.00 38.17 ATOM 426 CA ALA 28 -21.499 25.192 5.573 1.00 32.41 ATOM 427 HA ALA 28 -20.907 24.764 4.772 1.00 63.34 ATOM 428 CB ALA 28 -20.754 26.409 6.100 1.00 31.24 ATOM 429 HB1 ALA 28 -19.740 26.130 6.347 1.00 54.14 ATOM 430 HB2 ALA 28 -21.244 26.796 6.980 1.00 12.51 ATOM 431 HB3 ALA 28 -20.739 27.170 5.337 1.00 5.30 ATOM 432 C ALA 28 -21.659 24.149 6.674 1.00 31.22 ATOM 433 O ALA 28 -21.155 23.030 6.562 1.00 13.42 ATOM 434 N LEU 29 -22.362 24.522 7.738 1.00 72.41 ATOM 435 HN LEU 29 -22.713 25.441 7.774 1.00 38.17 ATOM 436 CA LEU 29 -22.588 23.618 8.861 1.00 50.12 ATOM 437 HA LEU 29 -21.626 23.348 9.274 1.00 1.03 ATOM 438 CB LEU 29 -23.411 24.316 9.945 1.00 2.21 ATOM 439 HB1 LEU 29 -22.739 24.988 10.464 1.00 38.17 ATOM 440 HB2 LEU 29 -23.734 23.567 10.663 1.00 74.45 ATOM 441 CG LEU 29 -24.623 25.112 9.460 1.00 44.42 ATOM 442 HG LEU 29 -24.695 25.071 8.386 1.00 51.35 ATOM 443 CD1 LEU 29 -25.908 24.517 10.012 1.00 75.23 ATOM 444 HD11 LEU 29 -26.756 25.077 9.641 1.00 45.24 ATOM 445 HD12 LEU 29 -25.896 24.559 11.093 1.00 64.24 ATOM 446 HD13 LEU 29 -25.996 23.487 9.694 1.00 71.41 ATOM 447 CD2 LEU 29 -24.495 26.575 9.861 1.00 71.15 ATOM 448 HD21 LEU 29 -25.328 27.139 9.476 1.00 52.40 ATOM 449 HD22 LEU 29 -23.576 26.982 9.469 1.00 0.44 ATOM 450 HD23 LEU 29 -24.482 26.653 10.940 1.00 25.21 ATOM 451 C LEU 29 -23.300 22.349 8.404 1.00 54.11 ATOM 452 O LEU 29 -23.139 21.286 9.002 1.00 75.42 ATOM 453 N ALA 30 -24.087 22.469 7.339 1.00 24.20 ATOM 454 HN ALA 30 -24.214 23.349 6.918 1.00 38.17 ATOM 455 CA ALA 30 -24.820 21.331 6.799 1.00 20.42 ATOM 456 HA ALA 30 -25.387 20.878 7.603 1.00 31.31 ATOM 457 CB ALA 30 -25.806 21.794 5.737 1.00 62.11 ATOM 458 HB1 ALA 30 -26.553 22.425 6.193 1.00 45.33 ATOM 459 HB2 ALA 30 -26.292 20.938 5.287 1.00 34.44 ATOM 460 HB3 ALA 30 -25.281 22.352 4.976 1.00 32.11 ATOM 461 C ALA 30 -23.868 20.288 6.222 1.00 54.20 ATOM 462 O ALA 30 -24.097 19.086 6.352 1.00 55.05 ATOM 463 N MET 31 -22.801 20.757 5.584 1.00 21.11 ATOM 464 HN MET 31 -22.663 21.730 5.506 1.00 38.17 ATOM 465 CA MET 31 -21.814 19.864 4.987 1.00 34.14 ATOM 466 HA MET 31 -22.278 18.909 4.786 1.00 12.13 ATOM 467 CB MET 31 -21.294 20.450 3.674 1.00 64.45 ATOM 468 HB1 MET 31 -20.500 19.821 3.289 1.00 38.17 ATOM 469 HB2 MET 31 -20.894 21.435 3.869 1.00 72.31 ATOM 470 CG MET 31 -22.362 20.580 2.601 1.00 53.45 ATOM 471 HG1 MET 31 -21.925 21.056 1.742 1.00 38.17 ATOM 472 HG2 MET 31 -23.173 21.185 2.977 1.00 13.31 ATOM 473 SD MET 31 -23.018 18.985 2.076 1.00 54.03 ATOM 474 CE MET 31 -21.728 18.439 0.959 1.00 14.15 ATOM 475 HE1 MET 31 -22.092 17.618 0.359 1.00 13.11 ATOM 476 HE2 MET 31 -20.875 18.117 1.528 1.00 13.43 ATOM 477 HE3 MET 31 -21.451 19.259 0.319 1.00 12.41 ATOM 478 C MET 31 -20.652 19.620 5.945 1.00 53.01 ATOM 479 O MET 31 -19.782 18.790 5.682 1.00 22.15 ATOM 480 N LYS 32 -20.644 20.349 7.056 1.00 32.51 ATOM 481 HN LYS 32 -21.337 21.011 7.220 1.00 38.17 ATOM 482 CA LYS 32 -19.590 20.211 8.054 1.00 40.21 ATOM 483 HA LYS 32 -19.824 20.870 8.877 1.00 34.51 ATOM 484 CB LYS 32 -19.532 18.772 8.570 1.00 35.32 ATOM 485 HB1 LYS 32 -18.899 18.757 9.447 1.00 38.17 ATOM 486 HB2 LYS 32 -19.098 18.127 7.818 1.00 41.53 ATOM 487 CG LYS 32 -20.891 18.206 8.948 1.00 4.30 ATOM 488 HG1 LYS 32 -21.430 17.965 8.042 1.00 38.17 ATOM 489 HG2 LYS 32 -21.442 18.948 9.512 1.00 75.32 ATOM 490 CD LYS 32 -20.756 16.952 9.795 1.00 75.45 ATOM 491 HD1 LYS 32 -20.231 17.197 10.708 1.00 38.17 ATOM 492 HD2 LYS 32 -20.194 16.211 9.243 1.00 72.23 ATOM 493 CE LYS 32 -22.117 16.369 10.146 1.00 25.45 ATOM 494 HE1 LYS 32 -21.988 15.325 10.389 1.00 38.17 ATOM 495 HE2 LYS 32 -22.782 16.454 9.296 1.00 1.20 ATOM 496 NZ LYS 32 -22.730 17.058 11.315 1.00 0.21 ATOM 497 HZ1 LYS 32 -22.119 16.962 12.153 1.00 30.12 ATOM 498 HZ2 LYS 32 -23.656 16.637 11.529 1.00 74.53 ATOM 499 HZ3 LYS 32 -22.864 18.070 11.109 1.00 60.12 ATOM 500 C LYS 32 -18.236 20.609 7.474 1.00 75.34 ATOM 501 O LYS 32 -17.320 19.790 7.394 1.00 74.20 ATOM 502 N ILE 33 -18.118 21.870 7.071 1.00 24.54 ATOM 503 HN ILE 33 -18.885 22.484 7.169 1.00 38.17 ATOM 504 CA ILE 33 -16.875 22.375 6.501 1.00 10.04 ATOM 505 HA ILE 33 -16.477 21.597 5.872 1.00 4.30 ATOM 506 CB ILE 33 -17.121 23.622 5.631 1.00 30.23 ATOM 507 HB ILE 33 -17.516 24.408 6.260 1.00 51.21 ATOM 508 CG1 ILE 33 -18.138 23.310 4.532 1.00 53.44 ATOM 509 HG11 ILE 33 -18.321 24.205 3.953 1.00 38.17 ATOM 510 HG12 ILE 33 -19.067 22.988 4.980 1.00 35.12 ATOM 511 CG2 ILE 33 -15.814 24.113 5.027 1.00 23.54 ATOM 512 HG21 ILE 33 -15.382 23.356 4.398 1.00 73.42 ATOM 513 HG22 ILE 33 -15.128 24.361 5.799 1.00 2.20 ATOM 514 HG23 ILE 33 -16.005 24.996 4.433 1.00 24.03 ATOM 515 CD1 ILE 33 -17.684 22.228 3.577 1.00 14.23 ATOM 516 HD11 ILE 33 -18.452 22.075 2.833 1.00 33.01 ATOM 517 HD12 ILE 33 -17.525 21.304 4.108 1.00 54.22 ATOM 518 HD13 ILE 33 -16.773 22.524 3.083 1.00 64.11 ATOM 519 C ILE 33 -15.870 22.722 7.594 1.00 1.04 ATOM 520 O ILE 33 -16.192 23.383 8.582 1.00 75.31 ATOM 521 N PRO 34 -14.621 22.268 7.415 1.00 45.20 ATOM 522 CA PRO 34 -13.541 22.520 8.374 1.00 13.44 ATOM 523 HA PRO 34 -13.819 22.215 9.373 1.00 43.41 ATOM 524 CB PRO 34 -12.401 21.635 7.866 1.00 22.13 ATOM 525 HB1 PRO 34 -12.435 20.683 8.375 1.00 38.17 ATOM 526 HB2 PRO 34 -11.440 22.103 8.043 1.00 73.32 ATOM 527 CG PRO 34 -12.669 21.471 6.410 1.00 23.51 ATOM 528 HG1 PRO 34 -12.263 20.531 6.067 1.00 38.17 ATOM 529 HG2 PRO 34 -12.236 22.278 5.870 1.00 72.12 ATOM 530 CD PRO 34 -14.165 21.474 6.261 1.00 11.44 ATOM 531 HD1 PRO 34 -14.548 20.465 6.314 1.00 38.17 ATOM 532 HD2 PRO 34 -14.431 21.923 5.331 1.00 3.24 ATOM 533 C PRO 34 -13.112 23.984 8.393 1.00 70.53 ATOM 534 O PRO 34 -12.856 24.553 9.454 1.00 22.50 ATOM 535 N PHE 35 -13.036 24.588 7.212 1.00 61.25 ATOM 536 HN PHE 35 -13.287 24.096 6.415 1.00 38.17 ATOM 537 CA PHE 35 -12.637 25.985 7.092 1.00 10.31 ATOM 538 HA PHE 35 -12.077 26.252 7.979 1.00 50.03 ATOM 539 CB PHE 35 -11.727 26.176 5.877 1.00 22.10 ATOM 540 HB1 PHE 35 -10.772 25.712 6.088 1.00 38.17 ATOM 541 HB2 PHE 35 -11.563 27.231 5.701 1.00 51.13 ATOM 542 CG PHE 35 -12.275 25.571 4.616 1.00 15.33 ATOM 543 CD1 PHE 35 -11.924 24.285 4.239 1.00 43.30 ATOM 544 HD1 PHE 35 -11.242 23.720 4.852 1.00 51.33 ATOM 545 CD2 PHE 35 -13.143 26.289 3.809 1.00 74.50 ATOM 546 HD2 PHE 35 -13.426 27.293 4.089 1.00 63.21 ATOM 547 CE1 PHE 35 -12.427 23.727 3.079 1.00 5.00 ATOM 548 HE1 PHE 35 -12.144 22.725 2.801 1.00 31.41 ATOM 549 CE2 PHE 35 -13.650 25.735 2.648 1.00 41.21 ATOM 550 HE2 PHE 35 -14.319 26.297 2.028 1.00 11.42 ATOM 551 CZ PHE 35 -13.292 24.452 2.283 1.00 4.32 ATOM 552 HZ PHE 35 -13.686 24.018 1.376 1.00 5.43 ATOM 553 C PHE 35 -13.859 26.891 6.973 1.00 0.54 ATOM 554 O PHE 35 -14.936 26.471 6.551 1.00 15.05 ATOM 555 N PRO 36 -13.689 28.166 7.355 1.00 11.01 ATOM 556 CA PRO 36 -14.766 29.159 7.301 1.00 32.11 ATOM 557 HA PRO 36 -15.647 28.814 7.826 1.00 40.33 ATOM 558 CB PRO 36 -14.174 30.365 8.034 1.00 43.34 ATOM 559 HB1 PRO 36 -14.459 30.324 9.075 1.00 38.17 ATOM 560 HB2 PRO 36 -14.528 31.293 7.600 1.00 24.31 ATOM 561 CG PRO 36 -12.700 30.216 7.879 1.00 64.03 ATOM 562 HG1 PRO 36 -12.193 30.683 8.710 1.00 38.17 ATOM 563 HG2 PRO 36 -12.388 30.657 6.954 1.00 51.34 ATOM 564 CD PRO 36 -12.432 28.736 7.868 1.00 11.31 ATOM 565 HD1 PRO 36 -12.229 28.384 8.869 1.00 38.17 ATOM 566 HD2 PRO 36 -11.603 28.523 7.221 1.00 74.41 ATOM 567 C PRO 36 -15.138 29.534 5.871 1.00 43.04 ATOM 568 O PRO 36 -14.322 29.419 4.955 1.00 2.32 ATOM 569 N THR 37 -16.375 29.984 5.684 1.00 62.33 ATOM 570 HN THR 37 -16.969 30.088 6.464 1.00 38.17 ATOM 571 CA THR 37 -16.855 30.375 4.364 1.00 5.24 ATOM 572 HA THR 37 -16.575 29.611 3.667 1.00 11.33 ATOM 573 CB THR 37 -18.389 30.506 4.341 1.00 51.43 ATOM 574 HB THR 37 -18.710 30.621 3.314 1.00 14.23 ATOM 575 OG1 THR 37 -18.794 31.656 5.092 1.00 52.44 ATOM 576 HG1 THR 37 -18.846 32.421 4.513 1.00 72.04 ATOM 577 CG2 THR 37 -19.048 29.261 4.916 1.00 45.34 ATOM 578 HG21 THR 37 -20.118 29.333 4.787 1.00 10.43 ATOM 579 HG22 THR 37 -18.823 29.180 5.968 1.00 24.01 ATOM 580 HG23 THR 37 -18.685 28.382 4.400 1.00 23.03 ATOM 581 C THR 37 -16.236 31.697 3.924 1.00 11.34 ATOM 582 O THR 37 -15.909 31.881 2.752 1.00 62.32 ATOM 583 N ASP 38 -16.078 32.615 4.872 1.00 50.24 ATOM 584 HN ASP 38 -16.376 32.422 5.792 1.00 38.17 ATOM 585 CA ASP 38 -15.497 33.921 4.582 1.00 65.34 ATOM 586 HA ASP 38 -16.156 34.433 3.892 1.00 24.21 ATOM 587 CB ASP 38 -15.365 34.741 5.866 1.00 62.30 ATOM 588 HB1 ASP 38 -14.552 35.452 5.768 1.00 38.17 ATOM 589 HB2 ASP 38 -15.152 34.081 6.695 1.00 33.20 ATOM 590 CG ASP 38 -16.624 35.522 6.186 1.00 33.51 ATOM 591 OD1 ASP 38 -17.272 35.210 7.207 1.00 15.03 ATOM 592 OD2 ASP 38 -16.961 36.445 5.416 1.00 74.41 ATOM 593 C ASP 38 -14.132 33.772 3.916 1.00 1.11 ATOM 594 O ASP 38 -13.744 34.589 3.081 1.00 2.51 ATOM 595 N LYS 39 -13.407 32.724 4.292 1.00 10.01 ATOM 596 HN LYS 39 -13.753 32.111 4.982 1.00 38.17 ATOM 597 CA LYS 39 -12.085 32.467 3.733 1.00 74.24 ATOM 598 HA LYS 39 -11.511 33.378 3.780 1.00 43.32 ATOM 599 CB LYS 39 -11.361 31.398 4.554 1.00 65.15 ATOM 600 HB1 LYS 39 -11.938 30.484 4.536 1.00 38.17 ATOM 601 HB2 LYS 39 -11.294 31.753 5.572 1.00 62.53 ATOM 602 CG LYS 39 -9.959 31.094 4.054 1.00 5.43 ATOM 603 HG1 LYS 39 -9.497 32.004 3.703 1.00 38.17 ATOM 604 HG2 LYS 39 -10.047 30.395 3.240 1.00 50.45 ATOM 605 CD LYS 39 -9.105 30.462 5.140 1.00 24.14 ATOM 606 HD1 LYS 39 -8.596 29.607 4.720 1.00 38.17 ATOM 607 HD2 LYS 39 -9.729 30.133 5.963 1.00 13.51 ATOM 608 CE LYS 39 -8.060 31.435 5.665 1.00 30.15 ATOM 609 HE1 LYS 39 -8.420 32.452 5.562 1.00 38.17 ATOM 610 HE2 LYS 39 -7.157 31.317 5.087 1.00 61.41 ATOM 611 NZ LYS 39 -7.745 31.190 7.100 1.00 15.03 ATOM 612 HZ1 LYS 39 -7.029 31.870 7.427 1.00 34.21 ATOM 613 HZ2 LYS 39 -7.373 30.227 7.230 1.00 33.35 ATOM 614 HZ3 LYS 39 -8.601 31.301 7.683 1.00 3.24 ATOM 615 C LYS 39 -12.188 32.022 2.277 1.00 1.30 ATOM 616 O LYS 39 -11.256 32.209 1.494 1.00 23.04 ATOM 617 N ILE 40 -13.326 31.435 1.921 1.00 5.32 ATOM 618 HN ILE 40 -14.029 31.305 2.582 1.00 38.17 ATOM 619 CA ILE 40 -13.550 30.967 0.559 1.00 4.31 ATOM 620 HA ILE 40 -12.721 30.325 0.280 1.00 44.34 ATOM 621 CB ILE 40 -14.851 30.150 0.451 1.00 3.34 ATOM 622 HB ILE 40 -15.679 30.786 0.719 1.00 61.21 ATOM 623 CG1 ILE 40 -14.806 28.952 1.402 1.00 73.03 ATOM 624 HG11 ILE 40 -14.543 29.280 2.397 1.00 38.17 ATOM 625 HG12 ILE 40 -14.062 28.248 1.059 1.00 10.43 ATOM 626 CG2 ILE 40 -15.069 29.689 -0.982 1.00 33.12 ATOM 627 HG21 ILE 40 -15.327 28.641 -1.023 1.00 11.14 ATOM 628 HG22 ILE 40 -14.187 29.847 -1.574 1.00 41.24 ATOM 629 HG23 ILE 40 -15.880 30.260 -1.408 1.00 12.25 ATOM 630 CD1 ILE 40 -16.124 28.217 1.509 1.00 11.03 ATOM 631 HD11 ILE 40 -16.332 27.704 0.590 1.00 41.43 ATOM 632 HD12 ILE 40 -16.919 28.922 1.704 1.00 13.31 ATOM 633 HD13 ILE 40 -16.076 27.503 2.317 1.00 4.14 ATOM 634 C ILE 40 -13.613 32.135 -0.420 1.00 20.30 ATOM 635 O ILE 40 -13.189 32.019 -1.570 1.00 24.43 ATOM 636 N VAL 41 -14.145 33.261 0.044 1.00 4.13 ATOM 637 HN VAL 41 -14.489 33.300 0.966 1.00 38.17 ATOM 638 CA VAL 41 -14.261 34.452 -0.789 1.00 31.20 ATOM 639 HA VAL 41 -14.223 34.157 -1.833 1.00 31.11 ATOM 640 CB VAL 41 -15.601 35.174 -0.552 1.00 5.25 ATOM 641 HB VAL 41 -15.605 35.579 0.452 1.00 30.23 ATOM 642 CG1 VAL 41 -15.766 36.328 -1.529 1.00 4.24 ATOM 643 HG11 VAL 41 -15.038 37.095 -1.319 1.00 21.24 ATOM 644 HG12 VAL 41 -16.757 36.751 -1.428 1.00 31.43 ATOM 645 HG13 VAL 41 -15.633 35.973 -2.542 1.00 11.05 ATOM 646 CG2 VAL 41 -16.760 34.197 -0.667 1.00 74.23 ATOM 647 HG21 VAL 41 -16.629 33.382 0.030 1.00 71.11 ATOM 648 HG22 VAL 41 -16.810 33.806 -1.672 1.00 0.24 ATOM 649 HG23 VAL 41 -17.679 34.711 -0.435 1.00 1.53 ATOM 650 C VAL 41 -13.118 35.424 -0.521 1.00 65.24 ATOM 651 O VAL 41 -12.751 36.220 -1.385 1.00 34.11 ATOM 652 N ASN 42 -12.557 35.352 0.681 1.00 3.55 ATOM 653 HN ASN 42 -12.891 34.704 1.341 1.00 38.17 ATOM 654 CA ASN 42 -11.454 36.227 1.064 1.00 63.34 ATOM 655 HA ASN 42 -11.702 37.240 0.762 1.00 41.22 ATOM 656 CB ASN 42 -11.246 36.187 2.579 1.00 44.22 ATOM 657 HB1 ASN 42 -10.207 36.392 2.811 1.00 38.17 ATOM 658 HB2 ASN 42 -11.494 35.216 2.955 1.00 75.14 ATOM 659 CG ASN 42 -12.087 37.219 3.305 1.00 21.01 ATOM 660 OD1 ASN 42 -11.598 37.925 4.187 1.00 34.14 ATOM 661 ND2 ASN 42 -13.359 37.310 2.936 1.00 13.42 ATOM 662 HD21 ASN 42 -13.714 36.727 2.239 1.00 23.41 ATOM 663 HD22 ASN 42 -13.909 37.980 3.393 1.00 63.32 ATOM 664 C ASN 42 -10.167 35.822 0.351 1.00 23.55 ATOM 665 O ASN 42 -9.466 36.662 -0.214 1.00 71.03 ATOM 666 N LEU 43 -9.862 34.529 0.383 1.00 44.01 ATOM 667 HN LEU 43 -10.461 33.902 0.855 1.00 38.17 ATOM 668 CA LEU 43 -8.659 34.011 -0.260 1.00 61.10 ATOM 669 HA LEU 43 -7.827 34.565 0.140 1.00 52.33 ATOM 670 CB LEU 43 -8.492 32.522 0.050 1.00 51.31 ATOM 671 HB1 LEU 43 -7.908 32.058 -0.735 1.00 38.17 ATOM 672 HB2 LEU 43 -9.470 32.069 0.030 1.00 75.52 ATOM 673 CG LEU 43 -7.830 32.185 1.386 1.00 1.02 ATOM 674 HG LEU 43 -8.367 32.681 2.175 1.00 21.31 ATOM 675 CD1 LEU 43 -7.878 30.687 1.642 1.00 24.35 ATOM 676 HD11 LEU 43 -7.533 30.482 2.645 1.00 54.44 ATOM 677 HD12 LEU 43 -7.242 30.175 0.932 1.00 33.22 ATOM 678 HD13 LEU 43 -8.890 30.328 1.531 1.00 14.41 ATOM 679 CD2 LEU 43 -6.394 32.687 1.411 1.00 25.24 ATOM 680 HD21 LEU 43 -5.960 32.477 2.379 1.00 0.41 ATOM 681 HD22 LEU 43 -6.365 33.751 1.241 1.00 34.23 ATOM 682 HD23 LEU 43 -5.817 32.183 0.650 1.00 41.11 ATOM 683 C LEU 43 -8.713 34.225 -1.769 1.00 71.13 ATOM 684 O LEU 43 -9.779 34.408 -2.357 1.00 73.22 ATOM 685 N PRO 44 -7.537 34.200 -2.413 1.00 61.34 ATOM 686 CA PRO 44 -7.424 34.386 -3.863 1.00 40.30 ATOM 687 HA PRO 44 -7.911 35.295 -4.185 1.00 71.40 ATOM 688 CB PRO 44 -5.915 34.504 -4.089 1.00 43.40 ATOM 689 HB1 PRO 44 -5.634 35.546 -4.079 1.00 38.17 ATOM 690 HB2 PRO 44 -5.631 34.064 -5.038 1.00 21.33 ATOM 691 CG PRO 44 -5.302 33.776 -2.943 1.00 61.42 ATOM 692 HG1 PRO 44 -4.321 34.173 -2.728 1.00 38.17 ATOM 693 HG2 PRO 44 -5.246 32.750 -3.195 1.00 41.45 ATOM 694 CD PRO 44 -6.227 33.986 -1.776 1.00 45.53 ATOM 695 HD1 PRO 44 -5.928 34.853 -1.206 1.00 38.17 ATOM 696 HD2 PRO 44 -6.224 33.119 -1.167 1.00 22.34 ATOM 697 C PRO 44 -7.989 33.206 -4.645 1.00 60.52 ATOM 698 O PRO 44 -8.349 32.180 -4.067 1.00 65.21 ATOM 699 N VAL 45 -8.064 33.357 -5.964 1.00 32.42 ATOM 700 HN VAL 45 -7.767 34.207 -6.366 1.00 38.17 ATOM 701 CA VAL 45 -8.584 32.302 -6.826 1.00 31.23 ATOM 702 HA VAL 45 -9.533 31.969 -6.417 1.00 22.40 ATOM 703 CB VAL 45 -8.828 32.816 -8.257 1.00 70.20 ATOM 704 HB VAL 45 -9.448 33.699 -8.201 1.00 63.41 ATOM 705 CG1 VAL 45 -7.513 33.199 -8.918 1.00 40.52 ATOM 706 HG11 VAL 45 -6.959 33.874 -8.282 1.00 73.11 ATOM 707 HG12 VAL 45 -7.722 33.694 -9.855 1.00 75.34 ATOM 708 HG13 VAL 45 -6.917 32.318 -9.112 1.00 20.05 ATOM 709 CG2 VAL 45 -9.563 31.769 -9.081 1.00 22.14 ATOM 710 HG21 VAL 45 -10.465 31.466 -8.566 1.00 54.10 ATOM 711 HG22 VAL 45 -8.932 30.906 -9.239 1.00 12.41 ATOM 712 HG23 VAL 45 -9.829 32.193 -10.038 1.00 22.22 ATOM 713 C VAL 45 -7.628 31.115 -6.880 1.00 14.24 ATOM 714 O VAL 45 -8.040 29.985 -7.140 1.00 34.54 ATOM 715 N ASP 46 -6.351 31.380 -6.632 1.00 5.33 ATOM 716 HN ASP 46 -6.073 32.303 -6.434 1.00 38.17 ATOM 717 CA ASP 46 -5.335 30.334 -6.650 1.00 70.22 ATOM 718 HA ASP 46 -5.550 29.667 -7.478 1.00 70.42 ATOM 719 CB ASP 46 -3.945 30.945 -6.834 1.00 53.33 ATOM 720 HB1 ASP 46 -3.244 30.493 -6.142 1.00 38.17 ATOM 721 HB2 ASP 46 -3.980 32.008 -6.642 1.00 34.24 ATOM 722 CG ASP 46 -3.404 30.742 -8.236 1.00 30.43 ATOM 723 OD1 ASP 46 -4.205 30.783 -9.192 1.00 51.55 ATOM 724 OD2 ASP 46 -2.179 30.539 -8.376 1.00 14.35 ATOM 725 C ASP 46 -5.377 29.513 -5.365 1.00 71.01 ATOM 726 O ASP 46 -5.636 28.310 -5.393 1.00 72.24 ATOM 727 N ASP 47 -5.120 30.171 -4.240 1.00 42.22 ATOM 728 HN ASP 47 -4.916 31.130 -4.288 1.00 38.17 ATOM 729 CA ASP 47 -5.128 29.503 -2.944 1.00 71.32 ATOM 730 HA ASP 47 -4.310 28.796 -2.928 1.00 21.31 ATOM 731 CB ASP 47 -4.929 30.521 -1.820 1.00 61.41 ATOM 732 HB1 ASP 47 -4.952 30.008 -0.867 1.00 38.17 ATOM 733 HB2 ASP 47 -5.726 31.240 -1.850 1.00 1.24 ATOM 734 CG ASP 47 -3.605 31.251 -1.928 1.00 64.32 ATOM 735 OD1 ASP 47 -3.324 32.101 -1.058 1.00 24.20 ATOM 736 OD2 ASP 47 -2.850 30.973 -2.884 1.00 25.55 ATOM 737 C ASP 47 -6.434 28.742 -2.733 1.00 43.53 ATOM 738 O ASP 47 -6.448 27.665 -2.137 1.00 43.32 ATOM 739 N PHE 48 -7.530 29.311 -3.225 1.00 64.12 ATOM 740 HN PHE 48 -7.466 30.184 -3.678 1.00 38.17 ATOM 741 CA PHE 48 -8.841 28.688 -3.089 1.00 30.11 ATOM 742 HA PHE 48 -9.033 28.533 -2.036 1.00 71.01 ATOM 743 CB PHE 48 -9.926 29.605 -3.657 1.00 32.20 ATOM 744 HB1 PHE 48 -9.633 29.918 -4.651 1.00 38.17 ATOM 745 HB2 PHE 48 -10.011 30.477 -3.024 1.00 31.34 ATOM 746 CG PHE 48 -11.280 28.958 -3.730 1.00 62.10 ATOM 747 CD1 PHE 48 -11.973 28.905 -4.929 1.00 20.34 ATOM 748 HD1 PHE 48 -11.534 29.333 -5.820 1.00 74.10 ATOM 749 CD2 PHE 48 -11.859 28.403 -2.600 1.00 63.54 ATOM 750 HD2 PHE 48 -11.330 28.437 -1.657 1.00 3.40 ATOM 751 CE1 PHE 48 -13.219 28.311 -4.998 1.00 61.32 ATOM 752 HE1 PHE 48 -13.749 28.276 -5.938 1.00 42.14 ATOM 753 CE2 PHE 48 -13.104 27.807 -2.664 1.00 73.31 ATOM 754 HE2 PHE 48 -13.533 27.393 -1.776 1.00 4.21 ATOM 755 CZ PHE 48 -13.785 27.760 -3.865 1.00 22.10 ATOM 756 HZ PHE 48 -14.759 27.296 -3.917 1.00 32.42 ATOM 757 C PHE 48 -8.878 27.337 -3.798 1.00 41.41 ATOM 758 O PHE 48 -9.235 26.322 -3.203 1.00 24.51 ATOM 759 N ASN 49 -8.507 27.336 -5.074 1.00 70.44 ATOM 760 HN ASN 49 -8.234 28.185 -5.497 1.00 38.17 ATOM 761 CA ASN 49 -8.499 26.111 -5.866 1.00 65.12 ATOM 762 HA ASN 49 -9.522 25.774 -5.969 1.00 25.51 ATOM 763 CB ASN 49 -7.908 26.379 -7.252 1.00 22.11 ATOM 764 HB1 ASN 49 -7.634 25.440 -7.720 1.00 38.17 ATOM 765 HB2 ASN 49 -7.023 26.991 -7.146 1.00 1.10 ATOM 766 CG ASN 49 -8.885 27.088 -8.169 1.00 42.45 ATOM 767 OD1 ASN 49 -10.091 26.847 -8.116 1.00 62.04 ATOM 768 ND2 ASN 49 -8.367 27.969 -9.018 1.00 3.24 ATOM 769 HD21 ASN 49 -7.395 28.121 -9.017 1.00 42.21 ATOM 770 HD22 ASN 49 -8.982 28.438 -9.619 1.00 23.22 ATOM 771 C ASN 49 -7.702 25.015 -5.165 1.00 2.13 ATOM 772 O ASN 49 -8.015 23.832 -5.288 1.00 22.50 ATOM 773 N GLU 50 -6.671 25.419 -4.428 1.00 53.34 ATOM 774 HN GLU 50 -6.443 26.376 -4.381 1.00 38.17 ATOM 775 CA GLU 50 -5.830 24.471 -3.708 1.00 0.25 ATOM 776 HA GLU 50 -5.764 23.558 -4.286 1.00 33.41 ATOM 777 CB GLU 50 -4.425 25.045 -3.516 1.00 44.33 ATOM 778 HB1 GLU 50 -3.873 24.424 -2.820 1.00 38.17 ATOM 779 HB2 GLU 50 -4.510 26.039 -3.104 1.00 21.14 ATOM 780 CG GLU 50 -3.623 25.134 -4.804 1.00 50.31 ATOM 781 HG1 GLU 50 -2.665 25.582 -4.585 1.00 38.17 ATOM 782 HG2 GLU 50 -4.158 25.757 -5.505 1.00 32.43 ATOM 783 CD GLU 50 -3.390 23.778 -5.441 1.00 55.13 ATOM 784 OE1 GLU 50 -3.386 23.702 -6.688 1.00 3.10 ATOM 785 OE2 GLU 50 -3.214 22.793 -4.694 1.00 43.33 ATOM 786 C GLU 50 -6.439 24.125 -2.352 1.00 3.13 ATOM 787 O GLU 50 -6.200 23.046 -1.808 1.00 61.34 ATOM 788 N LEU 51 -7.226 25.048 -1.810 1.00 44.33 ATOM 789 HN LEU 51 -7.346 25.906 -2.260 1.00 38.17 ATOM 790 CA LEU 51 -7.869 24.843 -0.517 1.00 71.54 ATOM 791 HA LEU 51 -7.107 24.595 0.204 1.00 45.15 ATOM 792 CB LEU 51 -8.566 26.126 -0.062 1.00 44.11 ATOM 793 HB1 LEU 51 -9.307 26.379 -0.808 1.00 38.17 ATOM 794 HB2 LEU 51 -7.830 26.919 -0.042 1.00 54.32 ATOM 795 CG LEU 51 -9.259 26.067 1.299 1.00 21.15 ATOM 796 HG LEU 51 -9.862 25.176 1.366 1.00 73.51 ATOM 797 CD1 LEU 51 -8.232 26.017 2.420 1.00 64.12 ATOM 798 HD11 LEU 51 -7.603 25.146 2.297 1.00 1.23 ATOM 799 HD12 LEU 51 -8.738 25.957 3.374 1.00 51.13 ATOM 800 HD13 LEU 51 -7.619 26.908 2.395 1.00 61.53 ATOM 801 CD2 LEU 51 -10.187 27.259 1.478 1.00 53.44 ATOM 802 HD21 LEU 51 -10.927 27.263 0.690 1.00 53.45 ATOM 803 HD22 LEU 51 -9.616 28.177 1.438 1.00 3.05 ATOM 804 HD23 LEU 51 -10.687 27.189 2.435 1.00 50.13 ATOM 805 C LEU 51 -8.878 23.700 -0.587 1.00 3.33 ATOM 806 O LEU 51 -9.175 23.058 0.421 1.00 2.05 ATOM 807 N LEU 52 -9.400 23.451 -1.783 1.00 25.24 ATOM 808 HN LEU 52 -9.151 24.009 -2.554 1.00 38.17 ATOM 809 CA LEU 52 -10.374 22.384 -1.985 1.00 24.23 ATOM 810 HA LEU 52 -11.137 22.494 -1.238 1.00 62.40 ATOM 811 CB LEU 52 -11.015 22.507 -3.368 1.00 1.20 ATOM 812 HB1 LEU 52 -11.610 21.629 -3.548 1.00 38.17 ATOM 813 HB2 LEU 52 -10.212 22.523 -4.095 1.00 63.22 ATOM 814 CG LEU 52 -11.895 23.737 -3.592 1.00 52.23 ATOM 815 HG LEU 52 -11.383 24.614 -3.221 1.00 75.43 ATOM 816 CD1 LEU 52 -12.156 23.944 -5.076 1.00 64.34 ATOM 817 HD11 LEU 52 -12.678 23.086 -5.479 1.00 41.34 ATOM 818 HD12 LEU 52 -11.216 24.068 -5.595 1.00 63.21 ATOM 819 HD13 LEU 52 -12.759 24.830 -5.218 1.00 45.14 ATOM 820 CD2 LEU 52 -13.207 23.600 -2.833 1.00 3.22 ATOM 821 HD21 LEU 52 -13.699 22.679 -3.115 1.00 72.25 ATOM 822 HD22 LEU 52 -13.846 24.431 -3.078 1.00 21.41 ATOM 823 HD23 LEU 52 -13.009 23.592 -1.772 1.00 3.43 ATOM 824 C LEU 52 -9.719 21.014 -1.835 1.00 75.13 ATOM 825 O LEU 52 -10.291 20.104 -1.235 1.00 10.41 ATOM 826 N ALA 53 -8.517 20.875 -2.384 1.00 10.10 ATOM 827 HN ALA 53 -8.104 21.637 -2.855 1.00 38.17 ATOM 828 CA ALA 53 -7.783 19.618 -2.308 1.00 72.00 ATOM 829 HA ALA 53 -8.492 18.797 -2.333 1.00 31.51 ATOM 830 CB ALA 53 -6.866 19.469 -3.513 1.00 22.34 ATOM 831 HB1 ALA 53 -6.126 20.257 -3.507 1.00 4.25 ATOM 832 HB2 ALA 53 -7.452 19.536 -4.418 1.00 14.12 ATOM 833 HB3 ALA 53 -6.371 18.509 -3.477 1.00 72.31 ATOM 834 C ALA 53 -6.980 19.528 -1.015 1.00 12.32 ATOM 835 O ALA 53 -6.696 18.436 -0.524 1.00 63.52 ATOM 836 N ARG 54 -6.617 20.684 -0.468 1.00 31.22 ATOM 837 HN ARG 54 -6.855 21.529 -0.912 1.00 38.17 ATOM 838 CA ARG 54 -5.845 20.735 0.768 1.00 41.02 ATOM 839 HA ARG 54 -4.940 20.156 0.622 1.00 63.15 ATOM 840 CB ARG 54 -5.477 22.181 1.104 1.00 5.14 ATOM 841 HB1 ARG 54 -5.571 22.333 2.175 1.00 38.17 ATOM 842 HB2 ARG 54 -6.156 22.849 0.608 1.00 12.03 ATOM 843 CG ARG 54 -4.060 22.558 0.702 1.00 0.14 ATOM 844 HG1 ARG 54 -4.046 22.761 -0.359 1.00 38.17 ATOM 845 HG2 ARG 54 -3.394 21.737 0.916 1.00 24.05 ATOM 846 CD ARG 54 -3.583 23.799 1.441 1.00 61.12 ATOM 847 HD1 ARG 54 -3.740 23.668 2.505 1.00 38.17 ATOM 848 HD2 ARG 54 -4.163 24.644 1.099 1.00 23.05 ATOM 849 NE ARG 54 -2.170 24.073 1.194 1.00 2.11 ATOM 850 HE ARG 54 -1.953 24.846 0.627 1.00 24.20 ATOM 851 CZ ARG 54 -1.181 23.339 1.692 1.00 61.13 ATOM 852 NH1 ARG 54 -1.450 22.291 2.458 1.00 3.25 ATOM 853 HH11 ARG 54 -2.381 22.031 2.689 1.00 2.44 ATOM 854 HH12 ARG 54 -0.694 21.740 2.818 1.00 52.21 ATOM 855 NH2 ARG 54 0.080 23.652 1.422 1.00 20.00 ATOM 856 HH21 ARG 54 0.290 24.442 0.842 1.00 35.12 ATOM 857 HH22 ARG 54 0.828 23.100 1.797 1.00 44.00 ATOM 858 C ARG 54 -6.626 20.116 1.923 1.00 20.31 ATOM 859 O ARG 54 -6.057 19.433 2.775 1.00 1.01 ATOM 860 N TYR 55 -7.932 20.359 1.945 1.00 4.23 ATOM 861 HN TYR 55 -8.342 20.911 1.239 1.00 38.17 ATOM 862 CA TYR 55 -8.790 19.828 2.997 1.00 13.22 ATOM 863 HA TYR 55 -8.162 19.536 3.831 1.00 41.04 ATOM 864 CB TYR 55 -9.771 20.901 3.474 1.00 4.14 ATOM 865 HB1 TYR 55 -10.616 20.440 3.971 1.00 38.17 ATOM 866 HB2 TYR 55 -10.139 21.444 2.612 1.00 12.13 ATOM 867 CG TYR 55 -9.154 21.906 4.421 1.00 53.41 ATOM 868 CD1 TYR 55 -9.436 21.872 5.781 1.00 5.03 ATOM 869 HD1 TYR 55 -10.091 21.108 6.164 1.00 51.31 ATOM 870 CD2 TYR 55 -8.292 22.891 3.955 1.00 0.11 ATOM 871 HD2 TYR 55 -8.061 22.935 2.899 1.00 74.42 ATOM 872 CE1 TYR 55 -8.876 22.789 6.650 1.00 65.21 ATOM 873 HE1 TYR 55 -9.108 22.745 7.704 1.00 1.02 ATOM 874 CE2 TYR 55 -7.726 23.811 4.816 1.00 32.05 ATOM 875 HE2 TYR 55 -7.055 24.566 4.436 1.00 24.42 ATOM 876 CZ TYR 55 -8.021 23.756 6.163 1.00 72.12 ATOM 877 OH TYR 55 -7.461 24.671 7.024 1.00 43.41 ATOM 878 HH TYR 55 -7.876 25.531 6.903 1.00 22.20 ATOM 879 C TYR 55 -9.558 18.604 2.508 1.00 63.21 ATOM 880 O TYR 55 -9.750 18.397 1.309 1.00 4.44 ATOM 881 N PRO 56 -10.009 17.771 3.458 1.00 65.13 ATOM 882 CA PRO 56 -10.763 16.553 3.149 1.00 35.12 ATOM 883 HA PRO 56 -10.236 15.928 2.443 1.00 24.33 ATOM 884 CB PRO 56 -10.852 15.839 4.500 1.00 22.51 ATOM 885 HB1 PRO 56 -10.031 15.143 4.585 1.00 38.17 ATOM 886 HB2 PRO 56 -11.786 15.300 4.601 1.00 23.41 ATOM 887 CG PRO 56 -10.730 16.925 5.512 1.00 50.21 ATOM 888 HG1 PRO 56 -10.301 16.533 6.422 1.00 38.17 ATOM 889 HG2 PRO 56 -11.701 17.355 5.709 1.00 4.55 ATOM 890 CD PRO 56 -9.816 17.955 4.906 1.00 34.41 ATOM 891 HD1 PRO 56 -8.791 17.759 5.186 1.00 38.17 ATOM 892 HD2 PRO 56 -10.112 18.934 5.230 1.00 4.55 ATOM 893 C PRO 56 -12.159 16.856 2.614 1.00 30.45 ATOM 894 O PRO 56 -13.145 16.790 3.350 1.00 3.33 ATOM 895 N LEU 57 -12.236 17.186 1.330 1.00 14.53 ATOM 896 HN LEU 57 -11.417 17.217 0.783 1.00 38.17 ATOM 897 CA LEU 57 -13.513 17.499 0.696 1.00 4.03 ATOM 898 HA LEU 57 -14.287 17.501 1.447 1.00 72.13 ATOM 899 CB LEU 57 -13.463 18.891 0.063 1.00 64.51 ATOM 900 HB1 LEU 57 -14.450 19.132 -0.307 1.00 38.17 ATOM 901 HB2 LEU 57 -12.776 18.855 -0.768 1.00 21.51 ATOM 902 CG LEU 57 -12.999 20.027 0.975 1.00 62.21 ATOM 903 HG LEU 57 -11.969 19.858 1.253 1.00 34.51 ATOM 904 CD1 LEU 57 -13.076 21.360 0.248 1.00 54.31 ATOM 905 HD11 LEU 57 -12.610 22.127 0.840 1.00 33.45 ATOM 906 HD12 LEU 57 -14.108 21.616 0.072 1.00 53.41 ATOM 907 HD13 LEU 57 -12.569 21.280 -0.699 1.00 54.33 ATOM 908 CD2 LEU 57 -13.831 20.062 2.248 1.00 12.33 ATOM 909 HD21 LEU 57 -13.522 20.898 2.861 1.00 44.23 ATOM 910 HD22 LEU 57 -13.689 19.150 2.805 1.00 12.10 ATOM 911 HD23 LEU 57 -14.877 20.172 1.998 1.00 15.24 ATOM 912 C LEU 57 -13.864 16.458 -0.362 1.00 51.41 ATOM 913 O LEU 57 -13.021 16.071 -1.172 1.00 54.14 ATOM 914 N THR 58 -15.116 16.010 -0.351 1.00 64.12 ATOM 915 HN THR 58 -15.743 16.335 0.332 1.00 38.17 ATOM 916 CA THR 58 -15.580 15.015 -1.310 1.00 45.31 ATOM 917 HA THR 58 -14.725 14.467 -1.698 1.00 32.35 ATOM 918 CB THR 58 -16.538 14.005 -0.652 1.00 61.22 ATOM 919 HB THR 58 -17.103 13.486 -1.418 1.00 65.14 ATOM 920 OG1 THR 58 -17.452 14.688 0.213 1.00 62.01 ATOM 921 HG1 THR 58 -18.252 14.165 0.317 1.00 33.54 ATOM 922 CG2 THR 58 -15.764 12.962 0.141 1.00 51.33 ATOM 923 HG21 THR 58 -15.097 12.426 -0.519 1.00 52.03 ATOM 924 HG22 THR 58 -16.457 12.267 0.591 1.00 70.43 ATOM 925 HG23 THR 58 -15.190 13.448 0.917 1.00 24.30 ATOM 926 C THR 58 -16.286 15.675 -2.489 1.00 11.54 ATOM 927 O THR 58 -16.531 16.881 -2.480 1.00 52.21 ATOM 928 N GLU 59 -16.611 14.877 -3.500 1.00 54.05 ATOM 929 HN GLU 59 -16.383 13.918 -3.450 1.00 38.17 ATOM 930 CA GLU 59 -17.290 15.386 -4.686 1.00 73.14 ATOM 931 HA GLU 59 -16.633 16.101 -5.166 1.00 71.31 ATOM 932 CB GLU 59 -17.595 14.243 -5.657 1.00 20.32 ATOM 933 HB1 GLU 59 -18.460 14.508 -6.257 1.00 38.17 ATOM 934 HB2 GLU 59 -17.829 13.352 -5.090 1.00 41.00 ATOM 935 CG GLU 59 -16.444 13.917 -6.594 1.00 32.20 ATOM 936 HG1 GLU 59 -15.827 13.160 -6.132 1.00 38.17 ATOM 937 HG2 GLU 59 -15.851 14.806 -6.767 1.00 53.52 ATOM 938 CD GLU 59 -16.916 13.398 -7.938 1.00 62.43 ATOM 939 OE1 GLU 59 -17.128 12.173 -8.059 1.00 61.33 ATOM 940 OE2 GLU 59 -17.072 14.215 -8.869 1.00 54.20 ATOM 941 C GLU 59 -18.582 16.104 -4.308 1.00 14.04 ATOM 942 O GLU 59 -19.049 16.986 -5.029 1.00 34.44 ATOM 943 N SER 60 -19.155 15.719 -3.171 1.00 40.44 ATOM 944 HN SER 60 -18.773 14.980 -2.649 1.00 38.17 ATOM 945 CA SER 60 -20.395 16.323 -2.698 1.00 73.30 ATOM 946 HA SER 60 -21.019 16.548 -3.555 1.00 72.44 ATOM 947 CB SER 60 -21.149 15.347 -1.792 1.00 25.20 ATOM 948 HB1 SER 60 -22.064 15.808 -1.444 1.00 38.17 ATOM 949 HB2 SER 60 -20.531 15.092 -0.943 1.00 34.34 ATOM 950 OG SER 60 -21.480 14.157 -2.487 1.00 41.44 ATOM 951 HG SER 60 -20.714 13.578 -2.520 1.00 11.32 ATOM 952 C SER 60 -20.116 17.620 -1.946 1.00 2.31 ATOM 953 O SER 60 -20.943 18.531 -1.930 1.00 74.04 ATOM 954 N GLN 61 -18.944 17.696 -1.324 1.00 23.42 ATOM 955 HN GLN 61 -18.330 16.934 -1.346 1.00 38.17 ATOM 956 CA GLN 61 -18.555 18.881 -0.569 1.00 21.11 ATOM 957 HA GLN 61 -19.420 19.279 -0.071 1.00 53.34 ATOM 958 CB GLN 61 -17.509 18.519 0.487 1.00 33.42 ATOM 959 HB1 GLN 61 -17.167 19.428 0.969 1.00 38.17 ATOM 960 HB2 GLN 61 -16.675 18.052 -0.002 1.00 44.34 ATOM 961 CG GLN 61 -18.033 17.584 1.566 1.00 65.33 ATOM 962 HG1 GLN 61 -18.320 16.654 1.113 1.00 38.17 ATOM 963 HG2 GLN 61 -18.898 18.037 2.022 1.00 31.23 ATOM 964 CD GLN 61 -17.007 17.310 2.648 1.00 14.15 ATOM 965 OE1 GLN 61 -16.114 16.480 2.478 1.00 34.53 ATOM 966 NE2 GLN 61 -17.130 18.009 3.771 1.00 53.23 ATOM 967 HE21 GLN 61 -17.863 18.660 3.854 1.00 31.12 ATOM 968 HE22 GLN 61 -16.476 17.846 4.482 1.00 20.14 ATOM 969 C GLN 61 -18.006 19.961 -1.496 1.00 22.44 ATOM 970 O GLN 61 -18.456 21.107 -1.466 1.00 70.31 ATOM 971 N LEU 62 -17.031 19.588 -2.317 1.00 62.03 ATOM 972 HN LEU 62 -16.715 18.656 -2.294 1.00 38.17 ATOM 973 CA LEU 62 -16.419 20.525 -3.254 1.00 33.15 ATOM 974 HA LEU 62 -15.882 21.267 -2.679 1.00 0.23 ATOM 975 CB LEU 62 -15.439 19.792 -4.172 1.00 14.43 ATOM 976 HB1 LEU 62 -15.325 20.385 -5.075 1.00 38.17 ATOM 977 HB2 LEU 62 -15.887 18.847 -4.459 1.00 55.15 ATOM 978 CG LEU 62 -14.046 19.534 -3.597 1.00 33.22 ATOM 979 HG LEU 62 -13.842 20.240 -2.802 1.00 61.22 ATOM 980 CD1 LEU 62 -13.964 18.135 -3.006 1.00 0.13 ATOM 981 HD11 LEU 62 -14.224 17.403 -3.758 1.00 25.42 ATOM 982 HD12 LEU 62 -14.648 18.068 -2.191 1.00 23.45 ATOM 983 HD13 LEU 62 -12.960 17.948 -2.656 1.00 23.32 ATOM 984 CD2 LEU 62 -12.983 19.725 -4.669 1.00 11.34 ATOM 985 HD21 LEU 62 -13.035 20.734 -5.055 1.00 45.42 ATOM 986 HD22 LEU 62 -13.147 19.024 -5.476 1.00 1.42 ATOM 987 HD23 LEU 62 -12.003 19.558 -4.243 1.00 1.41 ATOM 988 C LEU 62 -17.482 21.234 -4.087 1.00 71.40 ATOM 989 O LEU 62 -17.344 22.411 -4.416 1.00 43.21 ATOM 990 N ALA 63 -18.544 20.508 -4.423 1.00 41.33 ATOM 991 HN ALA 63 -18.593 19.560 -4.156 1.00 38.17 ATOM 992 CA ALA 63 -19.632 21.069 -5.214 1.00 73.34 ATOM 993 HA ALA 63 -19.230 21.377 -6.170 1.00 42.12 ATOM 994 CB ALA 63 -20.697 20.012 -5.471 1.00 45.11 ATOM 995 HB1 ALA 63 -21.471 20.421 -6.106 1.00 42.54 ATOM 996 HB2 ALA 63 -21.130 19.696 -4.532 1.00 5.13 ATOM 997 HB3 ALA 63 -20.245 19.162 -5.960 1.00 25.34 ATOM 998 C ALA 63 -20.245 22.282 -4.523 1.00 41.35 ATOM 999 O ALA 63 -20.643 23.247 -5.178 1.00 3.11 ATOM 1000 N LEU 64 -20.319 22.228 -3.198 1.00 63.03 ATOM 1001 HN LEU 64 -19.993 21.429 -2.723 1.00 38.17 ATOM 1002 CA LEU 64 -20.884 23.323 -2.418 1.00 1.31 ATOM 1003 HA LEU 64 -21.754 23.705 -2.939 1.00 1.15 ATOM 1004 CB LEU 64 -21.324 22.821 -1.042 1.00 1.14 ATOM 1005 HB1 LEU 64 -20.463 22.347 -0.590 1.00 38.17 ATOM 1006 HB2 LEU 64 -22.072 22.053 -1.197 1.00 0.02 ATOM 1007 CG LEU 64 -21.871 23.880 -0.084 1.00 5.32 ATOM 1008 HG LEU 64 -21.584 24.870 -0.408 1.00 14.31 ATOM 1009 CD1 LEU 64 -23.391 23.843 -0.058 1.00 24.44 ATOM 1010 HD11 LEU 64 -23.753 23.325 0.821 1.00 12.24 ATOM 1011 HD12 LEU 64 -23.775 23.346 -0.941 1.00 22.25 ATOM 1012 HD13 LEU 64 -23.756 24.851 -0.053 1.00 21.14 ATOM 1013 CD2 LEU 64 -21.306 23.677 1.315 1.00 41.14 ATOM 1014 HD21 LEU 64 -21.864 22.939 1.838 1.00 13.23 ATOM 1015 HD22 LEU 64 -21.373 24.609 1.855 1.00 61.22 ATOM 1016 HD23 LEU 64 -20.266 23.378 1.266 1.00 33.10 ATOM 1017 C LEU 64 -19.875 24.456 -2.260 1.00 12.42 ATOM 1018 O LEU 64 -20.194 25.622 -2.494 1.00 44.40 ATOM 1019 N VAL 65 -18.656 24.106 -1.863 1.00 31.43 ATOM 1020 HN VAL 65 -18.465 23.154 -1.708 1.00 38.17 ATOM 1021 CA VAL 65 -17.599 25.092 -1.677 1.00 11.44 ATOM 1022 HA VAL 65 -17.869 25.713 -0.834 1.00 4.13 ATOM 1023 CB VAL 65 -16.248 24.418 -1.373 1.00 72.54 ATOM 1024 HB VAL 65 -15.950 23.835 -2.235 1.00 11.11 ATOM 1025 CG1 VAL 65 -15.175 25.464 -1.114 1.00 21.42 ATOM 1026 HG11 VAL 65 -15.521 26.167 -0.378 1.00 71.42 ATOM 1027 HG12 VAL 65 -14.960 25.978 -2.029 1.00 10.12 ATOM 1028 HG13 VAL 65 -14.274 24.990 -0.753 1.00 30.51 ATOM 1029 CG2 VAL 65 -16.380 23.471 -0.189 1.00 44.54 ATOM 1030 HG21 VAL 65 -15.403 23.242 0.209 1.00 52.51 ATOM 1031 HG22 VAL 65 -16.845 22.558 -0.508 1.00 2.51 ATOM 1032 HG23 VAL 65 -16.979 23.928 0.589 1.00 33.40 ATOM 1033 C VAL 65 -17.448 25.975 -2.910 1.00 51.33 ATOM 1034 O VAL 65 -17.144 27.163 -2.802 1.00 43.35 ATOM 1035 N ARG 66 -17.663 25.387 -4.082 1.00 75.23 ATOM 1036 HN ARG 66 -17.882 24.427 -4.116 1.00 38.17 ATOM 1037 CA ARG 66 -17.551 26.120 -5.337 1.00 63.24 ATOM 1038 HA ARG 66 -16.627 26.688 -5.320 1.00 52.05 ATOM 1039 CB ARG 66 -17.517 25.148 -6.519 1.00 2.33 ATOM 1040 HB1 ARG 66 -17.750 25.690 -7.431 1.00 38.17 ATOM 1041 HB2 ARG 66 -18.266 24.384 -6.367 1.00 32.12 ATOM 1042 CG ARG 66 -16.172 24.465 -6.707 1.00 33.22 ATOM 1043 HG1 ARG 66 -16.014 23.768 -5.901 1.00 38.17 ATOM 1044 HG2 ARG 66 -15.391 25.212 -6.695 1.00 32.42 ATOM 1045 CD ARG 66 -16.107 23.718 -8.030 1.00 34.12 ATOM 1046 HD1 ARG 66 -15.967 24.434 -8.827 1.00 38.17 ATOM 1047 HD2 ARG 66 -17.044 23.193 -8.177 1.00 31.43 ATOM 1048 NE ARG 66 -15.012 22.752 -8.060 1.00 13.12 ATOM 1049 HE ARG 66 -14.313 22.825 -7.369 1.00 31.22 ATOM 1050 CZ ARG 66 -14.907 21.788 -8.968 1.00 35.15 ATOM 1051 NH1 ARG 66 -15.826 21.662 -9.915 1.00 35.01 ATOM 1052 HH11 ARG 66 -16.607 22.279 -9.972 1.00 51.50 ATOM 1053 HH12 ARG 66 -15.738 20.929 -10.593 1.00 24.21 ATOM 1054 NH2 ARG 66 -13.881 20.947 -8.929 1.00 15.31 ATOM 1055 HH21 ARG 66 -13.183 21.037 -8.215 1.00 44.34 ATOM 1056 HH22 ARG 66 -13.800 20.219 -9.613 1.00 44.12 ATOM 1057 C ARG 66 -18.711 27.097 -5.502 1.00 44.52 ATOM 1058 O ARG 66 -18.548 28.180 -6.066 1.00 21.13 ATOM 1059 N ASP 67 -19.880 26.708 -5.007 1.00 53.15 ATOM 1060 HN ASP 67 -19.961 25.824 -4.587 1.00 38.17 ATOM 1061 CA ASP 67 -21.068 27.550 -5.099 1.00 64.01 ATOM 1062 HA ASP 67 -21.114 27.955 -6.105 1.00 15.31 ATOM 1063 CB ASP 67 -22.327 26.723 -4.834 1.00 42.24 ATOM 1064 HB1 ASP 67 -22.499 26.638 -3.768 1.00 38.17 ATOM 1065 HB2 ASP 67 -22.191 25.732 -5.245 1.00 71.14 ATOM 1066 CG ASP 67 -23.560 27.325 -5.478 1.00 74.23 ATOM 1067 OD1 ASP 67 -23.569 27.476 -6.718 1.00 72.32 ATOM 1068 OD2 ASP 67 -24.517 27.644 -4.743 1.00 35.24 ATOM 1069 C ASP 67 -20.989 28.710 -4.112 1.00 22.04 ATOM 1070 O ASP 67 -21.318 29.848 -4.448 1.00 65.14 ATOM 1071 N ILE 68 -20.552 28.414 -2.892 1.00 73.51 ATOM 1072 HN ILE 68 -20.286 27.489 -2.692 1.00 38.17 ATOM 1073 CA ILE 68 -20.431 29.432 -1.856 1.00 63.23 ATOM 1074 HA ILE 68 -21.428 29.763 -1.595 1.00 11.23 ATOM 1075 CB ILE 68 -19.756 28.870 -0.591 1.00 31.11 ATOM 1076 HB ILE 68 -18.762 28.534 -0.860 1.00 25.44 ATOM 1077 CG1 ILE 68 -20.558 27.688 -0.041 1.00 44.21 ATOM 1078 HG11 ILE 68 -20.926 27.072 -0.838 1.00 38.17 ATOM 1079 HG12 ILE 68 -21.407 28.059 0.519 1.00 63.11 ATOM 1080 CG2 ILE 68 -19.617 29.958 0.463 1.00 44.43 ATOM 1081 HG21 ILE 68 -18.895 30.693 0.143 1.00 64.14 ATOM 1082 HG22 ILE 68 -19.278 29.521 1.394 1.00 63.21 ATOM 1083 HG23 ILE 68 -20.573 30.439 0.624 1.00 44.13 ATOM 1084 CD1 ILE 68 -19.761 26.796 0.885 1.00 42.12 ATOM 1085 HD11 ILE 68 -18.781 27.217 1.074 1.00 1.50 ATOM 1086 HD12 ILE 68 -19.649 25.821 0.434 1.00 51.11 ATOM 1087 HD13 ILE 68 -20.289 26.693 1.822 1.00 61.41 ATOM 1088 C ILE 68 -19.631 30.631 -2.355 1.00 74.32 ATOM 1089 O ILE 68 -19.994 31.780 -2.103 1.00 72.21 ATOM 1090 N ARG 69 -18.543 30.355 -3.066 1.00 23.13 ATOM 1091 HN ARG 69 -18.295 29.414 -3.230 1.00 38.17 ATOM 1092 CA ARG 69 -17.692 31.411 -3.601 1.00 61.11 ATOM 1093 HA ARG 69 -17.356 32.022 -2.776 1.00 61.33 ATOM 1094 CB ARG 69 -16.470 30.807 -4.296 1.00 52.44 ATOM 1095 HB1 ARG 69 -16.812 30.182 -5.112 1.00 38.17 ATOM 1096 HB2 ARG 69 -15.935 30.193 -3.587 1.00 44.13 ATOM 1097 CG ARG 69 -15.507 31.847 -4.846 1.00 72.25 ATOM 1098 HG1 ARG 69 -14.980 32.303 -4.021 1.00 38.17 ATOM 1099 HG2 ARG 69 -16.053 32.606 -5.387 1.00 11.53 ATOM 1100 CD ARG 69 -14.490 31.221 -5.788 1.00 55.03 ATOM 1101 HD1 ARG 69 -14.939 30.367 -6.279 1.00 38.17 ATOM 1102 HD2 ARG 69 -13.652 30.908 -5.200 1.00 52.42 ATOM 1103 NE ARG 69 -14.014 32.172 -6.789 1.00 72.45 ATOM 1104 HE ARG 69 -14.116 33.134 -6.597 1.00 33.02 ATOM 1105 CZ ARG 69 -13.448 31.810 -7.935 1.00 44.13 ATOM 1106 NH1 ARG 69 -13.288 30.526 -8.223 1.00 70.25 ATOM 1107 HH11 ARG 69 -13.579 29.808 -7.598 1.00 53.44 ATOM 1108 HH12 ARG 69 -12.863 30.266 -9.093 1.00 12.25 ATOM 1109 NH2 ARG 69 -13.040 32.734 -8.796 1.00 1.12 ATOM 1110 HH21 ARG 69 -13.144 33.693 -8.581 1.00 42.31 ATOM 1111 HH22 ARG 69 -12.625 32.463 -9.667 1.00 4.14 ATOM 1112 C ARG 69 -18.466 32.289 -4.580 1.00 61.43 ATOM 1113 O ARG 69 -18.349 33.514 -4.557 1.00 63.13 ATOM 1114 N ARG 70 -19.256 31.653 -5.439 1.00 40.15 ATOM 1115 HN ARG 70 -19.304 30.668 -5.418 1.00 38.17 ATOM 1116 CA ARG 70 -20.048 32.376 -6.428 1.00 24.42 ATOM 1117 HA ARG 70 -19.375 32.972 -7.030 1.00 3.54 ATOM 1118 CB ARG 70 -20.784 31.393 -7.340 1.00 33.12 ATOM 1119 HB1 ARG 70 -21.306 30.675 -6.729 1.00 38.17 ATOM 1120 HB2 ARG 70 -20.060 30.870 -7.949 1.00 73.03 ATOM 1121 CG ARG 70 -21.798 32.056 -8.257 1.00 52.54 ATOM 1122 HG1 ARG 70 -22.531 32.593 -7.677 1.00 38.17 ATOM 1123 HG2 ARG 70 -22.296 31.285 -8.826 1.00 63.31 ATOM 1124 CD ARG 70 -21.127 33.012 -9.231 1.00 43.12 ATOM 1125 HD1 ARG 70 -20.373 32.475 -9.791 1.00 38.17 ATOM 1126 HD2 ARG 70 -20.658 33.805 -8.665 1.00 20.43 ATOM 1127 NE ARG 70 -22.081 33.599 -10.168 1.00 61.54 ATOM 1128 HE ARG 70 -22.990 33.219 -10.200 1.00 4.11 ATOM 1129 CZ ARG 70 -21.788 34.610 -10.978 1.00 74.15 ATOM 1130 NH1 ARG 70 -20.575 35.144 -10.966 1.00 61.12 ATOM 1131 HH11 ARG 70 -19.861 34.804 -10.358 1.00 43.34 ATOM 1132 HH12 ARG 70 -20.365 35.908 -11.580 1.00 61.41 ATOM 1133 NH2 ARG 70 -22.711 35.089 -11.803 1.00 62.24 ATOM 1134 HH21 ARG 70 -23.630 34.690 -11.817 1.00 24.34 ATOM 1135 HH22 ARG 70 -22.493 35.852 -12.415 1.00 62.14 ATOM 1136 C ARG 70 -21.050 33.304 -5.748 1.00 44.41 ATOM 1137 O ARG 70 -21.129 34.490 -6.070 1.00 0.12 ATOM 1138 N ARG 71 -21.813 32.757 -4.808 1.00 25.23 ATOM 1139 HN ARG 71 -21.702 31.799 -4.593 1.00 38.17 ATOM 1140 CA ARG 71 -22.810 33.536 -4.084 1.00 74.52 ATOM 1141 HA ARG 71 -23.478 33.988 -4.808 1.00 24.30 ATOM 1142 CB ARG 71 -23.620 32.629 -3.155 1.00 52.23 ATOM 1143 HB1 ARG 71 -24.163 33.247 -2.447 1.00 38.17 ATOM 1144 HB2 ARG 71 -22.938 31.992 -2.609 1.00 25.23 ATOM 1145 CG ARG 71 -24.615 31.742 -3.885 1.00 53.13 ATOM 1146 HG1 ARG 71 -24.120 30.824 -4.164 1.00 38.17 ATOM 1147 HG2 ARG 71 -24.969 32.245 -4.777 1.00 31.21 ATOM 1148 CD ARG 71 -25.810 31.405 -3.007 1.00 52.21 ATOM 1149 HD1 ARG 71 -25.489 31.277 -1.980 1.00 38.17 ATOM 1150 HD2 ARG 71 -26.224 30.473 -3.366 1.00 53.42 ATOM 1151 NE ARG 71 -26.840 32.440 -3.063 1.00 64.41 ATOM 1152 HE ARG 71 -26.586 33.325 -3.416 1.00 21.40 ATOM 1153 CZ ARG 71 -28.092 32.253 -2.660 1.00 64.02 ATOM 1154 NH1 ARG 71 -28.467 31.078 -2.174 1.00 61.00 ATOM 1155 HH11 ARG 71 -27.829 30.316 -2.096 1.00 12.43 ATOM 1156 HH12 ARG 71 -29.415 30.947 -1.876 1.00 40.52 ATOM 1157 NH2 ARG 71 -28.971 33.243 -2.743 1.00 1.22 ATOM 1158 HH21 ARG 71 -28.694 34.134 -3.109 1.00 4.55 ATOM 1159 HH22 ARG 71 -29.916 33.105 -2.440 1.00 23.15 ATOM 1160 C ARG 71 -22.150 34.649 -3.277 1.00 51.50 ATOM 1161 O ARG 71 -22.735 35.712 -3.072 1.00 53.12 ATOM 1162 N GLY 72 -20.927 34.398 -2.820 1.00 60.45 ATOM 1163 HN GLY 72 -20.499 33.530 -2.987 1.00 38.17 ATOM 1164 CA GLY 72 -20.208 35.388 -2.040 1.00 62.25 ATOM 1165 HA1 GLY 72 -19.321 34.928 -1.644 1.00 38.17 ATOM 1166 HA2 GLY 72 -20.826 35.717 -1.215 1.00 74.00 ATOM 1167 C GLY 72 -19.803 36.593 -2.865 1.00 50.34 ATOM 1168 O GLY 72 -20.019 37.735 -2.458 1.00 73.03 ATOM 1169 N LYS 73 -19.212 36.341 -4.028 1.00 50.04 ATOM 1170 HN LYS 73 -19.068 35.404 -4.304 1.00 38.17 ATOM 1171 CA LYS 73 -18.775 37.414 -4.914 1.00 21.13 ATOM 1172 HA LYS 73 -18.218 38.131 -4.321 1.00 44.10 ATOM 1173 CB LYS 73 -17.866 36.858 -6.012 1.00 72.04 ATOM 1174 HB1 LYS 73 -18.475 36.469 -6.822 1.00 38.17 ATOM 1175 HB2 LYS 73 -17.281 36.045 -5.600 1.00 41.11 ATOM 1176 CG LYS 73 -16.897 37.882 -6.576 1.00 40.44 ATOM 1177 HG1 LYS 73 -16.132 38.089 -5.839 1.00 38.17 ATOM 1178 HG2 LYS 73 -17.439 38.794 -6.794 1.00 72.13 ATOM 1179 CD LYS 73 -16.252 37.391 -7.861 1.00 42.45 ATOM 1180 HD1 LYS 73 -15.919 38.249 -8.426 1.00 38.17 ATOM 1181 HD2 LYS 73 -16.976 36.838 -8.448 1.00 2.24 ATOM 1182 CE LYS 73 -15.052 36.501 -7.578 1.00 30.42 ATOM 1183 HE1 LYS 73 -15.234 35.919 -6.682 1.00 38.17 ATOM 1184 HE2 LYS 73 -14.186 37.127 -7.426 1.00 22.22 ATOM 1185 NZ LYS 73 -14.778 35.565 -8.703 1.00 63.41 ATOM 1186 HZ1 LYS 73 -13.763 35.567 -8.919 1.00 11.22 ATOM 1187 HZ2 LYS 73 -15.297 35.843 -9.565 1.00 74.43 ATOM 1188 HZ3 LYS 73 -15.064 34.601 -8.441 1.00 54.34 ATOM 1189 C LYS 73 -19.971 38.124 -5.539 1.00 41.25 ATOM 1190 O LYS 73 -19.891 39.300 -5.894 1.00 23.44 ATOM 1191 N ASN 74 -21.079 37.403 -5.671 1.00 74.11 ATOM 1192 HN ASN 74 -21.084 36.459 -5.391 1.00 38.17 ATOM 1193 CA ASN 74 -22.293 37.965 -6.253 1.00 45.24 ATOM 1194 HA ASN 74 -22.068 38.236 -7.278 1.00 73.22 ATOM 1195 CB ASN 74 -23.419 36.930 -6.235 1.00 51.12 ATOM 1196 HB1 ASN 74 -23.952 36.980 -5.293 1.00 38.17 ATOM 1197 HB2 ASN 74 -22.998 35.943 -6.336 1.00 41.44 ATOM 1198 CG ASN 74 -24.417 37.142 -7.357 1.00 61.34 ATOM 1199 OD1 ASN 74 -25.215 38.079 -7.325 1.00 62.31 ATOM 1200 ND2 ASN 74 -24.376 36.269 -8.357 1.00 72.15 ATOM 1201 HD21 ASN 74 -23.717 35.539 -8.332 1.00 51.40 ATOM 1202 HD22 ASN 74 -25.014 36.389 -9.091 1.00 63.44 ATOM 1203 C ASN 74 -22.727 39.219 -5.501 1.00 3.15 ATOM 1204 O ASN 74 -23.371 40.104 -6.065 1.00 5.14 ATOM 1205 N LYS 75 -22.369 39.289 -4.223 1.00 33.33 ATOM 1206 HN LYS 75 -21.899 38.535 -3.801 1.00 38.17 ATOM 1207 CA LYS 75 -22.719 40.434 -3.391 1.00 52.22 ATOM 1208 HA LYS 75 -23.789 40.589 -3.464 1.00 53.44 ATOM 1209 CB LYS 75 -22.357 40.160 -1.930 1.00 24.50 ATOM 1210 HB1 LYS 75 -21.281 40.106 -1.838 1.00 38.17 ATOM 1211 HB2 LYS 75 -22.774 39.201 -1.653 1.00 43.52 ATOM 1212 CG LYS 75 -22.897 41.199 -0.963 1.00 42.24 ATOM 1213 HG1 LYS 75 -23.891 40.900 -0.665 1.00 38.17 ATOM 1214 HG2 LYS 75 -22.950 42.170 -1.440 1.00 11.00 ATOM 1215 CD LYS 75 -22.034 41.303 0.283 1.00 11.30 ATOM 1216 HD1 LYS 75 -21.769 40.311 0.627 1.00 38.17 ATOM 1217 HD2 LYS 75 -22.600 41.807 1.053 1.00 41.22 ATOM 1218 CE LYS 75 -20.761 42.091 0.015 1.00 22.04 ATOM 1219 HE1 LYS 75 -20.363 41.831 -0.956 1.00 38.17 ATOM 1220 HE2 LYS 75 -20.036 41.834 0.773 1.00 50.41 ATOM 1221 NZ LYS 75 -20.997 43.560 0.064 1.00 50.54 ATOM 1222 HZ1 LYS 75 -21.349 43.839 1.004 1.00 61.22 ATOM 1223 HZ2 LYS 75 -21.697 43.839 -0.654 1.00 61.55 ATOM 1224 HZ3 LYS 75 -20.109 44.068 -0.123 1.00 3.42 ATOM 1225 C LYS 75 -22.008 41.694 -3.874 1.00 54.51 ATOM 1226 O LYS 75 -22.650 42.680 -4.239 1.00 62.21 ATOM 1227 N VAL 76 -20.680 41.656 -3.875 1.00 23.41 ATOM 1228 HN VAL 76 -20.222 40.836 -3.577 1.00 38.17 ATOM 1229 CA VAL 76 -19.882 42.794 -4.316 1.00 22.44 ATOM 1230 HA VAL 76 -20.232 43.675 -3.788 1.00 22.21 ATOM 1231 CB VAL 76 -18.390 42.593 -3.989 1.00 50.30 ATOM 1232 HB VAL 76 -18.303 42.328 -2.945 1.00 11.24 ATOM 1233 CG1 VAL 76 -17.809 41.458 -4.818 1.00 75.12 ATOM 1234 HG11 VAL 76 -16.792 41.276 -4.499 1.00 51.42 ATOM 1235 HG12 VAL 76 -17.804 41.713 -5.867 1.00 13.21 ATOM 1236 HG13 VAL 76 -18.385 40.564 -4.664 1.00 50.31 ATOM 1237 CG2 VAL 76 -17.617 43.883 -4.220 1.00 64.31 ATOM 1238 HG21 VAL 76 -17.645 44.151 -5.267 1.00 21.15 ATOM 1239 HG22 VAL 76 -16.589 43.745 -3.916 1.00 53.10 ATOM 1240 HG23 VAL 76 -18.055 44.679 -3.634 1.00 73.21 ATOM 1241 C VAL 76 -20.036 43.025 -5.815 1.00 10.35 ATOM 1242 O VAL 76 -19.949 44.157 -6.290 1.00 63.12 ATOM 1243 N ALA 77 -20.266 41.945 -6.554 1.00 54.30 ATOM 1244 HN ALA 77 -20.307 41.060 -6.126 1.00 38.17 ATOM 1245 CA ALA 77 -20.436 42.031 -7.999 1.00 64.12 ATOM 1246 HA ALA 77 -19.540 42.413 -8.407 1.00 51.03 ATOM 1247 CB ALA 77 -20.664 40.646 -8.587 1.00 12.22 ATOM 1248 HB1 ALA 77 -20.730 40.714 -9.664 1.00 14.52 ATOM 1249 HB2 ALA 77 -21.582 40.230 -8.195 1.00 41.32 ATOM 1250 HB3 ALA 77 -19.838 40.004 -8.319 1.00 20.25 ATOM 1251 C ALA 77 -21.590 42.959 -8.363 1.00 4.11 ATOM 1252 O ALA 77 -21.648 43.487 -9.473 1.00 5.32 ATOM 1253 N ALA 78 -22.507 43.153 -7.421 1.00 24.44 ATOM 1254 HN ALA 78 -22.460 42.655 -6.576 1.00 38.17 ATOM 1255 CA ALA 78 -23.658 44.018 -7.642 1.00 14.10 ATOM 1256 HA ALA 78 -24.284 43.557 -8.394 1.00 71.24 ATOM 1257 CB ALA 78 -24.474 44.148 -6.364 1.00 52.12 ATOM 1258 HB1 ALA 78 -25.356 44.744 -6.554 1.00 21.31 ATOM 1259 HB2 ALA 78 -23.877 44.621 -5.597 1.00 50.21 ATOM 1260 HB3 ALA 78 -24.772 43.165 -6.029 1.00 54.13 ATOM 1261 C ALA 78 -23.224 45.394 -8.137 1.00 34.40 ATOM 1262 O ALA 78 -23.936 46.038 -8.907 1.00 43.30 ATOM 1263 N GLN 79 -22.054 45.836 -7.689 1.00 50.42 ATOM 1264 HN GLN 79 -21.533 45.295 -7.052 1.00 38.17 ATOM 1265 CA GLN 79 -21.527 47.137 -8.086 1.00 71.44 ATOM 1266 HA GLN 79 -22.354 47.831 -8.179 1.00 44.55 ATOM 1267 CB GLN 79 -20.566 47.668 -7.022 1.00 21.13 ATOM 1268 HB1 GLN 79 -21.020 47.520 -6.051 1.00 38.17 ATOM 1269 HB2 GLN 79 -20.431 48.730 -7.171 1.00 74.41 ATOM 1270 CG GLN 79 -19.217 46.967 -7.016 1.00 43.40 ATOM 1271 HG1 GLN 79 -19.296 46.005 -7.469 1.00 38.17 ATOM 1272 HG2 GLN 79 -18.906 46.844 -5.989 1.00 40.33 ATOM 1273 CD GLN 79 -18.145 47.760 -7.737 1.00 45.22 ATOM 1274 OE1 GLN 79 -18.431 48.769 -8.383 1.00 63.32 ATOM 1275 NE2 GLN 79 -16.901 47.307 -7.631 1.00 3.54 ATOM 1276 HE21 GLN 79 -16.730 46.495 -7.102 1.00 64.03 ATOM 1277 HE22 GLN 79 -16.194 47.806 -8.090 1.00 72.22 ATOM 1278 C GLN 79 -20.815 47.047 -9.432 1.00 41.31 ATOM 1279 O GLN 79 -20.739 48.028 -10.171 1.00 61.22 ATOM 1280 N ASN 80 -20.294 45.865 -9.743 1.00 73.32 ATOM 1281 HN ASN 80 -20.377 45.119 -9.126 1.00 38.17 ATOM 1282 CA ASN 80 -19.587 45.648 -11.000 1.00 71.31 ATOM 1283 HA ASN 80 -19.553 46.574 -11.560 1.00 3.21 ATOM 1284 CB ASN 80 -18.150 45.198 -10.730 1.00 21.24 ATOM 1285 HB1 ASN 80 -17.600 46.035 -10.326 1.00 38.17 ATOM 1286 HB2 ASN 80 -17.677 44.887 -11.654 1.00 21.21 ATOM 1287 CG ASN 80 -18.078 44.063 -9.726 1.00 55.02 ATOM 1288 OD1 ASN 80 -18.166 44.282 -8.518 1.00 22.32 ATOM 1289 ND2 ASN 80 -17.918 42.842 -10.224 1.00 55.41 ATOM 1290 HD21 ASN 80 -17.860 42.727 -11.200 1.00 74.53 ATOM 1291 HD22 ASN 80 -17.846 42.096 -9.594 1.00 2.21 ATOM 1292 C ASN 80 -20.305 44.608 -11.856 1.00 3.14 ATOM 1293 O ASN 80 -19.674 43.724 -12.435 1.00 72.52 ATOM 1294 N TYR 81 -21.626 44.722 -11.930 1.00 71.31 ATOM 1295 HN TYR 81 -22.082 45.445 -11.442 1.00 38.17 ATOM 1296 CA TYR 81 -22.430 43.791 -12.713 1.00 52.02 ATOM 1297 HA TYR 81 -21.812 42.959 -13.029 1.00 22.40 ATOM 1298 CB TYR 81 -23.577 43.238 -11.866 1.00 32.40 ATOM 1299 HB1 TYR 81 -24.122 44.065 -11.430 1.00 38.17 ATOM 1300 HB2 TYR 81 -23.165 42.634 -11.071 1.00 12.24 ATOM 1301 CG TYR 81 -24.549 42.382 -12.647 1.00 24.30 ATOM 1302 CD1 TYR 81 -24.361 41.010 -12.760 1.00 61.24 ATOM 1303 HD1 TYR 81 -23.506 40.552 -12.282 1.00 4.22 ATOM 1304 CD2 TYR 81 -25.655 42.945 -13.271 1.00 11.22 ATOM 1305 HD2 TYR 81 -25.820 44.011 -13.194 1.00 34.34 ATOM 1306 CE1 TYR 81 -25.246 40.224 -13.474 1.00 5.43 ATOM 1307 HE1 TYR 81 -25.083 39.159 -13.550 1.00 31.41 ATOM 1308 CE2 TYR 81 -26.546 42.167 -13.985 1.00 2.31 ATOM 1309 HE2 TYR 81 -27.400 42.624 -14.463 1.00 50.42 ATOM 1310 CZ TYR 81 -26.336 40.808 -14.084 1.00 34.51 ATOM 1311 OH TYR 81 -27.221 40.028 -14.794 1.00 43.31 ATOM 1312 HH TYR 81 -27.758 39.508 -14.188 1.00 63.32 ATOM 1313 C TYR 81 -22.986 44.469 -13.962 1.00 34.42 ATOM 1314 O TYR 81 -23.170 43.830 -14.998 1.00 51.34 ATOM 1315 N ARG 82 -23.252 45.766 -13.854 1.00 43.43 ATOM 1316 HN ARG 82 -23.119 46.225 -12.997 1.00 38.17 ATOM 1317 CA ARG 82 -23.787 46.532 -14.973 1.00 53.05 ATOM 1318 HA ARG 82 -24.775 46.151 -15.172 1.00 34.42 ATOM 1319 CB ARG 82 -23.860 48.017 -14.615 1.00 3.43 ATOM 1320 HB1 ARG 82 -23.791 48.616 -15.517 1.00 38.17 ATOM 1321 HB2 ARG 82 -23.026 48.266 -13.974 1.00 5.04 ATOM 1322 CG ARG 82 -25.139 48.408 -13.893 1.00 72.02 ATOM 1323 HG1 ARG 82 -25.075 49.448 -13.609 1.00 38.17 ATOM 1324 HG2 ARG 82 -25.246 47.798 -13.008 1.00 60.11 ATOM 1325 CD ARG 82 -26.360 48.212 -14.778 1.00 40.35 ATOM 1326 HD1 ARG 82 -26.534 47.153 -14.895 1.00 38.17 ATOM 1327 HD2 ARG 82 -26.176 48.657 -15.747 1.00 31.43 ATOM 1328 NE ARG 82 -27.556 48.824 -14.205 1.00 44.32 ATOM 1329 HE ARG 82 -27.449 49.379 -13.397 1.00 62.23 ATOM 1330 CZ ARG 82 -28.773 48.676 -14.714 1.00 75.15 ATOM 1331 NH1 ARG 82 -28.956 47.939 -15.802 1.00 3.42 ATOM 1332 HH11 ARG 82 -28.193 47.485 -16.258 1.00 60.24 ATOM 1333 HH12 ARG 82 -29.879 47.832 -16.178 1.00 0.34 ATOM 1334 NH2 ARG 82 -29.812 49.265 -14.136 1.00 33.44 ATOM 1335 HH21 ARG 82 -29.682 49.823 -13.314 1.00 2.43 ATOM 1336 HH22 ARG 82 -30.732 49.155 -14.519 1.00 32.53 ATOM 1337 C ARG 82 -22.932 46.340 -16.222 1.00 44.53 ATOM 1338 O ARG 82 -21.715 46.527 -16.189 1.00 60.42 ATOM 1339 N LYS 83 -23.576 45.967 -17.323 1.00 25.12 ATOM 1340 HN LYS 83 -24.552 45.823 -17.288 1.00 38.17 ATOM 1341 CA LYS 83 -22.875 45.750 -18.583 1.00 54.43 ATOM 1342 HA LYS 83 -22.156 46.549 -18.718 1.00 24.24 ATOM 1343 CB LYS 83 -22.131 44.414 -18.554 1.00 22.32 ATOM 1344 HB1 LYS 83 -21.477 44.402 -17.694 1.00 38.17 ATOM 1345 HB2 LYS 83 -21.531 44.332 -19.451 1.00 22.21 ATOM 1346 CG LYS 83 -23.050 43.207 -18.472 1.00 41.21 ATOM 1347 HG1 LYS 83 -23.755 43.238 -19.290 1.00 38.17 ATOM 1348 HG2 LYS 83 -23.592 43.239 -17.537 1.00 63.51 ATOM 1349 CD LYS 83 -22.272 41.906 -18.570 1.00 23.31 ATOM 1350 HD1 LYS 83 -21.453 42.017 -19.269 1.00 38.17 ATOM 1351 HD2 LYS 83 -22.939 41.133 -18.923 1.00 64.20 ATOM 1352 CE LYS 83 -21.717 41.485 -17.217 1.00 73.25 ATOM 1353 HE1 LYS 83 -22.533 41.138 -16.600 1.00 38.17 ATOM 1354 HE2 LYS 83 -21.244 42.336 -16.744 1.00 23.10 ATOM 1355 NZ LYS 83 -20.711 40.395 -17.345 1.00 70.45 ATOM 1356 HZ1 LYS 83 -20.352 40.132 -16.405 1.00 35.30 ATOM 1357 HZ2 LYS 83 -19.910 40.708 -17.931 1.00 61.01 ATOM 1358 HZ3 LYS 83 -21.141 39.555 -17.785 1.00 54.41 ATOM 1359 C LYS 83 -23.848 45.776 -19.758 1.00 14.43 ATOM 1360 O LYS 83 -25.061 45.664 -19.574 1.00 65.51 ATOM 1361 N ARG 84 -23.310 45.925 -20.963 1.00 63.55 ATOM 1362 HN ARG 84 -22.330 46.011 -21.046 1.00 38.17 ATOM 1363 CA ARG 84 -24.131 45.965 -22.167 1.00 61.15 ATOM 1364 HA ARG 84 -24.801 46.814 -22.082 1.00 62.01 ATOM 1365 CB ARG 84 -23.250 46.144 -23.405 1.00 71.55 ATOM 1366 HB1 ARG 84 -23.810 45.841 -24.283 1.00 38.17 ATOM 1367 HB2 ARG 84 -22.380 45.509 -23.311 1.00 32.43 ATOM 1368 CG ARG 84 -22.777 47.573 -23.615 1.00 71.33 ATOM 1369 HG1 ARG 84 -22.130 47.852 -22.796 1.00 38.17 ATOM 1370 HG2 ARG 84 -23.635 48.229 -23.639 1.00 33.33 ATOM 1371 CD ARG 84 -22.012 47.720 -24.921 1.00 40.22 ATOM 1372 HD1 ARG 84 -21.153 47.063 -24.889 1.00 38.17 ATOM 1373 HD2 ARG 84 -21.665 48.739 -25.016 1.00 0.14 ATOM 1374 NE ARG 84 -22.828 47.361 -26.077 1.00 74.45 ATOM 1375 HE ARG 84 -22.695 46.467 -26.462 1.00 61.05 ATOM 1376 CZ ARG 84 -23.727 48.172 -26.624 1.00 3.41 ATOM 1377 NH1 ARG 84 -23.923 49.384 -26.122 1.00 25.22 ATOM 1378 HH11 ARG 84 -23.412 49.713 -25.332 1.00 65.34 ATOM 1379 HH12 ARG 84 -24.601 49.989 -26.545 1.00 23.41 ATOM 1380 NH2 ARG 84 -24.431 47.773 -27.675 1.00 40.12 ATOM 1381 HH21 ARG 84 -24.287 46.859 -28.060 1.00 21.34 ATOM 1382 HH22 ARG 84 -25.110 48.384 -28.089 1.00 23.45 ATOM 1383 C ARG 84 -24.963 44.693 -22.301 1.00 63.41 ATOM 1384 O ARG 84 -24.485 43.593 -22.020 1.00 53.11 ATOM 1385 N LYS 85 -26.210 44.850 -22.732 1.00 22.15 ATOM 1386 HN LYS 85 -26.534 45.755 -22.956 1.00 38.17 ATOM 1387 CA LYS 85 -27.109 43.715 -22.904 1.00 12.23 ATOM 1388 HA LYS 85 -26.898 42.991 -22.123 1.00 4.22 ATOM 1389 CB LYS 85 -28.565 44.166 -22.761 1.00 62.51 ATOM 1390 HB1 LYS 85 -28.754 44.962 -23.467 1.00 38.17 ATOM 1391 HB2 LYS 85 -28.706 44.546 -21.758 1.00 71.54 ATOM 1392 CG LYS 85 -29.572 43.056 -23.010 1.00 41.25 ATOM 1393 HG1 LYS 85 -29.265 42.174 -22.459 1.00 38.17 ATOM 1394 HG2 LYS 85 -29.597 42.833 -24.067 1.00 51.14 ATOM 1395 CD LYS 85 -30.968 43.461 -22.568 1.00 30.44 ATOM 1396 HD1 LYS 85 -31.376 44.149 -23.294 1.00 38.17 ATOM 1397 HD2 LYS 85 -30.917 43.947 -21.601 1.00 43.53 ATOM 1398 CE LYS 85 -31.890 42.256 -22.461 1.00 22.52 ATOM 1399 HE1 LYS 85 -31.645 41.536 -23.232 1.00 38.17 ATOM 1400 HE2 LYS 85 -32.907 42.592 -22.603 1.00 63.34 ATOM 1401 NZ LYS 85 -31.790 41.597 -21.129 1.00 12.32 ATOM 1402 HZ1 LYS 85 -32.432 40.780 -21.089 1.00 1.35 ATOM 1403 HZ2 LYS 85 -32.053 42.264 -20.374 1.00 2.31 ATOM 1404 HZ3 LYS 85 -30.817 41.266 -20.961 1.00 44.43 ATOM 1405 C LYS 85 -26.900 43.057 -24.264 1.00 35.02 ATOM 1406 O LYS 85 -26.732 43.739 -25.276 1.00 33.13 ATOM 1407 N LEU 86 -26.914 41.729 -24.281 1.00 62.33 ATOM 1408 HN LEU 86 -27.044 41.230 -23.441 1.00 38.17 ATOM 1409 CA LEU 86 -26.728 40.978 -25.518 1.00 45.02 ATOM 1410 HA LEU 86 -26.800 41.652 -26.358 1.00 22.25 ATOM 1411 CB LEU 86 -25.355 40.303 -25.527 1.00 3.34 ATOM 1412 HB1 LEU 86 -25.361 39.501 -26.259 1.00 38.17 ATOM 1413 HB2 LEU 86 -25.201 39.860 -24.551 1.00 74.14 ATOM 1414 CG LEU 86 -24.163 41.210 -25.836 1.00 10.11 ATOM 1415 HG LEU 86 -24.177 42.054 -25.161 1.00 22.22 ATOM 1416 CD1 LEU 86 -22.855 40.463 -25.625 1.00 51.34 ATOM 1417 HD11 LEU 86 -22.023 41.124 -25.825 1.00 44.05 ATOM 1418 HD12 LEU 86 -22.807 39.614 -26.293 1.00 34.13 ATOM 1419 HD13 LEU 86 -22.796 40.117 -24.602 1.00 75.24 ATOM 1420 CD2 LEU 86 -24.253 41.742 -27.259 1.00 24.21 ATOM 1421 HD21 LEU 86 -25.140 42.346 -27.368 1.00 45.22 ATOM 1422 HD22 LEU 86 -24.292 40.917 -27.956 1.00 42.34 ATOM 1423 HD23 LEU 86 -23.384 42.350 -27.475 1.00 1.33 ATOM 1424 C LEU 86 -27.823 39.930 -25.689 1.00 42.34 ATOM 1425 O LEU 86 -28.611 39.688 -24.776 1.00 51.52 ATOM 1426 N GLU 87 -27.863 39.311 -26.865 1.00 34.41 ATOM 1427 HN GLU 87 -27.195 39.539 -27.555 1.00 38.17 ATOM 1428 CA GLU 87 -28.861 38.288 -27.154 1.00 74.33 ATOM 1429 HA GLU 87 -29.810 38.614 -26.736 1.00 71.03 ATOM 1430 CB GLU 87 -29.025 38.117 -28.666 1.00 34.20 ATOM 1431 HB1 GLU 87 -29.440 37.136 -28.862 1.00 38.17 ATOM 1432 HB2 GLU 87 -28.051 38.180 -29.133 1.00 70.24 ATOM 1433 CG GLU 87 -29.923 39.165 -29.303 1.00 65.52 ATOM 1434 HG1 GLU 87 -29.320 40.020 -29.571 1.00 38.17 ATOM 1435 HG2 GLU 87 -30.682 39.470 -28.595 1.00 53.43 ATOM 1436 CD GLU 87 -30.619 38.656 -30.550 1.00 70.33 ATOM 1437 OE1 GLU 87 -30.820 39.458 -31.486 1.00 43.12 ATOM 1438 OE2 GLU 87 -30.964 37.456 -30.591 1.00 4.24 ATOM 1439 C GLU 87 -28.474 36.955 -26.520 1.00 33.13 ATOM 1440 O GLU 87 -27.460 36.354 -26.878 1.00 14.45 ATOM 1441 N THR 88 -29.289 36.497 -25.574 1.00 53.42 ATOM 1442 HN THR 88 -30.088 37.013 -25.321 1.00 38.17 ATOM 1443 CA THR 88 -29.033 35.238 -24.888 1.00 24.41 ATOM 1444 HA THR 88 -28.130 34.793 -25.293 1.00 41.35 ATOM 1445 CB THR 88 -28.837 35.452 -23.375 1.00 62.21 ATOM 1446 HB THR 88 -29.749 35.210 -22.843 1.00 43.54 ATOM 1447 OG1 THR 88 -28.528 36.825 -23.111 1.00 24.34 ATOM 1448 HG1 THR 88 -27.719 37.092 -23.568 1.00 60.25 ATOM 1449 CG2 THR 88 -27.722 34.564 -22.843 1.00 30.03 ATOM 1450 HG21 THR 88 -27.605 34.733 -21.783 1.00 72.10 ATOM 1451 HG22 THR 88 -26.797 34.802 -23.348 1.00 74.03 ATOM 1452 HG23 THR 88 -27.971 33.527 -23.016 1.00 61.31 ATOM 1453 C THR 88 -30.173 34.250 -25.106 1.00 52.23 ATOM 1454 O THR 88 -30.461 33.419 -24.244 1.00 41.41 ATOM 1455 N ILE 89 -30.819 34.346 -26.264 1.00 23.32 ATOM 1456 HN ILE 89 -30.546 35.011 -26.933 1.00 38.17 ATOM 1457 CA ILE 89 -31.927 33.459 -26.595 1.00 61.23 ATOM 1458 HA ILE 89 -32.385 33.829 -27.503 1.00 64.11 ATOM 1459 CB ILE 89 -31.440 32.019 -26.846 1.00 13.25 ATOM 1460 HB ILE 89 -31.019 31.634 -25.926 1.00 24.34 ATOM 1461 CG1 ILE 89 -30.360 32.004 -27.929 1.00 24.25 ATOM 1462 HG11 ILE 89 -29.548 32.656 -27.638 1.00 38.17 ATOM 1463 HG12 ILE 89 -30.779 32.356 -28.860 1.00 72.11 ATOM 1464 CG2 ILE 89 -32.607 31.127 -27.241 1.00 73.05 ATOM 1465 HG21 ILE 89 -33.061 31.505 -28.146 1.00 71.14 ATOM 1466 HG22 ILE 89 -33.347 31.094 -26.461 1.00 55.33 ATOM 1467 HG23 ILE 89 -32.259 30.121 -27.417 1.00 53.33 ATOM 1468 CD1 ILE 89 -29.772 30.632 -28.176 1.00 42.22 ATOM 1469 HD11 ILE 89 -28.905 30.725 -28.814 1.00 32.10 ATOM 1470 HD12 ILE 89 -30.505 30.006 -28.662 1.00 22.21 ATOM 1471 HD13 ILE 89 -29.478 30.184 -27.237 1.00 34.10 ATOM 1472 C ILE 89 -32.971 33.445 -25.484 1.00 70.30 ATOM 1473 O ILE 89 -33.042 32.502 -24.696 1.00 24.24 ATOM 1474 N VAL 90 -33.782 34.496 -25.428 1.00 53.23 ATOM 1475 HN VAL 90 -33.670 35.231 -26.077 1.00 38.17 ATOM 1476 CA VAL 90 -34.826 34.604 -24.416 1.00 4.04 ATOM 1477 HA VAL 90 -35.127 33.607 -24.108 1.00 2.52 ATOM 1478 CB VAL 90 -34.327 35.370 -23.176 1.00 33.34 ATOM 1479 HB VAL 90 -35.173 35.616 -22.546 1.00 32.11 ATOM 1480 CG1 VAL 90 -33.384 34.503 -22.356 1.00 64.21 ATOM 1481 HG11 VAL 90 -33.881 33.582 -22.084 1.00 75.40 ATOM 1482 HG12 VAL 90 -33.100 35.031 -21.457 1.00 42.21 ATOM 1483 HG13 VAL 90 -32.499 34.277 -22.931 1.00 11.40 ATOM 1484 CG2 VAL 90 -33.649 36.668 -23.588 1.00 73.52 ATOM 1485 HG21 VAL 90 -34.332 37.271 -24.170 1.00 3.34 ATOM 1486 HG22 VAL 90 -32.769 36.454 -24.177 1.00 21.24 ATOM 1487 HG23 VAL 90 -33.359 37.218 -22.703 1.00 24.22 ATOM 1488 C VAL 90 -36.060 35.306 -24.971 1.00 21.13 ATOM 1489 O VAL 90 -36.031 35.853 -26.073 1.00 32.22 ATOM 1490 N GLN 91 -37.142 35.286 -24.199 1.00 50.53 ATOM 1491 HN GLN 91 -37.102 34.831 -23.323 1.00 38.17 ATOM 1492 HA GLN 91 -38.710 35.455 -25.536 1.00 24.31 ATOM 1493 CB GLN 91 -39.469 35.715 -23.553 1.00 23.22 ATOM 1494 HB1 GLN 91 -39.556 34.655 -23.356 1.00 38.17 ATOM 1495 HB2 GLN 91 -40.412 36.079 -23.938 1.00 30.30 ATOM 1496 CG GLN 91 -39.180 36.430 -22.243 1.00 42.30 ATOM 1497 HG1 GLN 91 -39.304 37.493 -22.394 1.00 38.17 ATOM 1498 HG2 GLN 91 -38.157 36.228 -21.951 1.00 43.23 ATOM 1499 CD GLN 91 -40.090 35.978 -21.118 1.00 24.11 ATOM 1500 OE1 GLN 91 -40.137 34.795 -20.780 1.00 22.21 ATOM 1501 NE2 GLN 91 -40.819 36.920 -20.531 1.00 24.33 ATOM 1502 HE21 GLN 91 -40.743 37.851 -20.840 1.00 12.34 ATOM 1503 HE22 GLN 91 -41.413 36.646 -19.801 1.00 43.23 ATOM 1504 CA GLN 91 -38.387 35.921 -24.615 1.00 12.43 ATOM 1505 C GLN 91 -38.181 37.412 -24.865 1.00 33.25 ATOM 1506 OT1 GLN 91 -37.475 38.069 -24.066 1.00 38.17 ATOM 1507 OT2 GLN 91 -38.730 37.919 -25.866 1.00 38.17 ATOM 1508 OH2 TIP3 1 -37.215 32.155 -33.214 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -37.656 31.435 -32.764 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -37.228 32.876 -32.584 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -40.104 37.260 -33.002 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -39.484 36.583 -33.275 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -40.312 37.042 -32.094 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -33.477 24.728 -28.013 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -34.166 25.386 -28.108 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -33.462 24.531 -27.076 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -36.703 33.995 -30.866 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -37.645 34.053 -30.705 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -36.427 34.901 -31.003 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -37.830 27.589 -27.463 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -37.750 28.352 -26.891 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -38.431 27.868 -28.154 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -39.406 34.317 -30.281 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -39.647 34.979 -29.633 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -39.604 33.483 -29.856 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -44.835 33.213 -26.298 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -45.147 33.995 -25.842 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -45.485 33.060 -26.984 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -46.596 35.285 -25.534 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -46.588 35.149 -26.482 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -47.512 35.167 -25.282 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -42.072 34.498 -26.802 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -41.985 35.324 -26.327 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -42.936 34.168 -26.553 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -35.899 26.417 -25.198 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -36.306 26.898 -25.918 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -35.858 25.512 -25.505 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -41.451 31.458 -26.889 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -41.797 31.077 -26.083 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -41.651 32.392 -26.818 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -38.014 29.759 -31.085 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -38.942 29.527 -31.112 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -37.563 28.982 -31.415 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -43.529 35.899 -29.061 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -43.166 36.754 -29.294 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -42.997 35.607 -28.320 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -39.985 31.998 -29.360 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -40.411 31.771 -28.534 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -39.404 31.260 -29.543 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -35.745 23.797 -26.642 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -36.661 24.060 -26.730 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -35.409 23.794 -27.539 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -37.143 27.548 -32.546 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -37.940 27.133 -32.875 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -36.698 26.857 -32.055 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -36.056 36.804 -30.924 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -36.212 37.482 -31.581 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -35.124 36.876 -30.721 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -45.745 36.394 -23.076 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -44.977 35.935 -22.735 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -45.766 36.168 -24.006 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -43.780 31.255 -24.309 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -44.108 31.526 -25.167 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -43.628 30.314 -24.397 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -38.045 31.171 -26.926 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -37.300 31.759 -27.046 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -38.802 31.753 -26.863 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -40.636 29.965 -23.670 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -39.683 30.049 -23.698 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -40.796 29.254 -23.051 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -37.590 29.262 -25.027 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -37.871 29.971 -25.605 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -36.647 29.189 -25.178 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -33.491 27.515 -24.911 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -34.354 27.136 -25.076 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -32.887 26.776 -24.985 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -35.522 25.806 -31.336 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -34.589 26.018 -31.370 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -35.757 25.908 -30.413 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -35.493 26.543 -28.560 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -36.336 26.811 -28.194 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -35.050 27.365 -28.771 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -36.602 37.544 -35.123 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -35.949 37.197 -35.731 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -36.091 38.033 -34.477 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -41.683 38.192 -30.068 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -42.140 38.721 -30.722 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -41.520 38.795 -29.343 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -34.622 37.324 -37.115 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.816 36.576 -37.680 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -34.661 38.082 -37.699 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -39.854 29.961 -16.079 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -39.765 30.905 -16.211 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -40.493 29.686 -16.737 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -37.215 32.155 -14.358 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -37.656 31.435 -13.908 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -37.228 32.876 -13.728 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -40.104 37.260 -14.146 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -39.484 36.583 -14.419 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -40.312 37.042 -13.238 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -40.057 32.562 -17.036 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -40.353 32.240 -17.887 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -40.381 33.462 -16.994 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -38.451 35.776 -15.385 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -38.026 35.069 -15.870 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -38.134 36.577 -15.802 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -37.292 33.677 -16.876 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -37.549 32.987 -17.488 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -37.221 33.234 -16.031 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -41.133 29.205 -18.627 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -41.845 29.740 -18.978 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -40.442 29.261 -19.287 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -41.079 27.663 -21.588 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -40.378 27.685 -20.937 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -40.777 27.035 -22.244 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -37.727 29.415 -17.675 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -38.459 29.643 -17.102 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -37.280 28.701 -17.220 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -38.856 28.577 -19.990 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -38.277 28.727 -19.243 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -38.442 29.048 -20.713 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -41.130 35.314 -16.555 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -40.656 35.609 -15.777 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -41.693 36.052 -16.788 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -33.051 34.924 -6.822 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -33.100 33.969 -6.859 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -33.877 35.192 -6.420 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -37.379 29.610 -22.360 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -37.337 29.387 -23.290 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -36.530 30.008 -22.170 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -42.971 31.274 -19.270 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -43.715 30.767 -19.593 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -43.105 31.323 -18.324 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -33.506 31.965 -6.879 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -34.358 32.203 -7.246 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -32.916 31.948 -7.632 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -45.471 34.087 -16.096 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -44.944 34.860 -16.297 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -46.351 34.312 -16.398 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -44.044 31.750 -16.520 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -44.285 32.675 -16.478 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -44.784 31.291 -16.124 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -45.360 36.772 -16.975 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -46.310 36.877 -16.923 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -45.009 37.592 -16.630 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -36.916 31.600 -19.204 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -37.193 30.872 -18.648 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -35.989 31.719 -18.998 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -43.691 34.039 -22.983 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -43.452 33.291 -23.531 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -43.960 33.651 -22.151 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -44.754 33.609 -20.527 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -44.607 33.089 -19.737 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -44.757 34.516 -20.221 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -47.685 33.476 -21.120 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -47.093 34.175 -20.844 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -47.226 33.043 -21.839 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -46.094 31.629 -22.754 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -46.030 30.835 -22.223 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -45.441 31.510 -23.443 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -44.945 29.601 -20.448 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -45.404 29.117 -19.762 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -44.690 28.933 -21.084 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -33.340 37.454 -11.839 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -33.362 37.639 -10.900 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -32.650 38.023 -12.180 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -35.326 32.811 -4.279 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -36.192 32.706 -3.885 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -34.950 33.570 -3.832 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -34.025 31.068 -18.765 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -33.175 31.489 -18.637 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -34.020 30.328 -18.157 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -33.631 29.121 -16.941 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -34.357 28.642 -16.543 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -33.050 29.327 -16.209 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -33.363 29.022 -20.550 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -33.884 29.379 -21.269 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -33.396 29.697 -19.872 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -35.014 26.262 -21.999 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -34.917 26.929 -22.679 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -35.154 25.446 -22.481 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -33.491 27.515 -6.055 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -34.354 27.136 -6.220 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -32.887 26.776 -6.129 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -36.602 37.544 -16.267 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -35.949 37.197 -16.875 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -36.091 38.033 -15.621 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -34.622 37.324 -18.259 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -34.816 36.576 -18.824 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -34.661 38.082 -18.843 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -48.377 37.471 -22.311 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -48.645 37.758 -21.438 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -47.606 36.925 -22.159 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -35.404 36.075 -6.109 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -36.186 35.889 -6.629 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -35.476 37.004 -5.892 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -39.854 29.961 2.777 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -39.765 30.905 2.645 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -40.493 29.686 2.119 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -37.215 32.155 4.498 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -37.656 31.435 4.948 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -37.228 32.876 5.128 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -40.104 37.260 4.710 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -39.484 36.583 4.437 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -40.312 37.042 5.618 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -33.869 23.250 7.463 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -33.820 23.860 8.199 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -33.443 23.711 6.740 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -33.477 24.728 9.699 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -34.166 25.386 9.604 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -33.462 24.531 10.636 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -40.057 32.562 1.820 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -40.353 32.240 0.969 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -40.381 33.462 1.862 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -36.703 33.995 6.846 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -37.645 34.053 7.007 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -36.427 34.901 6.709 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -38.451 35.776 3.471 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -38.026 35.069 2.986 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -38.134 36.577 3.054 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -37.292 33.677 1.980 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -37.549 32.987 1.368 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -37.221 33.234 2.825 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -35.606 32.243 10.457 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -35.466 31.652 9.718 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -35.438 33.116 10.101 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -37.727 29.415 1.181 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -38.459 29.643 1.754 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -37.280 28.701 1.636 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -37.830 27.589 10.249 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -37.750 28.352 10.821 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -38.431 27.868 9.558 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -39.406 34.317 7.431 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -39.647 34.979 8.079 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -39.604 33.483 7.856 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -38.856 28.577 -1.134 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -38.277 28.727 -0.387 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -38.442 29.048 -1.857 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -33.968 34.693 -2.944 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -33.895 35.632 -2.774 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -33.063 34.388 -3.001 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -33.051 34.924 12.034 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -33.100 33.969 11.997 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -33.877 35.192 12.436 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -38.556 37.424 -2.281 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -38.181 36.680 -2.752 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -38.552 37.154 -1.363 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -38.887 37.350 0.468 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -39.822 37.450 0.647 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -38.607 36.641 1.046 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -35.899 26.417 12.514 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -36.306 26.898 11.794 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -35.858 25.512 12.207 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -37.379 29.610 -3.504 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -37.337 29.387 -4.434 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -36.530 30.008 -3.314 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -35.821 30.407 8.372 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -35.179 30.864 7.829 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -36.651 30.520 7.910 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -40.845 32.733 -1.389 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -41.140 33.559 -1.007 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -41.548 32.113 -1.193 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -33.470 26.165 -0.860 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -34.024 25.769 -1.532 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -33.369 27.075 -1.137 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -38.014 29.759 6.627 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -38.942 29.527 6.600 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -37.563 28.982 6.297 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -37.782 32.927 -2.574 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -37.429 32.547 -1.770 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -38.731 32.834 -2.488 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -33.278 37.407 -2.373 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -32.535 37.993 -2.513 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -33.973 37.975 -2.040 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -36.916 31.600 -0.348 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -37.193 30.872 0.208 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -35.989 31.719 -0.142 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.745 23.797 11.070 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -36.661 24.060 10.982 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.409 23.794 10.173 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -37.143 27.548 5.166 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.940 27.133 4.837 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -36.698 26.857 5.657 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -36.056 36.804 6.788 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -36.212 37.482 6.131 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -35.124 36.876 6.991 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -37.049 35.719 -3.755 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -36.766 34.925 -3.302 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -36.309 35.952 -4.316 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -38.045 31.171 10.786 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -37.300 31.759 10.666 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.802 31.753 10.849 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -34.484 30.199 -3.884 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -34.757 29.774 -4.697 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -34.444 31.130 -4.101 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -37.590 29.262 12.685 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -37.871 29.971 12.107 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -36.647 29.189 12.534 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -33.340 37.454 7.017 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -33.362 37.639 7.956 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -32.650 38.023 6.676 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -33.777 37.021 9.939 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -34.264 36.286 9.568 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -33.228 36.628 10.617 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -35.326 32.811 14.577 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -36.192 32.706 14.971 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -34.950 33.570 15.024 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -35.385 34.784 9.170 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -36.033 35.109 9.795 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -35.903 34.344 8.495 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -33.363 29.022 -1.694 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -33.884 29.379 -2.413 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -33.396 29.697 -1.016 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -35.014 26.262 -3.143 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -34.917 26.929 -3.823 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -35.154 25.446 -3.625 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -35.844 27.642 2.478 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -35.994 26.697 2.458 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -36.198 27.923 3.322 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -33.491 27.515 12.801 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -34.354 27.136 12.636 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -32.887 26.776 12.727 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -36.134 25.225 0.940 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -35.854 24.318 1.065 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -35.375 25.659 0.551 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -35.522 25.806 6.376 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -34.589 26.018 6.342 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -35.757 25.908 7.299 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -35.493 26.543 9.152 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -36.336 26.811 9.518 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -35.050 27.365 8.941 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -33.210 20.523 14.506 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.860 19.869 13.900 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -33.063 21.360 14.066 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -33.690 22.632 12.855 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -34.607 22.903 12.819 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.567 22.097 12.071 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -33.654 22.555 -2.483 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -33.241 21.834 -2.959 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -32.972 23.225 -2.425 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -36.602 37.544 2.589 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -35.949 37.197 1.981 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -36.091 38.033 3.235 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -34.622 37.324 0.597 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -34.816 36.576 0.032 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -34.661 38.082 0.013 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -35.404 36.075 12.747 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -36.186 35.889 12.227 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -35.476 37.004 12.964 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -37.379 29.610 15.352 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -37.337 29.387 14.422 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -36.530 30.008 15.542 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -33.470 26.165 17.996 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -34.024 25.769 17.324 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -33.369 27.075 17.719 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -34.484 30.199 14.972 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -34.757 29.774 14.159 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.444 31.130 14.755 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -34.025 31.068 18.947 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -33.175 31.489 19.075 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -34.020 30.328 19.555 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -33.631 29.121 20.771 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -34.357 28.642 21.169 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -33.050 29.327 21.503 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -33.363 29.022 17.162 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -33.884 29.379 16.443 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -33.396 29.697 17.840 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -35.014 26.262 15.713 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -34.917 26.929 15.033 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -35.154 25.446 15.231 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -35.766 23.670 14.830 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.156 23.298 15.467 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -36.603 23.248 15.026 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -33.654 22.555 16.373 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -33.241 21.834 15.897 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -32.972 23.225 16.431 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -33.869 42.106 -30.249 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -33.820 42.716 -29.513 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -33.443 42.567 -30.972 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -33.477 43.584 -28.013 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -34.166 44.242 -28.108 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -33.462 43.387 -27.076 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -36.750 42.422 -33.128 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -36.965 41.656 -32.596 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -36.094 42.894 -32.615 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -36.403 41.137 -29.449 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -37.139 41.748 -29.487 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -35.719 41.552 -29.975 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -43.400 39.224 -31.983 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -43.517 38.275 -32.037 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -44.255 39.556 -31.710 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -35.899 45.273 -25.198 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -36.306 45.754 -25.918 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -35.858 44.368 -25.505 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -38.142 43.605 -26.977 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -38.656 43.479 -26.180 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -38.297 44.517 -27.222 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -39.056 41.976 -30.848 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -39.733 42.107 -30.184 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -39.542 41.821 -31.658 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -40.469 42.380 -28.594 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -39.771 42.454 -27.944 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -40.850 41.516 -28.439 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -41.949 44.746 -27.477 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -41.830 45.320 -26.720 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -41.294 44.058 -27.362 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -35.745 42.653 -26.642 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -36.661 42.916 -26.730 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -35.409 42.650 -27.539 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -44.904 42.075 -28.373 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -44.368 42.526 -29.025 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -45.756 41.967 -28.795 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -38.906 45.329 -23.105 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -38.714 44.398 -23.216 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -38.049 45.754 -23.115 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -44.098 39.531 -27.941 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -44.196 40.478 -28.047 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -44.841 39.159 -28.417 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -42.834 43.853 -24.378 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -43.070 43.633 -23.476 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -43.617 43.646 -24.887 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -40.118 42.980 -25.302 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -41.066 43.012 -25.170 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -39.806 42.355 -24.648 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -43.876 38.825 -25.270 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -43.164 38.185 -25.284 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -43.977 39.092 -26.184 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -43.523 40.508 -23.216 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -43.654 40.032 -24.037 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -44.122 41.252 -23.272 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -34.988 48.468 -25.595 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -34.405 47.734 -25.404 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -34.424 49.240 -25.549 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -33.491 46.371 -24.911 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -34.354 45.992 -25.076 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -32.887 45.632 -24.985 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -35.522 44.662 -31.336 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -34.589 44.874 -31.370 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -35.757 44.764 -30.413 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -35.493 45.399 -28.560 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -36.336 45.667 -28.194 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -35.050 46.221 -28.771 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -35.520 41.344 -36.723 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -35.338 40.895 -35.898 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -36.120 40.759 -37.187 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.689 39.578 -27.038 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -35.502 39.903 -27.426 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -34.456 38.818 -27.571 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -41.259 41.027 -32.715 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -41.934 40.398 -32.460 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -40.695 40.543 -33.318 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -36.117 39.134 -32.603 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -35.513 39.682 -33.104 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -36.986 39.454 -32.843 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -34.390 40.273 -34.269 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -33.778 39.759 -34.796 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -34.007 41.151 -34.246 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -38.796 39.618 -33.431 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -38.720 39.713 -34.380 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -39.072 38.710 -33.302 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -47.002 39.526 -23.840 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -46.103 39.252 -24.025 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -47.388 38.783 -23.376 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -37.215 51.011 -14.358 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -37.656 50.291 -13.908 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -37.228 51.732 -13.728 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -33.869 42.106 -11.393 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -33.820 42.716 -10.657 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -33.443 42.567 -12.116 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -38.514 43.131 -16.253 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -37.868 42.802 -15.628 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -38.004 43.649 -16.876 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -33.764 47.439 -10.333 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -34.416 48.134 -10.244 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -33.299 47.649 -11.143 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -35.158 39.183 -20.177 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -36.057 39.322 -19.882 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -34.906 40.014 -20.579 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -41.806 42.342 -21.690 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -42.060 42.361 -20.767 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -42.063 41.470 -21.991 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -44.924 42.787 -22.589 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -45.355 42.342 -21.859 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -45.642 43.159 -23.101 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -35.821 49.263 -10.484 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -35.179 49.720 -11.027 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -36.651 49.376 -10.946 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -39.073 42.944 -21.071 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -40.011 43.056 -21.222 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -38.776 43.801 -20.765 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -38.355 44.811 -19.410 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -37.463 44.674 -19.091 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -38.298 45.602 -19.947 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -33.470 45.021 -19.716 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -34.024 44.625 -20.388 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -33.369 45.931 -19.993 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -39.685 42.032 -18.641 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -39.465 42.504 -19.444 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -39.127 42.427 -17.970 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -42.485 43.760 -17.806 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -41.673 44.264 -17.760 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -42.730 43.615 -16.892 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -41.601 40.841 -16.868 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -41.948 41.459 -16.223 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -40.943 41.342 -17.349 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -45.944 41.904 -20.180 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -46.027 42.793 -19.834 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -45.054 41.639 -19.949 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -37.143 46.404 -13.690 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -37.940 45.989 -14.019 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -36.698 45.713 -13.199 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -34.484 49.055 -22.740 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -34.757 48.630 -23.553 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -34.444 49.986 -22.957 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -34.025 49.924 -18.765 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -33.175 50.345 -18.637 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -34.020 49.184 -18.157 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -33.631 47.977 -16.941 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -34.357 47.498 -16.543 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -33.050 48.183 -16.209 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -33.872 50.762 -11.993 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -33.038 50.384 -12.274 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -33.760 51.705 -12.112 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -33.363 47.878 -20.550 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -33.884 48.235 -21.269 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -33.396 48.553 -19.872 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -35.014 45.118 -21.999 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -34.917 45.785 -22.679 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -35.154 44.302 -22.481 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -35.844 46.498 -16.378 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -35.994 45.553 -16.398 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -36.198 46.779 -15.534 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -36.134 44.081 -17.916 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -35.854 43.174 -17.791 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -35.375 44.515 -18.305 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -35.522 44.662 -12.480 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -34.589 44.874 -12.514 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -35.757 44.764 -11.557 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -33.210 39.379 -4.350 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -32.860 38.725 -4.956 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -33.063 40.216 -4.790 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -35.520 41.344 -17.867 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -35.338 40.895 -17.042 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -36.120 40.759 -18.331 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -41.259 41.027 -13.859 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -41.934 40.398 -13.604 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -40.695 40.543 -14.462 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.390 40.273 -15.413 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -33.778 39.759 -15.940 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -34.007 41.151 -15.390 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -44.353 39.588 -16.224 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -43.479 39.976 -16.254 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -44.489 39.373 -15.301 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -38.796 39.618 -14.575 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -38.720 39.713 -15.524 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -39.072 38.710 -14.446 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -37.443 39.644 -18.882 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -38.146 40.258 -19.092 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -37.888 38.806 -18.751 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -43.209 41.668 -19.334 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -43.031 41.022 -18.651 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -43.263 42.502 -18.867 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -35.158 39.183 -1.321 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -36.057 39.322 -1.026 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -34.906 40.014 -1.723 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -36.117 39.134 5.109 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -35.513 39.682 4.608 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -36.986 39.454 4.869 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -34.390 40.273 3.443 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -33.778 39.759 2.916 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -34.007 41.151 3.466 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -22.065 10.360 -12.660 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -22.103 9.714 -11.955 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -22.388 9.894 -13.431 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -18.359 13.299 -14.358 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -18.800 12.579 -13.908 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -18.372 14.020 -13.728 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -21.248 18.404 -14.146 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -20.628 17.727 -14.419 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -21.456 18.186 -13.238 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -23.676 12.793 -12.254 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -23.372 12.107 -12.848 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -22.954 12.911 -11.636 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -20.535 7.187 -11.926 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -20.392 6.240 -11.906 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -20.641 7.394 -12.855 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -14.621 5.872 -9.157 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -15.310 6.530 -9.252 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -14.606 5.675 -8.220 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -19.595 16.920 -15.385 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -19.170 16.213 -15.870 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -19.278 17.721 -15.802 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -14.908 9.727 -10.333 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -15.560 10.422 -10.244 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -14.443 9.937 -11.143 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -20.550 15.461 -11.425 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -20.791 16.123 -10.777 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -20.748 14.627 -11.000 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -25.979 14.357 -7.442 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -26.291 15.139 -6.986 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -26.629 14.204 -8.128 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -27.740 16.429 -6.678 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -27.732 16.293 -7.626 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -28.656 16.311 -6.426 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -23.216 15.642 -7.946 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -23.129 16.468 -7.471 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -24.080 15.312 -7.697 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -17.043 7.561 -6.342 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -17.450 8.042 -7.062 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -17.002 6.656 -6.649 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -19.286 5.893 -8.121 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -19.800 5.767 -7.324 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -19.441 6.805 -8.366 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -22.549 8.193 -6.037 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -23.112 7.489 -5.717 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -21.723 8.073 -5.570 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -21.383 9.102 -10.040 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -21.059 8.471 -10.683 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -21.823 8.567 -9.379 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -22.595 12.602 -8.033 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -22.941 12.221 -7.227 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -22.795 13.536 -7.962 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -24.965 9.691 -5.973 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -25.261 9.525 -6.868 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -24.034 9.471 -5.983 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -19.158 10.903 -12.229 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -20.086 10.671 -12.256 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -18.707 10.126 -12.559 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -24.673 17.043 -10.205 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -24.310 17.898 -10.438 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -24.141 16.751 -9.464 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -21.129 13.142 -10.504 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -21.555 12.915 -9.678 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -20.548 12.404 -10.687 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -23.093 7.034 -8.621 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -22.974 7.608 -7.864 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -22.438 6.346 -8.506 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -16.889 4.941 -7.786 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -17.805 5.204 -7.874 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -16.553 4.938 -8.683 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -18.287 8.692 -13.690 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -19.084 8.277 -14.019 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -17.842 8.001 -13.199 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -17.200 17.948 -12.068 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -17.356 18.626 -12.725 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -16.268 18.020 -11.865 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -26.889 17.538 -4.220 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -26.121 17.079 -3.879 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -26.910 17.312 -5.150 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -24.924 12.399 -5.453 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -25.252 12.670 -6.311 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -24.772 11.458 -5.541 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -24.466 9.802 -9.277 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -23.715 9.646 -9.850 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -24.805 10.654 -9.553 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -20.050 7.617 -4.249 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -19.858 6.686 -4.360 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -19.193 8.042 -4.259 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -14.635 8.659 -6.055 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -15.498 8.280 -6.220 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -14.031 7.920 -6.129 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -16.666 6.950 -12.480 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -15.733 7.162 -12.514 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -16.901 7.052 -11.557 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -16.637 7.687 -9.704 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -17.480 7.955 -9.338 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -16.194 8.509 -9.915 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -17.746 18.688 -16.267 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -17.093 18.341 -16.875 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -17.235 19.177 -15.621 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -22.827 19.336 -11.212 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -23.284 19.865 -11.866 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -22.664 19.939 -10.487 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -20.500 18.214 -10.267 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -21.404 18.379 -10.533 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -20.071 19.067 -10.333 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -20.998 11.105 2.777 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -20.909 12.049 2.645 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -21.637 10.830 2.119 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -22.065 10.360 6.196 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -22.103 9.714 6.901 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -22.388 9.894 5.425 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -18.359 13.299 4.498 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -18.800 12.579 4.948 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -18.372 14.020 5.128 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -28.773 14.425 6.324 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -29.143 13.623 5.955 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -27.832 14.256 6.371 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -23.676 12.793 6.602 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -23.372 12.107 6.008 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -22.954 12.911 7.220 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -14.621 5.872 9.699 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -15.310 6.530 9.604 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -14.606 5.675 10.636 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -26.001 11.882 8.564 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -26.741 12.480 8.667 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -25.287 12.436 8.248 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -27.593 13.846 9.351 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -27.599 14.725 8.973 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -28.447 13.763 9.776 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -17.847 15.139 6.846 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -18.789 15.197 7.007 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -17.571 16.045 6.709 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -16.750 13.387 10.457 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -16.610 12.796 9.718 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -16.582 14.260 10.101 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -22.277 10.349 0.229 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -22.989 10.884 -0.122 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -21.586 10.405 -0.431 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -22.223 8.807 -2.732 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -21.522 8.829 -2.081 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -21.921 8.179 -3.388 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -14.908 9.727 8.523 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -15.560 10.422 8.612 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -14.443 9.937 7.713 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -18.871 10.559 1.181 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -19.603 10.787 1.754 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -18.424 9.845 1.636 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -18.974 8.733 10.249 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -18.894 9.496 10.821 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -19.575 9.012 9.558 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -25.859 14.617 5.745 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -25.954 14.039 4.988 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -25.130 14.246 6.241 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -25.979 14.357 11.414 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -26.291 15.139 11.870 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -26.629 14.204 10.728 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -20.000 9.721 -1.134 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -19.421 9.871 -0.387 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -19.586 10.192 -1.857 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -27.740 16.429 12.178 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -27.732 16.293 11.230 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -28.656 16.311 12.430 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -29.148 18.203 2.497 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -28.996 17.855 3.376 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -29.999 17.847 2.242 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -17.043 7.561 12.514 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -17.450 8.042 11.794 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -17.002 6.656 12.207 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -29.894 13.945 10.511 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -29.677 13.584 11.371 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -30.749 13.571 10.301 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -19.286 5.893 10.735 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -19.800 5.767 11.532 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -19.441 6.805 10.490 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -18.523 10.754 -3.504 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -18.481 10.531 -4.434 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -17.674 11.152 -3.314 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -21.651 8.018 1.331 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -22.060 8.833 1.039 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -20.931 7.878 0.716 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -22.549 8.193 12.819 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -23.112 7.489 13.139 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -21.723 8.073 13.286 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -21.383 9.102 8.816 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -21.059 8.471 8.173 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -21.823 8.567 9.477 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -16.965 11.551 8.372 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -16.323 12.008 7.829 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -17.795 11.664 7.910 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -19.499 7.099 -0.554 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -18.607 6.962 -0.235 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -19.442 7.890 -1.091 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -24.965 9.691 12.883 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -25.261 9.525 11.988 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -24.034 9.471 12.873 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -14.614 7.309 -0.860 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -15.168 6.913 -1.532 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -14.513 8.219 -1.137 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -19.158 10.903 6.627 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -20.086 10.671 6.600 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -18.707 10.126 6.297 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -26.615 15.231 2.760 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -26.088 16.004 2.559 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -27.495 15.456 2.458 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -25.188 12.894 2.336 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -25.429 13.819 2.378 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -25.928 12.435 2.732 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -30.697 16.732 8.663 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -30.480 15.800 8.632 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -30.450 17.006 9.547 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -25.898 14.753 -1.671 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -25.751 14.233 -0.881 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -25.901 15.660 -1.365 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -25.822 17.494 -0.940 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -25.661 18.294 -1.441 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -26.019 17.801 -0.055 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -16.889 4.941 11.070 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -17.805 5.204 10.982 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -16.553 4.938 10.173 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -18.287 8.692 5.166 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -19.084 8.277 4.837 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -17.842 8.001 5.657 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -28.829 14.620 -2.264 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -28.237 15.319 -1.988 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -28.370 14.187 -2.983 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -26.889 17.538 14.636 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -26.121 17.079 14.977 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -26.910 17.312 13.706 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -27.238 12.773 -3.898 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -27.174 11.979 -3.367 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -26.585 12.654 -4.587 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -24.924 12.399 13.403 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -25.252 12.670 12.545 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -24.772 11.458 13.315 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -19.189 12.315 10.786 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -18.444 12.903 10.666 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -19.946 12.897 10.849 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -26.089 10.745 -1.592 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -26.548 10.261 -0.906 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -25.834 10.077 -2.228 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -25.018 8.988 -3.329 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -25.198 8.834 -4.257 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -24.067 9.096 -3.285 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -21.780 11.109 14.042 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -20.827 11.193 14.014 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -21.940 10.398 14.661 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -24.466 9.802 9.579 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -23.715 9.646 9.006 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -24.805 10.654 9.303 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -20.050 7.617 14.607 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -19.858 6.686 14.496 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -19.193 8.042 14.597 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -25.120 19.679 -2.328 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -24.187 19.837 -2.184 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -25.384 20.354 -2.953 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -32.033 17.789 4.037 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -32.367 16.908 4.209 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -31.811 18.134 4.901 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -15.016 13.050 6.863 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -14.182 12.672 6.582 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -14.904 13.993 6.744 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -16.529 15.928 9.170 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -17.177 16.253 9.795 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -17.047 15.488 8.495 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -16.158 7.406 -3.143 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -16.061 8.073 -3.823 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -16.298 6.590 -3.625 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -16.988 8.786 2.478 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -17.138 7.841 2.458 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -17.342 9.067 3.322 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -17.278 6.369 0.940 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -16.998 5.462 1.065 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -16.519 6.803 0.551 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -16.637 7.687 9.152 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -17.480 7.955 9.518 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -16.194 8.509 8.941 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -14.834 3.776 12.855 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -15.751 4.047 12.819 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -14.711 3.241 12.071 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -30.361 15.617 13.132 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -31.182 15.792 12.672 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -30.613 15.544 14.053 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -27.407 16.592 9.391 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -27.832 17.401 9.108 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -26.502 16.677 9.089 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -30.005 19.848 9.438 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -30.725 20.288 8.987 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -30.371 19.597 10.287 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -30.590 18.471 6.349 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -30.609 18.046 7.206 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -29.785 18.153 5.940 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -28.449 17.181 5.004 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -28.668 16.265 5.173 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -27.625 17.321 5.470 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -16.548 17.219 12.747 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -17.330 17.033 12.227 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -16.620 18.148 12.964 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -19.595 16.920 22.327 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -19.170 16.213 21.842 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -19.278 17.721 21.910 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -18.436 14.821 20.836 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -18.693 14.131 20.224 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -18.365 14.378 21.681 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -22.223 8.807 16.124 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -21.522 8.829 16.775 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -21.921 8.179 15.468 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -18.871 10.559 20.037 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -19.603 10.787 20.610 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -18.424 9.845 20.492 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -20.000 9.721 17.722 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -19.421 9.871 18.469 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -19.586 10.192 16.999 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -22.802 19.414 19.572 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -22.877 19.293 18.626 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -22.769 20.364 19.691 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -19.700 18.568 16.575 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -19.325 17.824 16.104 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -19.696 18.298 17.493 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -20.031 18.494 19.324 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -20.966 18.594 19.503 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -19.751 17.785 19.902 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -19.499 7.099 18.302 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -18.607 6.962 18.621 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -19.442 7.890 17.765 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -21.989 13.877 17.467 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -22.284 14.703 17.849 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -22.692 13.257 17.663 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -14.614 7.309 17.996 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -15.168 6.913 17.324 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -14.513 8.219 17.719 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -16.318 16.095 18.461 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -16.691 15.269 18.771 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -16.041 15.912 17.564 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -18.926 14.071 16.282 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -18.573 13.691 17.086 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -19.875 13.978 16.368 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -18.060 12.744 18.508 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -18.337 12.016 19.064 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -17.133 12.863 18.714 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -24.835 15.183 14.729 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -24.596 14.435 14.181 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -25.104 14.795 15.561 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -25.898 14.753 17.185 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -25.751 14.233 17.975 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -25.901 15.660 17.491 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -23.160 16.451 17.934 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -23.977 16.948 17.987 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -22.631 16.926 17.294 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -25.822 17.494 17.916 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -25.661 18.294 17.415 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -26.019 17.801 18.801 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -18.193 16.863 15.101 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -17.910 16.069 15.554 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -17.453 17.096 14.540 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -27.238 12.773 14.958 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -27.174 11.979 15.489 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -26.585 12.654 14.269 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -21.886 13.820 14.694 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -22.154 14.000 15.595 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -22.092 12.894 14.563 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -25.120 19.679 16.528 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -24.187 19.837 16.672 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -25.384 20.354 15.903 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -14.775 10.265 20.771 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -15.501 9.786 21.169 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -14.194 10.471 21.503 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -16.158 7.406 15.713 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -16.061 8.073 15.033 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -16.298 6.590 15.231 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -16.988 8.786 21.334 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -17.138 7.841 21.314 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -17.342 9.067 22.178 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -16.910 4.814 14.830 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -16.300 4.442 15.467 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -17.747 4.392 15.026 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -17.278 6.369 19.796 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -16.998 5.462 19.921 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -16.519 6.803 19.407 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -14.798 3.699 16.373 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -14.385 2.978 15.897 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -14.116 4.369 16.431 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -17.746 18.688 21.445 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -17.093 18.341 20.837 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -17.235 19.177 22.091 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -22.475 18.905 16.773 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -21.609 19.271 16.595 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -22.722 18.465 15.960 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -29.521 18.615 15.401 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -29.789 18.902 16.274 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -28.750 18.069 15.553 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -28.773 33.281 -31.388 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -29.143 32.479 -31.757 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -27.832 33.112 -31.341 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -31.453 29.103 -33.869 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -31.239 28.333 -33.342 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -30.715 29.192 -34.472 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -21.248 37.260 -33.002 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -20.628 36.583 -33.275 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -21.456 37.042 -32.094 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -23.676 31.649 -31.110 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -23.372 30.963 -31.704 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -22.954 31.767 -30.492 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -30.760 26.541 -32.748 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -30.106 25.991 -32.316 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -30.736 26.267 -33.664 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -25.604 28.091 -33.532 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -24.988 27.565 -33.023 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -26.190 27.451 -33.936 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -28.570 23.062 -29.436 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -28.789 23.592 -30.202 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -29.238 23.289 -28.788 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -28.976 24.954 -31.483 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -28.363 25.587 -31.110 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.464 24.482 -32.140 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -27.226 30.045 -34.648 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -27.556 29.675 -35.467 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -26.638 29.375 -34.302 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -25.859 33.473 -31.967 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -25.954 32.895 -32.724 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -25.130 33.102 -31.471 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -26.859 28.814 -31.015 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -26.294 28.935 -31.778 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -26.540 29.451 -30.376 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -20.550 34.317 -30.281 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -20.791 34.979 -29.633 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -20.748 33.483 -29.856 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -23.216 34.498 -26.802 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -23.129 35.324 -26.327 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -24.080 34.168 -26.553 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -29.148 37.059 -35.215 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -28.996 36.711 -34.336 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -29.999 36.703 -35.470 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -27.184 26.237 -30.110 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -27.826 26.196 -29.401 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -27.147 27.163 -30.348 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.434 26.557 -28.243 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -29.472 26.957 -27.375 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -29.925 25.740 -28.153 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -16.913 38.792 -24.571 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -16.713 39.216 -25.406 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -16.257 39.135 -23.964 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -24.659 25.061 -29.811 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -25.494 25.515 -29.701 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -24.135 25.337 -29.059 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -22.595 31.458 -26.889 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -22.941 31.077 -26.083 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -22.795 32.392 -26.818 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -28.990 30.569 -32.357 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -28.245 30.567 -32.958 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -28.912 29.745 -31.875 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -24.965 28.547 -24.829 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -25.261 28.381 -25.724 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -24.034 28.327 -24.839 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -20.345 33.920 -26.939 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -21.246 34.103 -27.207 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -20.311 34.179 -26.018 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -26.615 34.087 -34.952 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -26.088 34.860 -35.153 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -27.495 34.312 -35.254 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -26.504 36.772 -35.831 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -27.454 36.877 -35.779 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -26.153 37.592 -35.486 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -18.470 36.550 -26.891 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -19.072 35.995 -27.386 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -18.189 37.217 -27.517 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -30.348 23.783 -27.484 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -31.241 24.122 -27.551 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -30.447 22.928 -27.066 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -30.775 34.862 -36.026 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -31.607 35.335 -35.999 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -30.229 35.372 -36.625 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -20.312 34.774 -24.347 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -20.663 33.918 -24.104 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -19.586 34.917 -23.740 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -24.924 31.255 -24.309 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -25.252 31.526 -25.167 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -24.772 30.314 -24.397 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -30.747 28.485 -24.322 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -30.339 27.628 -24.443 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -31.007 28.500 -23.401 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -26.800 27.494 -26.948 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -27.418 28.169 -26.667 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -26.456 27.815 -27.781 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -21.780 29.965 -23.670 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -20.827 30.049 -23.698 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -21.940 29.254 -23.051 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -26.460 24.849 -25.865 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -26.310 24.120 -26.468 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -26.458 25.626 -26.424 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -24.466 28.658 -28.133 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -23.715 28.502 -28.706 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -24.805 29.510 -28.409 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -27.982 26.047 -23.954 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -28.749 25.515 -24.164 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -27.303 25.737 -24.553 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -29.801 23.968 -24.249 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -29.590 23.261 -24.860 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -29.913 23.530 -23.405 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -32.903 38.564 -35.480 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -33.550 38.102 -36.013 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -32.548 37.892 -34.897 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -32.355 24.991 -25.083 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -31.436 24.869 -24.847 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -32.805 24.241 -24.694 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -32.830 26.302 -31.123 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -32.338 26.081 -31.913 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -32.468 27.143 -30.842 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -22.827 38.192 -30.068 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -23.284 38.721 -30.722 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -22.664 38.795 -29.343 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -20.500 37.070 -29.123 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -21.404 37.235 -29.389 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -20.071 37.923 -29.189 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -17.895 38.640 -28.828 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -18.077 39.556 -29.039 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -17.719 38.230 -29.675 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -25.912 36.507 -31.860 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -25.699 35.619 -32.147 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -25.847 36.473 -30.905 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -31.339 36.551 -38.192 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -32.024 36.513 -38.860 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -31.336 37.464 -37.904 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -16.548 36.075 -24.965 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -17.330 35.889 -25.485 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -16.620 37.004 -24.748 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -20.998 29.961 -16.079 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -20.909 30.905 -16.211 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -21.637 29.686 -16.737 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -22.065 29.216 -12.660 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -22.103 28.570 -11.955 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -22.388 28.750 -13.431 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -29.697 28.831 -11.067 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -29.655 28.205 -10.343 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -28.994 29.454 -10.885 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -18.359 32.155 -14.358 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -18.800 31.435 -13.908 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -18.372 32.876 -13.728 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -28.773 33.281 -12.532 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -29.143 32.479 -12.901 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -27.832 33.112 -12.485 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -20.535 26.043 -11.926 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -20.392 25.096 -11.906 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -20.641 26.250 -12.855 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -19.658 24.275 -16.253 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -19.012 23.946 -15.628 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -19.148 24.793 -16.876 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -25.604 28.091 -14.676 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -24.988 27.565 -14.167 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -26.190 27.451 -15.080 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -28.570 23.062 -10.580 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -28.789 23.592 -11.346 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -29.238 23.289 -9.932 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -21.201 32.562 -17.036 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -21.497 32.240 -17.887 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -21.525 33.462 -16.994 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -26.001 30.738 -10.292 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -26.741 31.336 -10.189 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -25.287 31.292 -10.608 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -17.894 23.566 -14.272 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -18.109 22.800 -13.740 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -17.238 24.038 -13.759 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -27.593 32.702 -9.505 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -27.599 33.581 -9.883 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -28.447 32.619 -9.080 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -31.472 32.373 -18.723 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -31.744 32.602 -19.612 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -31.427 33.211 -18.263 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -19.595 35.776 -15.385 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -19.170 35.069 -15.870 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -19.278 36.577 -15.802 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -18.436 33.677 -16.876 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -18.693 32.987 -17.488 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -18.365 33.234 -16.031 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -27.226 30.045 -15.792 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -27.556 29.675 -16.611 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -26.638 29.375 -15.446 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -26.859 28.814 -12.159 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -26.294 28.935 -12.922 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -26.540 29.451 -11.520 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -29.059 29.411 -8.213 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -28.989 30.062 -7.515 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -29.950 29.514 -8.548 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -22.274 35.314 -16.555 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -21.800 35.609 -15.777 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -22.837 36.052 -16.788 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -28.236 29.115 -18.203 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -28.528 29.883 -18.694 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -28.910 28.455 -18.366 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -32.143 31.478 -9.388 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -32.644 31.450 -10.203 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -32.137 30.572 -9.078 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -19.700 37.424 -21.137 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -19.325 36.680 -21.608 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -19.696 37.154 -20.219 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -29.894 32.801 -8.345 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -29.677 32.440 -7.485 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -30.749 32.427 -8.555 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -22.612 20.993 -8.975 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -22.192 20.578 -8.222 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -23.545 20.815 -8.858 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -27.184 26.237 -11.254 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -27.826 26.196 -10.545 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -27.147 27.163 -11.492 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -29.434 26.557 -9.387 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -29.472 26.957 -8.519 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -29.925 25.740 -9.297 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -21.383 27.958 -10.040 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -21.059 27.327 -10.683 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -21.823 27.423 -9.379 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -20.200 23.120 -11.992 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -20.877 23.251 -11.328 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -20.686 22.965 -12.802 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -27.450 26.709 -21.206 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -27.992 26.329 -21.897 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -26.616 26.903 -21.635 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -23.285 26.673 -13.369 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -22.721 26.126 -13.916 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -23.433 26.151 -12.580 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -24.659 25.061 -10.955 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -25.494 25.515 -10.845 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -24.135 25.337 -10.203 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -24.115 31.274 -19.270 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -24.859 30.767 -19.593 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -24.249 31.323 -18.324 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -16.965 30.407 -10.484 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -16.323 30.864 -11.027 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -17.795 30.520 -10.946 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -28.990 30.569 -13.501 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -28.245 30.567 -14.102 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -28.912 29.745 -13.019 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -21.989 32.733 -20.245 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -22.284 33.559 -19.863 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -22.692 32.113 -20.049 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -31.982 29.030 -8.186 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -31.759 28.612 -7.354 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -32.584 28.417 -8.608 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -16.318 34.951 -19.251 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -16.691 34.125 -18.941 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -16.041 34.768 -20.148 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -19.158 29.759 -12.229 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -20.086 29.527 -12.256 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -18.707 28.982 -12.559 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -26.615 34.087 -16.096 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -26.088 34.860 -16.297 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -27.495 34.312 -16.398 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -30.860 28.949 -21.509 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -30.244 29.576 -21.130 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -31.722 29.265 -21.238 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -25.188 31.750 -16.520 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -25.429 32.675 -16.478 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -25.928 31.291 -16.124 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -14.422 37.407 -21.229 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -13.679 37.993 -21.369 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -15.117 37.975 -20.896 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -30.348 23.783 -8.628 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -31.241 24.122 -8.695 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -30.447 22.928 -8.210 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -30.697 35.588 -10.193 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -30.480 34.656 -10.224 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -30.450 35.862 -9.309 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -29.445 30.862 -20.017 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -30.131 31.214 -19.450 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -28.922 31.625 -20.263 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -21.613 23.524 -9.738 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -20.915 23.598 -9.088 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -21.994 22.660 -9.583 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -23.160 35.307 -19.778 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -23.977 35.804 -19.725 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -22.631 35.782 -20.418 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -25.822 36.350 -19.796 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -25.661 37.150 -20.297 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -26.019 36.657 -18.911 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -18.287 27.548 -13.690 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -19.084 27.133 -14.019 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -17.842 26.857 -13.199 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -30.513 26.140 -22.004 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -30.558 27.079 -21.825 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -31.401 25.904 -22.274 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -30.775 34.862 -17.170 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -31.607 35.335 -17.143 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -30.229 35.372 -17.769 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -31.486 37.475 -5.840 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -30.946 37.258 -5.081 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -31.967 36.669 -6.030 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -22.797 35.902 -22.845 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -23.441 35.271 -22.523 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -22.035 35.371 -23.077 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -18.193 35.719 -22.611 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -17.910 34.925 -22.158 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -17.453 35.952 -23.172 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -21.886 32.676 -23.018 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -22.154 32.856 -22.117 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -22.092 31.750 -23.149 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -30.747 28.485 -5.466 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -30.339 27.628 -5.587 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -31.007 28.500 -4.545 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -26.089 29.601 -20.448 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -26.548 29.117 -19.762 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -25.834 28.933 -21.084 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -25.018 27.844 -22.185 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -25.198 27.690 -23.113 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -24.067 27.952 -22.141 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -26.048 23.219 -9.517 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -25.512 23.670 -10.169 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -26.900 23.111 -9.939 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -25.242 20.675 -9.085 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -25.340 21.622 -9.191 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -25.985 20.303 -9.561 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -29.801 23.968 -5.393 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -29.590 23.261 -6.004 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -29.913 23.530 -4.549 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -25.020 19.969 -6.414 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -24.308 19.329 -6.428 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -25.121 20.236 -7.328 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -24.667 21.652 -4.360 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -24.798 21.176 -5.181 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -25.266 22.396 -4.416 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -25.120 38.535 -21.184 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -24.187 38.693 -21.040 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -25.384 39.210 -21.809 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -32.903 38.564 -16.624 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -33.550 38.102 -17.157 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -32.548 37.892 -16.041 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -32.033 36.645 -14.819 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -32.367 35.764 -14.647 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -31.811 36.990 -13.955 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -16.666 25.806 -12.480 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -15.733 26.018 -12.514 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -16.901 25.908 -11.557 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -32.355 24.991 -6.227 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -31.436 24.869 -5.991 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -32.805 24.241 -5.838 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -17.746 37.544 -16.267 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -17.093 37.197 -16.875 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -17.235 38.033 -15.621 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -30.005 38.704 -9.418 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -30.725 39.144 -9.869 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -30.371 38.453 -8.569 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -30.590 37.327 -12.507 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -30.609 36.902 -11.650 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -29.785 37.009 -12.916 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -28.449 36.037 -13.852 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -28.668 35.121 -13.683 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -27.625 36.177 -13.386 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -22.403 22.171 -13.859 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -23.078 21.542 -13.604 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -21.839 21.687 -14.462 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -17.261 20.278 -13.747 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -16.657 20.826 -14.248 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -18.130 20.598 -13.987 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -15.534 21.417 -15.413 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -14.922 20.903 -15.940 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -15.151 22.295 -15.390 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -19.940 20.762 -14.575 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -19.864 20.857 -15.524 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -20.216 19.854 -14.446 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -31.339 36.551 -19.336 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -32.024 36.513 -20.004 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -31.336 37.464 -19.048 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -22.475 37.761 -20.939 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -21.609 38.127 -21.117 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -22.722 37.321 -21.752 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -15.766 37.324 -18.259 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -15.960 36.576 -18.824 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -15.805 38.082 -18.843 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -28.146 20.670 -4.984 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -27.247 20.396 -5.169 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -28.532 19.927 -4.520 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -21.248 37.260 4.710 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -20.628 36.583 4.437 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -21.456 37.042 5.618 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -14.195 34.924 12.034 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -14.244 33.969 11.997 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -15.021 35.192 12.436 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -26.068 23.931 -3.733 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -26.499 23.486 -3.003 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -26.786 24.303 -4.245 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -32.826 23.673 3.319 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -32.195 23.644 4.039 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -32.376 23.248 2.589 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -31.551 24.419 -1.257 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -31.077 25.010 -1.842 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -32.269 24.950 -0.910 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -16.913 38.792 13.141 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -16.713 39.216 12.306 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -16.257 39.135 13.748 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -14.650 31.965 11.977 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -15.502 32.203 11.610 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -14.060 31.948 11.224 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -26.504 36.772 1.881 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -27.454 36.877 1.933 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -26.153 37.592 2.226 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -18.470 36.550 10.821 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -19.072 35.995 10.326 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -18.189 37.217 10.195 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -30.348 23.783 10.228 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -31.241 24.122 10.161 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -30.447 22.928 10.646 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -30.697 35.588 8.663 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -30.480 34.656 8.632 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -30.450 35.862 9.547 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -29.705 20.922 5.525 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -29.934 20.981 4.598 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -30.148 20.130 5.832 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -31.486 37.475 13.016 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -30.946 37.258 13.775 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -31.967 36.669 12.826 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -26.889 36.394 14.636 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -26.121 35.935 14.977 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -26.910 36.168 13.706 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -20.312 34.774 13.365 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -20.663 33.918 13.608 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -19.586 34.917 13.972 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -31.579 31.285 13.970 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -31.435 30.383 13.684 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -32.352 31.571 13.482 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -24.667 21.652 14.496 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -24.798 21.176 13.675 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -25.266 22.396 14.440 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -32.903 38.564 2.232 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -33.550 38.102 1.699 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -32.548 37.892 2.815 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -14.921 37.021 9.939 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -15.408 36.286 9.568 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -14.372 36.628 10.617 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -16.470 32.811 14.577 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -17.336 32.706 14.971 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -16.094 33.570 15.024 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -32.355 24.991 12.629 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -31.436 24.869 12.865 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -32.805 24.241 13.018 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -31.134 23.303 5.520 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -30.689 22.511 5.822 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -30.668 24.019 5.951 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -32.517 22.560 0.644 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -33.442 22.769 0.514 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -32.063 23.044 -0.046 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -32.553 21.298 8.988 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -33.218 21.052 9.631 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -32.996 21.920 8.411 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -30.361 34.473 13.132 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -31.182 34.648 12.672 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -30.613 34.400 14.053 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -20.751 38.132 11.594 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -20.074 37.500 11.354 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -20.429 38.534 12.402 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -30.005 38.704 9.438 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -30.725 39.144 8.987 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -30.371 38.453 10.287 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -30.590 37.327 6.349 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -30.609 36.902 7.206 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -29.785 37.009 5.940 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -30.077 20.805 2.819 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -30.854 20.571 2.311 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -29.546 20.008 2.827 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -31.240 20.603 -1.378 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -30.801 21.214 -1.969 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -31.874 21.141 -0.904 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -29.379 22.519 -2.935 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -28.888 21.889 -3.463 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -28.756 22.815 -2.272 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -30.119 21.319 12.336 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -30.485 20.554 12.779 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -29.206 21.348 12.623 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -28.146 20.670 13.872 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -27.247 20.396 13.687 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -28.532 19.927 14.336 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -29.521 37.471 -3.455 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -29.789 37.758 -2.582 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -28.750 36.925 -3.303 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -19.724 20.002 14.054 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -19.648 19.576 14.908 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -18.831 20.016 13.712 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -16.548 36.075 12.747 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -17.330 35.889 12.227 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -16.620 37.004 12.964 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -22.065 29.216 25.052 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -22.103 28.570 25.757 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -22.388 28.750 24.281 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -18.359 32.155 23.354 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -18.800 31.435 23.804 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -18.372 32.876 23.984 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -32.163 26.941 20.573 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -32.611 27.787 20.555 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -32.724 26.361 20.058 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -31.453 29.103 22.699 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -31.239 28.333 23.226 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -30.715 29.192 22.096 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -23.676 31.649 25.458 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -23.372 30.963 24.864 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -22.954 31.767 26.076 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.013 23.250 26.319 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -14.964 23.860 27.055 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.587 23.711 25.596 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -20.535 26.043 25.786 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -20.392 25.096 25.806 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -20.641 26.250 24.857 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -27.380 24.144 23.058 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -27.337 25.004 22.640 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -27.838 23.592 22.425 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -25.604 28.091 23.036 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -24.988 27.565 23.545 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -26.190 27.451 22.632 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -21.201 32.562 20.676 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -21.497 32.240 19.825 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -21.525 33.462 20.718 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -31.472 32.373 18.989 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -31.744 32.602 18.100 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -31.427 33.211 19.449 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -17.847 33.995 25.702 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -18.789 34.053 25.863 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -17.571 34.901 25.565 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -17.547 22.281 27.119 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -18.283 22.892 27.081 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -16.863 22.696 26.593 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -19.595 35.776 22.327 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -19.170 35.069 21.842 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -19.278 36.577 21.910 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -18.436 33.677 20.836 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -18.693 32.987 20.224 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -18.365 33.234 21.681 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -22.277 29.205 19.085 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -22.989 29.740 18.734 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -21.586 29.261 18.425 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -14.908 28.583 27.379 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -15.560 29.278 27.468 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -14.443 28.793 26.569 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -18.974 27.589 29.105 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -18.894 28.352 29.677 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -19.575 27.868 28.414 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -27.226 30.045 21.920 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -27.556 29.675 21.101 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -26.638 29.375 22.266 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -20.550 34.317 26.287 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -20.791 34.979 26.935 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -20.748 33.483 26.712 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -15.112 34.693 15.912 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -15.039 35.632 16.082 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -14.207 34.388 15.855 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -19.700 37.424 16.575 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -19.325 36.680 16.104 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -19.696 37.154 17.493 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -27.187 26.458 21.370 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -28.080 26.117 21.311 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -26.736 26.081 20.614 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -31.551 24.419 17.599 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -31.077 25.010 17.014 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -32.269 24.950 17.946 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -21.383 27.958 27.672 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -21.059 27.327 27.029 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -21.823 27.423 28.333 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -24.605 23.885 22.456 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -25.516 23.942 22.745 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -24.100 23.825 23.267 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -29.777 25.514 21.283 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -30.666 25.614 20.943 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -29.481 24.672 20.937 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -20.200 23.120 25.720 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.877 23.251 26.384 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -20.686 22.965 24.910 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -23.285 26.673 24.343 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -22.721 26.126 23.796 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -23.433 26.151 25.132 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -28.283 22.809 20.761 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -28.600 21.907 20.726 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -27.502 22.811 20.209 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -24.115 31.274 18.442 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -24.859 30.767 18.119 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -24.249 31.323 19.388 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -16.965 30.407 27.228 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -16.323 30.864 26.685 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -17.795 30.520 26.766 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -21.989 32.733 17.467 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -22.284 33.559 17.849 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -22.692 32.113 17.663 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -16.318 34.951 18.461 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -16.691 34.125 18.771 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -16.041 34.768 17.564 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -25.188 31.750 21.192 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -25.429 32.675 21.234 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -25.928 31.291 21.588 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -21.129 31.998 27.208 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -21.555 31.771 28.034 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -20.548 31.260 27.025 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -18.926 32.927 16.282 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -18.573 32.547 17.086 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -19.875 32.834 16.368 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -25.898 33.609 17.185 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -25.751 33.089 17.975 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -25.901 34.516 17.491 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -29.445 30.862 17.695 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -30.131 31.214 18.262 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -28.922 31.625 17.449 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -21.613 23.524 27.974 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -20.915 23.598 28.624 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -21.994 22.660 28.129 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -20.829 23.176 19.071 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -20.609 23.648 18.268 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -20.271 23.571 19.742 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -23.160 35.307 17.934 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -23.977 35.804 17.987 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -22.631 35.782 17.294 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -23.629 24.904 19.906 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -22.817 25.408 19.952 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -23.874 24.759 20.820 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -22.745 21.985 20.844 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -23.092 22.603 21.489 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -22.087 22.486 20.363 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -25.822 36.350 17.916 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -25.661 37.150 17.415 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -26.019 36.657 18.801 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -28.829 33.476 16.592 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -28.237 34.175 16.868 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -28.370 33.043 15.873 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -22.797 35.902 14.867 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -23.441 35.271 15.189 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -22.035 35.371 14.635 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -18.193 35.719 15.101 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -17.910 34.925 15.554 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -17.453 35.952 14.540 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -25.120 38.535 16.528 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -24.187 38.693 16.672 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -25.384 39.210 15.903 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -31.552 33.171 16.011 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -30.638 33.250 16.284 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -31.545 32.484 15.344 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -15.016 31.906 25.719 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -14.182 31.528 25.438 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -14.904 32.849 25.600 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -16.666 25.806 25.232 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -15.733 26.018 25.198 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -16.901 25.908 26.155 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -16.637 26.543 28.008 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -17.480 26.811 28.374 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -16.194 27.365 27.797 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -32.517 22.560 19.500 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -33.442 22.769 19.370 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -32.063 23.044 18.810 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -22.403 22.171 23.853 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -23.078 21.542 24.108 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -21.839 21.687 23.250 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -17.261 20.278 23.965 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -16.657 20.826 23.464 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -18.130 20.598 23.725 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -15.534 21.417 22.299 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -14.922 20.903 21.772 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -15.151 22.295 22.322 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -31.240 20.603 17.478 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -30.801 21.214 16.887 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -31.874 21.141 17.952 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -25.497 20.732 21.488 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -24.623 21.120 21.458 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -25.633 20.517 22.411 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -19.940 20.762 23.137 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -19.864 20.857 22.188 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -20.216 19.854 23.266 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -24.353 22.812 18.378 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -24.175 22.166 19.061 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -24.407 23.646 18.845 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -22.475 37.761 16.773 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -21.609 38.127 16.595 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -22.722 37.321 15.960 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -29.521 37.471 15.401 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -29.789 37.758 16.274 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -28.750 36.925 15.553 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -22.065 48.072 -31.516 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -22.103 47.426 -30.811 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -22.388 47.606 -32.287 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -29.697 47.687 -29.923 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -29.655 47.061 -29.199 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -28.994 48.310 -29.741 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -28.773 52.137 -31.388 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -29.143 51.335 -31.757 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -27.832 51.968 -31.341 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -32.163 45.797 -35.995 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -32.611 46.643 -36.013 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -32.724 45.217 -36.510 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -23.676 50.505 -31.110 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -23.372 49.819 -31.704 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -22.954 50.623 -30.492 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -20.535 44.899 -30.782 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -20.392 43.952 -30.762 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -20.641 45.106 -31.711 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -27.380 43.000 -33.510 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -27.337 43.860 -33.928 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -27.838 42.448 -34.143 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -30.760 45.397 -32.748 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -30.106 44.847 -32.316 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -30.736 45.123 -33.664 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -25.604 46.947 -33.532 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -24.988 46.421 -33.023 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -26.190 46.307 -33.936 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -28.976 43.810 -31.483 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -28.363 44.443 -31.110 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -28.464 43.338 -32.140 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -27.593 51.558 -28.361 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -27.599 52.437 -28.739 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -28.447 51.475 -27.936 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -17.547 41.137 -29.449 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -18.283 41.748 -29.487 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -16.863 41.552 -29.975 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -24.544 39.224 -31.983 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -24.661 38.275 -32.037 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -25.399 39.556 -31.710 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -16.750 51.099 -27.255 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -16.610 50.508 -27.994 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -16.582 51.972 -27.611 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -18.974 46.445 -27.463 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -18.894 47.208 -26.891 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -19.575 46.724 -28.154 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -27.226 48.901 -34.648 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -27.556 48.531 -35.467 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -26.638 48.231 -34.302 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -25.859 52.329 -31.967 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -25.954 51.751 -32.724 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -25.130 51.958 -31.471 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -26.859 47.670 -31.015 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -26.294 47.791 -31.778 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -26.540 48.307 -30.376 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -20.550 53.173 -30.281 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -20.791 53.835 -29.633 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -20.748 52.339 -29.856 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -29.059 48.267 -27.069 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -28.989 48.918 -26.371 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -29.950 48.370 -27.404 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -27.740 54.141 -25.534 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -27.732 54.005 -26.482 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -28.656 54.023 -25.282 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -23.216 53.354 -26.802 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -23.129 54.180 -26.327 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -24.080 53.024 -26.553 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -17.043 45.273 -25.198 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -17.450 45.754 -25.918 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -17.002 44.368 -25.505 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -29.894 51.657 -27.201 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -29.677 51.296 -26.341 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -30.749 51.283 -27.411 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -19.286 43.605 -26.977 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -19.800 43.479 -26.180 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -19.441 44.517 -27.222 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -27.184 45.093 -30.110 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -27.826 45.052 -29.401 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -27.147 46.019 -30.348 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -27.187 45.314 -35.198 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -28.080 44.973 -35.257 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -26.736 44.937 -35.954 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -20.647 45.176 -33.567 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -20.842 45.781 -34.282 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -20.465 44.342 -34.002 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -29.434 45.413 -28.243 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -29.472 45.813 -27.375 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -29.925 44.596 -28.153 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -32.826 42.529 -34.393 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -32.195 42.500 -33.673 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -32.376 42.104 -35.123 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -24.605 42.741 -34.112 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -25.516 42.798 -33.823 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -24.100 42.681 -33.301 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -29.777 44.370 -35.285 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -30.666 44.470 -35.625 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -29.481 43.528 -35.631 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -20.200 41.976 -30.848 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -20.877 42.107 -30.184 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -20.686 41.821 -31.658 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -29.315 50.122 -24.963 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -28.582 50.376 -24.402 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -30.095 50.326 -24.448 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -23.285 45.529 -32.225 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -22.721 44.982 -32.772 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -23.433 45.007 -31.436 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -28.283 41.665 -35.807 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -28.600 40.763 -35.842 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -27.502 41.667 -36.359 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -16.965 49.263 -29.340 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -16.323 49.720 -29.883 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -17.795 49.376 -29.802 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -28.990 49.425 -32.357 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -28.245 49.423 -32.958 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -28.912 48.601 -31.875 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -31.982 47.886 -27.042 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -31.759 47.468 -26.210 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -32.584 47.273 -27.464 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -20.345 52.776 -26.939 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -21.246 52.959 -27.207 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -20.311 53.035 -26.018 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -19.158 48.615 -31.085 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -20.086 48.383 -31.112 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -18.707 47.838 -31.415 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -24.673 54.755 -29.061 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -24.310 55.610 -29.294 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -24.141 54.463 -28.320 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -21.129 50.854 -29.360 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -21.555 50.627 -28.534 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -20.548 50.116 -29.543 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -16.889 42.653 -26.642 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -17.805 42.916 -26.730 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -16.553 42.650 -27.539 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -18.287 46.404 -32.546 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -19.084 45.989 -32.875 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -17.842 45.713 -32.055 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.889 55.250 -23.076 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -26.121 54.791 -22.735 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.910 55.024 -24.006 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -20.312 53.630 -24.347 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -20.663 52.774 -24.104 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -19.586 53.773 -23.740 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -31.579 50.141 -23.742 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -31.435 49.239 -24.028 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -32.352 50.427 -24.230 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -19.189 50.027 -26.926 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -18.444 50.615 -27.046 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -19.946 50.609 -26.863 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -30.747 47.341 -24.322 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -30.339 46.484 -24.443 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -31.007 47.356 -23.401 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -19.628 41.614 -23.297 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -19.725 40.662 -23.303 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -19.950 41.883 -22.436 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -16.470 51.667 -23.135 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -17.336 51.562 -22.741 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -16.094 52.426 -22.688 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -16.132 48.468 -25.595 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -15.549 47.734 -25.404 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -15.568 49.240 -25.549 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -14.635 46.371 -24.911 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -15.498 45.992 -25.076 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -14.031 45.632 -24.985 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -16.637 45.399 -28.560 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -17.480 45.667 -28.194 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -16.194 46.221 -28.771 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -32.830 45.158 -31.123 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -32.338 44.937 -31.913 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -32.468 45.999 -30.842 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -32.517 41.416 -37.068 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -33.442 41.625 -37.198 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -32.063 41.900 -37.758 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -30.361 53.329 -24.580 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -31.182 53.504 -25.040 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -30.613 53.256 -23.659 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -27.407 54.304 -28.321 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -27.832 55.113 -28.604 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -26.502 54.389 -28.623 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -23.096 55.703 -25.362 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -22.911 55.369 -24.484 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -22.249 56.012 -25.684 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -15.833 39.578 -27.038 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -16.646 39.903 -27.426 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -15.600 38.818 -27.571 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -20.500 55.926 -29.123 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -21.404 56.091 -29.389 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -20.071 56.779 -29.189 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -22.403 41.027 -32.715 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -23.078 40.398 -32.460 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -21.839 40.543 -33.318 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -31.240 39.459 -39.090 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -30.801 40.070 -39.681 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -31.874 39.997 -38.616 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -25.497 39.588 -35.080 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -24.623 39.976 -35.110 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -25.633 39.373 -34.157 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -19.940 39.618 -33.431 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -19.864 39.713 -34.380 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -20.216 38.710 -33.302 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -19.724 38.858 -23.658 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -19.648 38.432 -22.804 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -18.831 38.872 -24.000 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -18.359 51.011 -14.358 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -18.800 50.291 -13.908 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -18.372 51.732 -13.728 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -32.163 45.797 -17.139 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -32.611 46.643 -17.157 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -32.724 45.217 -17.654 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -21.201 51.418 -17.036 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -21.497 51.096 -17.887 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -21.525 52.318 -16.994 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -27.593 51.558 -9.505 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -27.599 52.437 -9.883 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -28.447 51.475 -9.080 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -31.472 51.229 -18.723 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -31.744 51.458 -19.612 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -31.427 52.067 -18.263 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -17.847 52.851 -12.010 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -18.789 52.909 -11.849 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -17.571 53.757 -12.147 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -19.595 54.632 -15.385 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -19.170 53.925 -15.870 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -19.278 55.433 -15.802 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -18.436 52.533 -16.876 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -18.693 51.843 -17.488 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -18.365 52.090 -16.031 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -25.859 52.329 -13.111 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -25.954 51.751 -13.868 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -25.130 51.958 -12.615 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -20.550 53.173 -11.425 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -20.791 53.835 -10.777 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -20.748 52.339 -11.000 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -25.979 52.069 -7.442 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -26.291 52.851 -6.986 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -26.629 51.916 -8.128 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -29.059 48.267 -8.213 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -28.989 48.918 -7.515 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -29.950 48.370 -8.548 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -22.274 54.170 -16.555 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -21.800 54.465 -15.777 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -22.837 54.908 -16.788 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -16.302 39.183 -20.177 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -17.201 39.322 -19.882 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -16.050 40.014 -20.579 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -32.143 50.334 -9.388 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -32.644 50.306 -10.203 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -32.137 49.428 -9.078 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -32.392 53.114 -12.504 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -31.446 52.970 -12.523 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -32.505 53.898 -11.967 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.195 53.780 -6.822 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.244 52.825 -6.859 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -15.021 54.048 -6.420 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -23.216 53.354 -7.946 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -23.129 54.180 -7.471 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -24.080 53.024 -7.697 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -29.148 55.915 -16.359 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -28.996 55.567 -15.480 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -29.999 55.559 -16.614 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -29.894 51.657 -8.345 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -29.677 51.296 -7.485 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -30.749 51.283 -8.555 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -18.523 48.466 -22.360 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -18.481 48.243 -23.290 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -17.674 48.864 -22.170 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -29.434 45.413 -9.387 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -29.472 45.813 -8.519 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -29.925 44.596 -9.297 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -32.826 42.529 -15.537 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -32.195 42.500 -14.817 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -32.376 42.104 -16.267 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -29.315 50.122 -6.107 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -28.582 50.376 -5.546 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -30.095 50.326 -5.592 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -24.115 50.130 -19.270 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -24.859 49.623 -19.593 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -24.249 50.179 -18.324 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -21.989 51.589 -20.245 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -22.284 52.415 -19.863 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -22.692 50.969 -20.049 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -31.982 47.886 -8.186 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -31.759 47.468 -7.354 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -32.584 47.273 -8.608 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -20.345 52.776 -8.083 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -21.246 52.959 -8.351 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -20.311 53.035 -7.162 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -14.614 45.021 -19.716 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -15.168 44.625 -20.388 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -14.513 45.931 -19.993 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -14.650 50.821 -6.879 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -15.502 51.059 -7.246 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -14.060 50.804 -7.632 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -26.615 52.943 -16.096 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -26.088 53.716 -16.297 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -27.495 53.168 -16.398 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -30.860 47.805 -21.509 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -30.244 48.432 -21.130 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -31.722 48.121 -21.238 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -24.673 54.755 -10.205 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -24.310 55.610 -10.438 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -24.141 54.463 -9.464 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -26.504 55.628 -16.975 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -27.454 55.733 -16.923 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -26.153 56.448 -16.630 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -18.926 51.783 -21.430 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -18.573 51.403 -20.626 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -19.875 51.690 -21.344 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -18.470 55.406 -8.035 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -19.072 54.851 -8.530 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -18.189 56.073 -8.661 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -30.348 42.639 -8.628 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -31.241 42.978 -8.695 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -30.447 41.784 -8.210 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -18.060 50.456 -19.204 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -18.337 49.728 -18.648 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -17.133 50.575 -18.998 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -30.697 54.444 -10.193 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -30.480 53.512 -10.224 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -30.450 54.718 -9.309 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -24.835 52.895 -22.983 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -24.596 52.147 -23.531 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -25.104 52.507 -22.151 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -25.898 52.465 -20.527 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -25.751 51.945 -19.737 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -25.901 53.372 -20.221 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -29.445 49.718 -20.017 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -30.131 50.070 -19.450 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -28.922 50.481 -20.263 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -23.160 54.163 -19.778 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -23.977 54.660 -19.725 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -22.631 54.638 -20.418 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -28.829 52.332 -21.120 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -28.237 53.031 -20.844 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -28.370 51.899 -21.839 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -17.200 55.660 -12.068 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -17.356 56.338 -12.725 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -16.268 55.732 -11.865 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -30.775 53.718 -17.170 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -31.607 54.191 -17.143 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -30.229 54.228 -17.769 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -22.797 54.758 -22.845 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -23.441 54.127 -22.523 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -22.035 54.227 -23.077 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -20.312 53.630 -5.491 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -20.663 52.774 -5.248 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -19.586 53.773 -4.884 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -27.238 50.485 -22.754 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -27.174 49.691 -22.223 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -26.585 50.366 -23.443 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -24.924 50.111 -5.453 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -25.252 50.382 -6.311 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -24.772 49.170 -5.541 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -21.886 51.532 -23.018 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -22.154 51.712 -22.117 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -22.092 50.606 -23.149 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -30.747 47.341 -5.466 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -30.339 46.484 -5.587 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -31.007 47.356 -4.545 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -15.628 49.055 -22.740 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -15.901 48.630 -23.553 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -15.588 49.986 -22.957 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -29.801 42.824 -5.393 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -29.590 42.117 -6.004 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -29.913 42.386 -4.549 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -31.552 52.027 -21.701 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -30.638 52.106 -21.428 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -31.545 51.340 -22.368 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -32.033 55.501 -14.819 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -32.367 54.620 -14.647 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -31.811 55.846 -13.955 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -14.921 55.877 -8.917 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -15.408 55.142 -9.288 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -14.372 55.484 -8.239 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -16.470 51.667 -4.279 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -17.336 51.562 -3.885 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -16.094 52.426 -3.832 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -15.169 49.924 -18.765 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -14.319 50.345 -18.637 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -15.164 49.184 -18.157 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -14.775 47.977 -16.941 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -15.501 47.498 -16.543 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -14.194 48.183 -16.209 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -15.016 50.762 -11.993 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -14.182 50.384 -12.274 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -14.904 51.705 -12.112 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -16.529 53.640 -9.686 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -17.177 53.965 -9.061 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -17.047 53.200 -10.361 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -16.158 45.118 -21.999 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -16.061 45.785 -22.679 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -16.298 44.302 -22.481 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -16.988 46.498 -16.378 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -17.138 45.553 -16.398 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -17.342 46.779 -15.534 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -16.910 42.526 -22.882 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.300 42.154 -22.245 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -17.747 42.104 -22.686 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -17.278 44.081 -17.916 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -16.998 43.174 -17.791 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -16.519 44.515 -18.305 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -32.355 43.847 -6.227 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -31.436 43.725 -5.991 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -32.805 43.097 -5.838 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -16.664 41.344 -17.867 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -16.482 40.895 -17.042 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -17.264 40.759 -18.331 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -31.134 42.159 -13.336 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -30.689 41.367 -13.034 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -30.668 42.875 -12.905 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -32.830 45.158 -12.267 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -32.338 44.937 -13.057 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -32.468 45.999 -11.986 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -14.798 41.411 -21.339 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -14.385 40.690 -21.815 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -14.116 42.081 -21.281 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -32.553 40.154 -9.868 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -33.218 39.908 -9.225 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -32.996 40.776 -10.445 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -27.407 54.304 -9.465 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -27.832 55.113 -9.748 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -26.502 54.389 -9.767 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -20.500 55.926 -10.267 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -21.404 56.091 -10.533 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -20.071 56.779 -10.333 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -30.590 56.183 -12.507 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -30.609 55.758 -11.650 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -29.785 55.865 -12.916 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -28.449 54.893 -13.852 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -28.668 53.977 -13.683 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -27.625 55.033 -13.386 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -25.912 55.363 -13.004 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -25.699 54.475 -13.291 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -25.847 55.329 -12.049 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -17.261 39.134 -13.747 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -16.657 39.682 -14.248 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -18.130 39.454 -13.987 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -15.534 40.273 -15.413 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -14.922 39.759 -15.940 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -15.151 41.151 -15.390 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -30.119 40.175 -6.520 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -30.485 39.410 -6.077 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -29.206 40.204 -6.233 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -28.146 39.526 -4.984 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -27.247 39.252 -5.169 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -28.532 38.783 -4.520 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -16.548 54.931 -6.109 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -17.330 54.745 -6.629 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -16.620 55.860 -5.892 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -20.998 48.817 2.777 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -20.909 49.761 2.645 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -21.637 48.542 2.119 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -22.065 48.072 6.196 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -22.103 47.426 6.901 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -22.388 47.606 5.425 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -15.013 42.106 7.463 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -14.964 42.716 8.199 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -14.587 42.567 6.740 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -20.535 44.899 6.930 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -20.392 43.952 6.950 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -20.641 45.106 6.001 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -27.380 43.000 4.202 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -27.337 43.860 3.784 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -27.838 42.448 3.569 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -25.604 46.947 4.180 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -24.988 46.421 4.689 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -26.190 46.307 3.776 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -28.570 41.918 8.276 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -28.789 42.448 7.510 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -29.238 42.145 8.924 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -17.894 42.422 4.584 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -18.109 41.656 5.116 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -17.238 42.894 5.097 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -17.547 41.137 8.263 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -18.283 41.748 8.225 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -16.863 41.552 7.737 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -24.544 39.224 5.729 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -24.661 38.275 5.675 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -25.399 39.556 6.002 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -22.277 48.061 0.229 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -22.989 48.596 -0.122 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -21.586 48.117 -0.431 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -22.223 46.519 -2.732 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -21.522 46.541 -2.081 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -21.921 45.891 -3.388 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -18.871 48.271 1.181 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -19.603 48.499 1.754 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -18.424 47.557 1.636 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -20.000 47.433 -1.134 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -19.421 47.583 -0.387 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -19.586 47.904 -1.857 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -15.112 53.549 -2.944 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -15.039 54.488 -2.774 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -14.207 53.244 -3.001 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -27.275 40.127 6.507 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -28.136 40.040 6.099 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -27.297 40.983 6.934 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -22.612 39.849 9.881 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -22.192 39.434 10.634 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -23.545 39.671 9.998 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -27.187 45.314 2.514 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -28.080 44.973 2.455 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -26.736 44.937 1.758 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -20.647 45.176 4.145 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -20.842 45.781 3.430 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -20.465 44.342 3.710 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -24.605 42.741 3.600 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -25.516 42.798 3.889 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -24.100 42.681 4.411 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -26.124 44.370 0.083 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -25.192 44.499 0.261 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -26.339 45.040 -0.566 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -20.200 41.976 6.864 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -20.877 42.107 7.528 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -20.686 41.821 6.054 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -27.450 45.565 -2.350 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -27.992 45.185 -3.041 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -26.616 45.759 -2.779 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -23.285 45.529 5.487 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -22.721 44.982 4.940 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -23.433 45.007 6.276 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -28.283 41.665 1.905 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -28.600 40.763 1.870 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -27.502 41.667 1.353 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -24.115 50.130 -0.414 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -24.859 49.623 -0.737 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -24.249 50.179 0.532 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -21.989 51.589 -1.389 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -22.284 52.415 -1.007 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -22.692 50.969 -1.193 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -14.614 45.021 -0.860 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -15.168 44.625 -1.532 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -14.513 45.931 -1.137 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -18.926 51.783 -2.574 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -18.573 51.403 -1.770 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -19.875 51.690 -2.488 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -18.060 50.456 -0.348 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -18.337 49.728 0.208 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -17.133 50.575 -0.142 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -24.835 52.895 -4.127 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -24.596 52.147 -4.675 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -25.104 52.507 -3.295 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -21.613 42.380 9.118 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -20.915 42.454 9.768 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -21.994 41.516 9.273 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -27.088 41.904 -1.324 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -27.171 42.793 -0.978 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -26.198 41.639 -1.093 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -18.287 46.404 5.166 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -19.084 45.989 4.837 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -17.842 45.713 5.657 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -30.513 44.996 -3.148 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -30.558 45.935 -2.969 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -31.401 44.760 -3.418 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -29.705 39.778 5.525 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -29.934 39.837 4.598 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -30.148 38.986 5.832 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.193 54.575 -3.755 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -17.910 53.781 -3.302 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -17.453 54.808 -4.316 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -27.238 50.485 -3.898 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -27.174 49.691 -3.367 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -26.585 50.366 -4.587 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -21.886 51.532 -4.162 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -22.154 51.712 -3.261 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -22.092 50.606 -4.293 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -26.089 48.457 -1.592 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -26.548 47.973 -0.906 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -25.834 47.789 -2.228 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -25.018 46.700 -3.329 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -25.198 46.546 -4.257 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -24.067 46.808 -3.285 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -15.628 49.055 -3.884 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -15.901 48.630 -4.697 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -15.588 49.986 -4.101 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -26.048 42.075 9.339 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -25.512 42.526 8.687 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -26.900 41.967 8.917 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -25.242 39.531 9.771 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -25.340 40.478 9.665 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -25.985 39.159 9.295 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -25.020 38.825 12.442 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -24.308 38.185 12.428 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -25.121 39.092 11.528 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -24.667 40.508 14.496 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -24.798 40.032 13.675 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -25.266 41.252 14.440 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -15.169 49.924 0.091 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -14.319 50.345 0.219 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -15.164 49.184 0.699 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -14.775 47.977 1.915 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -15.501 47.498 2.313 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -14.194 48.183 2.647 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -14.507 47.878 -1.694 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -15.028 48.235 -2.413 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -14.540 48.553 -1.016 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -16.988 46.498 2.478 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -17.138 45.553 2.458 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -17.342 46.779 3.322 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -16.666 44.662 6.376 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -15.733 44.874 6.342 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -16.901 44.764 7.299 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -16.664 41.344 0.989 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -16.482 40.895 1.814 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -17.264 40.759 0.525 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -32.517 41.416 0.644 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -33.442 41.625 0.514 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -32.063 41.900 -0.046 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -15.833 39.578 10.674 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -16.646 39.903 10.286 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -15.600 38.818 10.141 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -22.403 41.027 4.997 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -23.078 40.398 5.252 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -21.839 40.543 4.394 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -30.077 39.661 2.819 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -30.854 39.427 2.311 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -29.546 38.864 2.827 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -31.240 39.459 -1.378 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -30.801 40.070 -1.969 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -31.874 39.997 -0.904 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -25.497 39.588 2.632 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -24.623 39.976 2.602 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -25.633 39.373 3.555 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -19.940 39.618 4.281 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -19.864 39.713 3.332 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -20.216 38.710 4.410 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -29.379 41.375 -2.935 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -28.888 40.745 -3.463 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -28.756 41.671 -2.272 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -30.119 40.175 12.336 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -30.485 39.410 12.779 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -29.206 40.204 12.623 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -28.146 39.526 13.872 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -27.247 39.252 13.687 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -28.532 38.783 14.336 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -19.724 38.858 14.054 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -19.648 38.432 14.908 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -18.831 38.872 13.712 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -2.142 -7.751 2.777 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -2.053 -6.807 2.645 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -2.781 -8.026 2.119 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -3.209 -8.496 6.196 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -3.247 -9.142 6.901 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -3.532 -8.962 5.425 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 0.497 -5.557 4.498 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 0.056 -6.277 4.948 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 0.484 -4.836 5.128 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -4.820 -6.063 6.602 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -4.516 -6.749 6.008 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -4.098 -5.945 7.220 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -2.345 -5.150 1.820 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -2.641 -5.472 0.969 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -2.669 -4.250 1.862 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 0.420 -4.035 1.980 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 0.163 -4.725 1.368 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 0.491 -4.478 2.825 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 2.106 -5.469 10.457 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 2.246 -6.060 9.718 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 2.274 -4.596 10.101 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 3.948 -9.129 8.523 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 3.296 -8.434 8.612 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 4.413 -8.919 7.713 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -7.003 -4.239 5.745 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -7.098 -4.817 4.988 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -6.274 -4.610 6.241 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -3.418 -2.398 2.301 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -2.944 -2.103 3.079 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -3.981 -1.660 2.068 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 3.744 -3.019 -2.944 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 3.817 -2.080 -2.774 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 4.649 -3.324 -3.001 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -4.360 -3.214 10.910 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -4.273 -2.388 11.385 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -5.224 -3.544 11.159 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -3.946 0.558 0.716 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -4.021 0.437 -0.230 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -3.913 1.508 0.835 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -0.844 -0.288 -2.281 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -0.469 -1.032 -2.752 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -0.840 -0.558 -1.363 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -1.175 -0.362 0.468 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -2.110 -0.262 0.647 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -0.895 -1.071 1.046 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 1.943 1.080 13.141 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 2.143 1.504 12.306 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 2.599 1.423 13.748 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 1.891 -7.305 8.372 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 2.533 -6.848 7.829 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 1.061 -7.192 7.910 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -3.739 -6.254 10.823 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -4.085 -6.635 11.629 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -3.939 -5.320 10.894 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -1.489 -3.792 10.773 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -2.390 -3.609 10.505 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -1.455 -3.533 11.694 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 2.538 -2.761 -0.395 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 2.165 -3.587 -0.085 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 2.815 -2.944 -1.292 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -0.302 -7.953 6.627 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -1.230 -8.185 6.600 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 0.149 -8.730 6.297 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -7.759 -3.625 2.760 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -7.232 -2.852 2.559 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -8.639 -3.400 2.458 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -6.332 -5.962 2.336 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -6.573 -5.037 2.378 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -7.072 -6.421 2.732 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -5.817 -1.813 8.651 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -5.454 -0.958 8.418 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -5.285 -2.105 9.392 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -7.648 -0.940 1.881 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -8.598 -0.835 1.933 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -7.297 -0.120 2.226 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -2.273 -5.714 8.352 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -2.699 -5.941 9.178 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -1.692 -6.452 8.169 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 4.434 -0.305 -2.373 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 5.177 0.281 -2.513 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 3.739 0.263 -2.040 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 0.796 -6.112 -0.348 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 0.519 -6.840 0.208 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 1.723 -5.993 -0.142 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -4.304 -2.405 -0.922 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -5.121 -1.908 -0.869 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -3.775 -1.930 -1.562 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -1.456 -2.938 13.365 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -1.807 -3.794 13.608 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -0.730 -2.795 13.972 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -0.333 -6.541 10.786 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 0.412 -5.953 10.666 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -1.090 -5.959 10.849 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 2.386 -4.901 14.577 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 1.520 -5.006 14.971 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 2.762 -4.142 15.024 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 3.687 -6.644 0.091 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 4.537 -6.223 0.219 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 3.692 -7.384 0.699 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 4.081 -8.591 1.915 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 3.355 -9.070 2.313 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 4.662 -8.385 2.647 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 3.840 -5.806 6.863 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 4.674 -6.184 6.582 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 3.952 -4.863 6.744 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 2.724 -8.100 12.117 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 3.307 -8.834 12.308 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 3.288 -7.328 12.163 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 4.221 -10.197 12.801 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 3.358 -10.576 12.636 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 4.825 -10.936 12.727 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 2.219 -11.169 9.152 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 1.376 -10.901 9.518 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 2.662 -10.347 8.941 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 1.110 -0.168 2.589 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 1.763 -0.515 1.981 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 1.621 0.321 3.235 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -8.551 -2.264 9.391 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -8.976 -1.455 9.108 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -7.646 -2.179 9.089 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -4.240 -0.865 12.350 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -4.055 -1.199 13.228 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -3.393 -0.556 12.028 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -1.895 0.420 11.594 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -1.218 -0.212 11.354 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -1.573 0.822 12.402 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -11.149 0.992 9.438 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -11.869 1.432 8.987 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -11.515 0.741 10.287 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -8.682 0.592 8.468 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -9.547 0.664 8.872 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -8.737 1.139 7.684 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -11.734 -0.385 6.349 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -11.753 -0.810 7.206 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -10.929 -0.703 5.940 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -9.593 -1.675 5.004 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -9.812 -2.591 5.173 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -8.769 -1.535 5.470 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -7.056 -1.205 5.852 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -6.843 -2.093 5.565 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -6.991 -1.239 6.807 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -3.619 0.049 -2.083 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -2.753 0.415 -2.261 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -3.866 -0.391 -2.896 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 3.090 -0.388 0.597 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 2.896 -1.136 0.032 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 3.051 0.370 0.013 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 2.308 -1.637 12.747 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 1.526 -1.823 12.227 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 2.236 -0.708 12.964 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 3.744 -3.019 15.912 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 3.817 -2.080 16.082 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 4.649 -3.324 15.855 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 4.434 -0.305 16.483 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 5.177 0.281 16.343 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 3.739 0.263 16.816 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -3.941 -1.810 14.867 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -4.585 -2.441 15.189 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -3.179 -2.341 14.635 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 0.663 -1.993 15.101 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 0.946 -2.787 15.554 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 1.403 -1.760 14.540 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 3.228 -7.513 14.972 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 2.955 -7.938 14.159 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 3.268 -6.582 14.755 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -6.264 0.823 16.528 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -5.331 0.981 16.672 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -6.528 1.498 15.903 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -3.619 0.049 16.773 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -2.753 0.415 16.595 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -3.866 -0.391 15.960 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -10.665 -0.241 15.401 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -10.933 0.046 16.274 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -9.894 -0.787 15.553 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -10.841 9.975 -11.067 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -10.799 9.349 -10.343 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -10.138 10.598 -10.885 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -7.123 14.357 -7.442 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -7.435 15.139 -6.986 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -7.773 14.204 -8.128 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -10.203 10.555 -8.213 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -10.133 11.206 -7.515 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -11.094 10.658 -8.548 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -8.884 16.429 -6.678 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -8.876 16.293 -7.626 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -9.800 16.311 -6.426 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -13.536 15.402 -12.504 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -12.590 15.258 -12.523 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -13.649 16.186 -11.967 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -4.360 15.642 -7.946 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -4.273 16.468 -7.471 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -5.224 15.312 -7.697 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -11.038 13.945 -8.345 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -10.821 13.584 -7.485 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -11.893 13.571 -8.555 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 1.943 19.936 -5.715 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 2.143 20.360 -6.550 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 2.599 20.279 -5.108 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -10.459 12.410 -6.107 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -9.726 12.664 -5.546 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -11.239 12.614 -5.592 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -13.126 10.174 -8.186 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -12.903 9.756 -7.354 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -13.728 9.561 -8.608 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -5.817 17.043 -10.205 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -5.454 17.898 -10.438 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -5.285 16.751 -9.464 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 0.386 17.694 -8.035 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -0.216 17.139 -8.530 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 0.667 18.361 -8.661 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -11.841 16.732 -10.193 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -11.624 15.800 -10.224 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -11.594 17.006 -9.309 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -1.456 15.918 -5.491 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -1.807 15.062 -5.248 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -0.730 16.061 -4.884 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -12.723 12.429 -4.886 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -12.579 11.527 -5.172 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -13.496 12.715 -5.374 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -6.068 12.399 -5.453 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -6.396 12.670 -6.311 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -5.916 11.458 -5.541 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -11.891 9.629 -5.466 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -11.483 8.772 -5.587 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -12.151 9.644 -4.545 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -14.047 19.708 -16.624 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -14.694 19.246 -17.157 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -13.692 19.036 -16.041 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -13.177 17.789 -14.819 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -13.511 16.908 -14.647 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -12.955 18.134 -13.955 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -13.097 10.864 -12.368 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -12.913 10.782 -13.303 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -12.248 10.740 -11.944 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -13.499 6.135 -6.227 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -12.580 6.013 -5.991 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -13.949 5.385 -5.838 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -13.974 7.446 -12.267 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -13.482 7.225 -13.057 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -13.612 8.287 -11.986 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -11.505 15.617 -5.724 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -12.326 15.792 -6.184 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -11.757 15.544 -4.803 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -8.551 16.592 -9.465 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -8.976 17.401 -9.748 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -7.646 16.677 -9.767 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -4.240 17.991 -6.506 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -4.055 17.657 -5.628 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -3.393 18.300 -6.828 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -1.895 19.276 -7.262 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -1.218 18.644 -7.502 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -1.573 19.678 -6.454 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -8.682 19.448 -10.388 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -9.547 19.520 -9.984 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -8.737 19.995 -11.172 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -3.971 19.336 -11.212 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -4.428 19.865 -11.866 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -3.808 19.939 -10.487 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -1.644 18.214 -10.267 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -2.548 18.379 -10.533 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -1.215 19.067 -10.333 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 0.961 19.784 -9.972 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 0.779 20.700 -10.183 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 1.137 19.374 -10.819 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -11.734 18.471 -12.507 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -11.753 18.046 -11.650 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -10.929 18.153 -12.916 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -9.593 17.181 -13.852 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -9.812 16.265 -13.683 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -8.769 17.321 -13.386 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 2.308 17.219 -6.109 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 1.526 17.033 -6.629 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 2.236 18.148 -5.892 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -2.142 11.105 2.777 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -2.053 12.049 2.645 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -2.781 10.830 2.119 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -10.841 9.975 7.789 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -10.799 9.349 8.513 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -10.138 10.598 7.971 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 0.497 13.299 4.498 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 0.056 12.579 4.948 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 0.484 14.020 5.128 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -13.307 8.085 1.717 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -13.755 8.931 1.699 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -13.868 7.505 1.202 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -12.597 10.247 3.843 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -12.383 9.477 4.370 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -11.859 10.336 3.240 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -2.392 18.404 4.710 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -1.772 17.727 4.437 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -2.600 18.186 5.618 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -4.820 12.793 6.602 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -4.516 12.107 6.008 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -4.098 12.911 7.220 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -11.904 7.685 4.964 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -11.250 7.135 5.396 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -11.880 7.411 4.048 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -6.748 9.235 4.180 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -6.132 8.709 4.689 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -7.334 8.595 3.776 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -2.345 13.706 1.820 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -2.641 13.384 0.969 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -2.669 14.606 1.862 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 1.009 15.139 6.846 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 0.067 15.197 7.007 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 1.285 16.045 6.709 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -0.739 16.920 3.471 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -0.314 16.213 2.986 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -0.422 17.721 3.054 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 0.420 14.821 1.980 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 0.163 14.131 1.368 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 0.491 14.378 2.825 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 2.106 13.387 10.457 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 2.246 12.796 9.718 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 2.274 14.260 10.101 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -3.421 10.349 0.229 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -4.133 10.884 -0.122 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -2.730 10.405 -0.431 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -0.015 10.559 1.181 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -0.747 10.787 1.754 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 0.432 9.845 1.636 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -8.370 11.189 3.064 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -8.700 10.819 2.245 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -7.782 10.519 3.410 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -7.003 14.617 5.745 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -7.098 14.039 4.988 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -6.274 14.246 6.241 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -1.694 15.461 7.431 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -1.935 16.123 8.079 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -1.892 14.627 7.856 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -3.418 16.458 2.301 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -2.944 16.753 3.079 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -3.981 17.196 2.068 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 2.554 1.471 -1.321 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 1.655 1.610 -1.026 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 2.806 2.302 -1.723 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -9.380 10.259 0.653 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -9.672 11.027 0.162 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -10.054 9.599 0.490 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -13.287 12.622 9.468 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -13.788 12.594 8.653 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -13.281 11.716 9.778 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -4.360 15.642 10.910 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -4.273 16.468 11.385 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -5.224 15.312 11.159 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -0.844 18.568 -2.281 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -0.469 17.824 -2.752 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -0.840 18.298 -1.363 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -1.175 18.494 0.468 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -2.110 18.594 0.647 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -0.895 17.785 1.046 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -8.331 7.602 2.514 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -9.224 7.261 2.455 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -7.880 7.225 1.758 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -2.795 8.018 1.331 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -3.204 8.833 1.039 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -2.075 7.878 0.716 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -10.578 7.701 9.469 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -10.616 8.101 10.337 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -11.069 6.884 9.559 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -10.921 6.658 2.427 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -11.810 6.758 2.087 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -10.625 5.816 2.081 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -7.268 6.658 0.083 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -6.336 6.787 0.261 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -7.483 7.328 -0.566 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -9.427 3.953 1.905 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -9.744 3.051 1.870 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -8.646 3.955 1.353 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -5.259 12.418 -0.414 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -6.003 11.911 -0.737 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -5.393 12.467 0.532 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -1.361 5.232 -2.215 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -2.299 5.344 -2.366 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -1.064 6.089 -1.909 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -0.643 7.099 -0.554 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 0.249 6.962 -0.235 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -0.586 7.890 -1.091 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -10.134 11.713 5.355 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -9.389 11.711 4.754 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -10.056 10.889 5.837 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -3.133 13.877 -1.389 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -3.428 14.703 -1.007 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -3.836 13.257 -1.193 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -13.126 10.174 10.670 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -12.903 9.756 11.502 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -13.728 9.561 10.248 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -1.489 15.064 10.773 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -2.390 15.247 10.505 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -1.455 15.323 11.694 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 4.206 13.109 11.977 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 3.354 13.347 11.610 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 4.796 13.092 11.224 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 2.538 16.095 -0.395 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 2.165 15.269 -0.085 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 2.815 15.912 -1.292 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -12.004 10.093 -2.653 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -11.388 10.720 -2.274 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -12.866 10.409 -2.382 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -6.332 12.894 2.336 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -6.573 13.819 2.378 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -7.072 12.435 2.732 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -5.817 17.043 8.651 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -5.454 17.898 8.418 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -5.285 16.751 9.392 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -2.273 13.142 8.352 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -2.699 12.915 9.178 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -1.692 12.404 8.169 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 0.386 17.694 10.821 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -0.216 17.139 10.326 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 0.667 18.361 10.195 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 4.434 18.551 -2.373 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 5.177 19.137 -2.513 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 3.739 19.119 -2.040 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -11.492 4.927 10.228 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -12.385 5.266 10.161 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -11.591 4.072 10.646 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -5.979 15.183 -4.127 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -5.740 14.435 -4.675 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -6.248 14.795 -3.295 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -10.589 12.006 -1.161 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -11.275 12.358 -0.594 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -10.066 12.769 -1.407 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -1.973 4.320 0.215 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -1.753 4.792 -0.588 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -1.415 4.715 0.886 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -4.773 6.048 1.050 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -3.961 6.552 1.096 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -5.018 5.903 1.964 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -8.232 4.192 -1.324 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -8.315 5.081 -0.978 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -7.342 3.927 -1.093 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -11.657 7.284 -3.148 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -11.702 8.223 -2.969 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -12.545 7.048 -3.418 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 1.656 17.948 6.788 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 1.500 18.626 6.131 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 2.588 18.020 6.991 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -10.849 2.066 5.525 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -11.078 2.125 4.598 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -11.292 1.274 5.832 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -1.456 15.918 13.365 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -1.807 15.062 13.608 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -0.730 16.061 13.972 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 0.663 16.863 -3.755 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 0.946 16.069 -3.302 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 1.403 17.096 -4.316 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -8.382 12.773 -3.898 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -8.318 11.979 -3.367 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -7.729 12.654 -4.587 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -3.030 13.820 -4.162 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -3.298 14.000 -3.261 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -3.236 12.894 -4.293 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -7.233 10.745 -1.592 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -7.692 10.261 -0.906 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -6.978 10.077 -2.228 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -0.772 3.902 14.415 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -0.869 2.950 14.409 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -1.094 4.171 15.276 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -10.945 5.112 13.463 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -10.734 4.405 12.852 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -11.057 4.674 14.307 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -6.164 1.113 12.442 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -5.452 0.473 12.428 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -6.265 1.380 11.528 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -5.811 2.796 14.496 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -5.942 2.320 13.675 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -6.410 3.540 14.440 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 2.386 13.955 14.577 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 1.520 13.850 14.971 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 2.762 14.714 15.024 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 4.081 10.265 1.915 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 3.355 9.786 2.313 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 4.662 10.471 2.647 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 3.840 13.050 6.863 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 4.674 12.672 6.582 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 3.952 13.993 6.744 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 2.327 15.928 9.170 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 1.679 16.253 9.795 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 1.809 15.488 8.495 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 1.868 8.786 2.478 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 1.718 7.841 2.458 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 1.514 9.067 3.322 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -13.097 10.864 6.488 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -12.913 10.782 5.553 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -12.248 10.740 6.912 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 2.724 10.756 12.117 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 3.307 10.022 12.308 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 3.288 11.528 12.163 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 1.578 6.369 0.940 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 1.858 5.462 1.065 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 2.337 6.803 0.551 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -13.499 6.135 12.629 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -12.580 6.013 12.865 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -13.949 5.385 13.018 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 4.502 1.667 14.506 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 4.852 1.013 13.900 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 4.649 2.504 14.066 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 2.192 3.632 0.989 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 2.374 3.183 1.814 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 1.592 3.047 0.525 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -12.278 4.447 5.520 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -11.833 3.655 5.822 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -11.812 5.163 5.951 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -13.974 7.446 6.589 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -13.482 7.225 5.799 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -13.612 8.287 6.870 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 1.110 18.688 2.589 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 1.763 18.341 1.981 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 1.621 19.177 3.235 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -13.697 2.442 8.988 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -14.362 2.196 9.631 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -14.140 3.064 8.411 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -8.551 16.592 9.391 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -8.976 17.401 9.108 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -7.646 16.677 9.089 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -4.240 17.991 12.350 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -4.055 17.657 13.228 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -3.393 18.300 12.028 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -1.895 19.276 11.594 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -1.218 18.644 11.354 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -1.573 19.678 12.402 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -3.971 19.336 7.644 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -4.428 19.865 6.990 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -3.808 19.939 8.369 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -1.644 18.214 8.589 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -2.548 18.379 8.323 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -1.215 19.067 8.523 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 0.961 19.784 8.884 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 0.779 20.700 8.673 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 1.137 19.374 8.037 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -11.221 1.949 2.819 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -11.998 1.715 2.311 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -10.690 1.152 2.827 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -6.641 1.876 2.632 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -5.767 2.264 2.602 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -6.777 1.661 3.555 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 0.269 1.932 -0.026 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -0.434 2.546 -0.236 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -0.176 1.094 0.105 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -5.497 3.956 -0.478 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -5.319 3.310 0.205 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -5.551 4.790 -0.011 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 3.090 18.468 0.597 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 2.896 17.720 0.032 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 3.051 19.226 0.013 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -11.263 2.463 12.336 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -11.629 1.698 12.779 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -10.350 2.492 12.623 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -9.290 1.814 13.872 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -8.391 1.540 13.687 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -9.676 1.071 14.336 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -0.868 1.146 14.054 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -0.792 0.720 14.908 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 0.025 1.160 13.712 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 2.308 17.219 12.747 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 1.526 17.033 12.227 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 2.236 18.148 12.964 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -13.307 8.085 20.573 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -13.755 8.931 20.555 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -13.868 7.505 20.058 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -12.597 10.247 22.699 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -12.383 9.477 23.226 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -11.859 10.336 22.096 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -8.524 5.288 23.058 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -8.481 6.148 22.640 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -8.982 4.736 22.425 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -11.904 7.685 23.820 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.250 7.135 24.252 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -11.880 7.411 22.904 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -6.748 9.235 23.036 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -6.132 8.709 23.545 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -7.334 8.595 22.632 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -2.345 13.706 20.676 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -2.641 13.384 19.825 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -2.669 14.606 20.718 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -3.421 10.349 19.085 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -4.133 10.884 18.734 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -2.730 10.405 18.425 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -0.015 10.559 20.037 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -0.747 10.787 20.610 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 0.432 9.845 20.492 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -8.370 11.189 21.920 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -8.700 10.819 21.101 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -7.782 10.519 22.266 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -1.144 9.721 17.722 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -0.565 9.871 18.469 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -0.730 10.192 16.999 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -10.292 18.203 21.353 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -10.140 17.855 22.232 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -11.143 17.847 21.098 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -0.844 18.568 16.575 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -0.469 17.824 16.104 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -0.840 18.298 17.493 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -4.094 4.630 16.022 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -4.348 4.649 16.945 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -4.351 3.758 15.721 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -8.331 7.602 21.370 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -9.224 7.261 21.311 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -7.880 7.225 20.614 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -2.795 8.018 20.187 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -3.204 8.833 19.895 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -2.075 7.878 19.572 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -13.970 4.817 22.175 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -13.339 4.788 22.895 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -13.520 4.392 21.445 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -12.695 5.563 17.599 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -12.221 6.154 17.014 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -13.413 6.094 17.946 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -5.749 5.029 22.456 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -6.660 5.086 22.745 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -5.244 4.969 23.267 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -10.921 6.658 21.283 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -11.810 6.758 20.943 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -10.625 5.816 20.937 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -9.427 3.953 20.761 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -9.744 3.051 20.726 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -8.646 3.955 20.209 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -5.259 12.418 18.442 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -6.003 11.911 18.119 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -5.393 12.467 19.388 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -1.361 5.232 16.641 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -2.299 5.344 16.490 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -1.064 6.089 16.947 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -0.643 7.099 18.302 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 0.249 6.962 18.621 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -0.586 7.890 17.765 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -10.134 11.713 24.211 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -9.389 11.711 23.610 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -10.056 10.889 24.693 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -3.133 13.877 17.467 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -3.428 14.703 17.849 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -3.836 13.257 17.663 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 4.242 7.309 17.996 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 3.688 6.913 17.324 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 4.343 8.219 17.719 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -7.759 15.231 21.616 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -7.232 16.004 21.415 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -8.639 15.456 21.314 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -6.332 12.894 21.192 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -6.573 13.819 21.234 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -7.072 12.435 21.588 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -7.648 17.916 20.737 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -8.598 18.021 20.789 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -7.297 18.736 21.082 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -0.070 14.071 16.282 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 0.283 13.691 17.086 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -1.019 13.978 16.368 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 0.796 12.744 18.508 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 0.519 12.016 19.064 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 1.723 12.863 18.714 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -7.042 14.753 17.185 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -6.895 14.233 17.975 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -7.045 15.660 17.491 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -1.973 4.320 19.071 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -1.753 4.792 18.268 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -1.415 4.715 19.742 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -4.304 16.451 17.934 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -5.121 16.948 17.987 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -3.775 16.926 17.294 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -4.773 6.048 19.906 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -3.961 6.552 19.952 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -5.018 5.903 20.820 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -3.889 3.129 20.844 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -4.236 3.747 21.489 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -3.231 3.630 20.363 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -6.966 17.494 17.916 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -6.805 18.294 17.415 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -7.163 17.801 18.801 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -3.941 17.046 14.867 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -4.585 16.415 15.189 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -3.179 16.515 14.635 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 0.663 16.863 15.101 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 0.946 16.069 15.554 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 1.403 17.096 14.540 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 3.228 11.343 14.972 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 2.955 10.918 14.159 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 3.268 12.274 14.755 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -6.264 19.679 16.528 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -5.331 19.837 16.672 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -6.528 20.354 15.903 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -13.177 17.789 22.893 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -13.511 16.908 23.065 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -12.955 18.134 23.757 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 4.349 10.166 17.162 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 3.828 10.523 16.443 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 4.316 10.841 17.840 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 2.698 7.406 15.713 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 2.795 8.073 15.033 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 2.558 6.590 15.231 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 1.946 4.814 14.830 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 2.556 4.442 15.467 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 1.109 4.392 15.026 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 4.058 3.699 16.373 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 4.471 2.978 15.897 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 4.740 4.369 16.431 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -13.661 3.704 19.500 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -14.586 3.913 19.370 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -13.207 4.188 18.810 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -9.593 17.181 23.860 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -9.812 16.265 24.029 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -8.769 17.321 24.326 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -11.221 1.949 21.675 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -11.998 1.715 21.167 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -10.690 1.152 21.683 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -12.384 1.747 17.478 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -11.945 2.358 16.887 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -13.018 2.285 17.952 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -6.641 1.876 21.488 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -5.767 2.264 21.458 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -6.777 1.661 22.411 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -10.523 3.663 15.921 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -10.032 3.033 15.393 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -9.900 3.959 16.584 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -5.497 3.956 18.378 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -5.319 3.310 19.061 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -5.551 4.790 18.845 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -2.142 29.961 -16.079 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -2.053 30.905 -16.211 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -2.781 29.686 -16.737 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 0.497 32.155 -14.358 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 0.056 31.435 -13.908 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 0.484 32.876 -13.728 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -12.597 29.103 -15.013 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -12.383 28.333 -14.486 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -11.859 29.192 -15.616 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -1.679 26.043 -11.926 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -1.536 25.096 -11.906 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -1.785 26.250 -12.855 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -8.524 24.144 -14.654 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -8.481 25.004 -15.072 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -8.982 23.592 -15.287 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -11.904 26.541 -13.892 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -11.250 25.991 -13.460 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -11.880 26.267 -14.808 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -6.748 28.091 -14.676 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -6.132 27.565 -14.167 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -7.334 27.451 -15.080 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -9.714 23.062 -10.580 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -9.933 23.592 -11.346 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -10.382 23.289 -9.932 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -10.120 24.954 -12.627 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -9.507 25.587 -12.254 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -9.608 24.482 -13.284 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 1.009 33.995 -12.010 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 0.067 34.053 -11.849 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 1.285 34.901 -12.147 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 1.309 22.281 -10.593 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 0.573 22.892 -10.631 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 1.993 22.696 -11.119 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -5.688 20.368 -13.127 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -5.805 19.419 -13.181 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -6.543 20.700 -12.854 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 2.106 32.243 -8.399 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 2.246 31.652 -9.138 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 2.274 33.116 -8.755 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 3.948 28.583 -10.333 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 3.296 29.278 -10.244 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 4.413 28.793 -11.143 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -8.370 30.045 -15.792 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -8.700 29.675 -16.611 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -7.782 29.375 -15.446 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -7.003 33.473 -13.111 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -7.098 32.895 -13.868 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -6.274 33.102 -12.615 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -1.694 34.317 -11.425 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -1.935 34.979 -10.777 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -1.892 33.483 -11.000 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -13.536 34.258 -12.504 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -12.590 34.114 -12.523 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -13.649 35.042 -11.967 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 1.813 26.417 -6.342 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 1.406 26.898 -7.062 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 1.854 25.512 -6.649 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -8.419 21.271 -12.349 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -9.280 21.184 -12.757 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -8.441 22.127 -11.922 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -8.331 26.458 -16.342 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -9.224 26.117 -16.401 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -7.880 26.081 -17.098 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -1.791 26.320 -14.711 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -1.986 26.925 -15.426 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -1.609 25.486 -15.146 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -13.970 23.673 -15.537 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -13.339 23.644 -14.817 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -13.520 23.248 -16.267 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -5.749 23.885 -15.256 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -6.660 23.942 -14.967 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -5.244 23.825 -14.445 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -1.344 23.120 -11.992 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -2.021 23.251 -11.328 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -1.830 22.965 -12.802 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -4.429 26.673 -13.369 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -3.865 26.126 -13.916 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -4.577 26.151 -12.580 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.803 25.061 -10.955 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -6.638 25.515 -10.845 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -5.279 25.337 -10.203 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 1.891 30.407 -10.484 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 2.533 30.864 -11.027 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 1.061 30.520 -10.946 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -10.134 30.569 -13.501 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -9.389 30.567 -14.102 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -10.056 29.745 -13.019 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 4.206 31.965 -6.879 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 3.354 32.203 -7.246 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 4.796 31.948 -7.632 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -0.302 29.759 -12.229 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -1.230 29.527 -12.256 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 0.149 28.982 -12.559 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -7.759 34.087 -16.096 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -7.232 34.860 -16.297 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -8.639 34.312 -16.398 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -6.332 31.750 -16.520 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -6.573 32.675 -16.478 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -7.072 31.291 -16.124 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 0.386 36.550 -8.035 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -0.216 35.995 -8.530 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 0.667 37.217 -8.661 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 1.967 23.797 -7.786 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 1.051 24.060 -7.874 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 2.303 23.794 -8.683 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 0.569 27.548 -13.690 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -0.228 27.133 -14.019 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 1.014 26.857 -13.199 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -10.849 20.922 -13.331 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -11.078 20.981 -14.258 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -11.292 20.130 -13.024 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -1.456 34.774 -5.491 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -1.807 33.918 -5.248 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -0.730 34.917 -4.884 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -6.386 20.675 -9.085 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.484 21.622 -9.191 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -7.129 20.303 -9.561 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -14.047 38.564 -16.624 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -14.694 38.102 -17.157 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -13.692 37.892 -16.041 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -13.177 36.645 -14.819 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -13.511 35.764 -14.647 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -12.955 36.990 -13.955 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 2.386 32.811 -4.279 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 1.520 32.706 -3.885 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 2.762 33.570 -3.832 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 3.840 31.906 -11.993 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 4.674 31.528 -12.274 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 3.952 32.849 -12.112 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 2.327 34.784 -9.686 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 1.679 35.109 -9.061 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 1.809 34.344 -10.361 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -13.097 29.720 -12.368 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -12.913 29.638 -13.303 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -12.248 29.596 -11.944 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 2.724 29.612 -6.739 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 3.307 28.878 -6.548 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 3.288 30.384 -6.693 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 4.221 27.515 -6.055 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 3.358 27.136 -6.220 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 4.825 26.776 -6.129 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 2.190 25.806 -12.480 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 3.123 26.018 -12.514 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.955 25.908 -11.557 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 2.219 26.543 -9.704 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 1.376 26.811 -9.338 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 2.662 27.365 -9.915 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 4.502 20.523 -4.350 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 4.852 19.869 -4.956 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 4.649 21.360 -4.790 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -12.278 23.303 -13.336 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -11.833 22.511 -13.034 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -11.812 24.019 -12.905 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -13.974 26.302 -12.267 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -13.482 26.081 -13.057 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -13.612 27.143 -11.986 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 4.022 22.632 -6.001 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 3.105 22.903 -6.037 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 4.145 22.097 -6.785 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -1.895 38.132 -7.262 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -1.218 37.500 -7.502 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -1.573 38.534 -6.454 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 3.023 20.722 -8.182 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 2.210 21.047 -8.570 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 3.256 19.962 -8.715 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -11.149 38.704 -9.418 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -11.869 39.144 -9.869 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -11.515 38.453 -8.569 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -8.682 38.304 -10.388 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -9.547 38.376 -9.984 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -8.737 38.851 -11.172 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -3.971 38.192 -11.212 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -4.428 38.721 -11.866 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -3.808 38.795 -10.487 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -1.644 37.070 -10.267 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.548 37.235 -10.533 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -1.215 37.923 -10.333 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -11.734 37.327 -12.507 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -11.753 36.902 -11.650 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -10.929 37.009 -12.916 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -9.593 36.037 -13.852 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -9.812 35.121 -13.683 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -8.769 36.177 -13.386 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -7.056 36.507 -13.004 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -6.843 35.619 -13.291 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -6.991 36.473 -12.049 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -3.547 22.171 -13.859 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -4.222 21.542 -13.604 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -2.983 21.687 -14.462 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -11.221 20.805 -16.037 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -11.998 20.571 -16.545 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -10.690 20.008 -16.029 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 2.308 36.075 -6.109 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 1.526 35.889 -6.629 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 2.236 37.004 -5.892 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -2.142 29.961 2.777 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -2.053 30.905 2.645 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -2.781 29.686 2.119 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -3.209 29.216 6.196 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -3.247 28.570 6.901 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -3.532 28.750 5.425 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 0.497 32.155 4.498 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 0.056 31.435 4.948 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 0.484 32.876 5.128 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -2.392 37.260 4.710 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -1.772 36.583 4.437 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -2.600 37.042 5.618 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 3.843 23.250 7.463 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 3.892 23.860 8.199 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 4.269 23.711 6.740 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -1.679 26.043 6.930 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -1.536 25.096 6.950 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -1.785 26.250 6.001 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 1.309 22.281 8.263 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 0.573 22.892 8.225 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 1.993 22.696 7.737 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -0.739 35.776 3.471 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -0.314 35.069 2.986 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -0.422 36.577 3.054 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 0.420 33.677 1.980 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 0.163 32.987 1.368 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 0.491 33.234 2.825 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -0.015 29.415 1.181 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -0.747 29.643 1.754 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 0.432 28.701 1.636 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -1.694 34.317 7.431 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -1.935 34.979 8.079 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -1.892 33.483 7.856 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -7.123 33.213 11.414 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.435 33.995 11.870 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -7.773 33.060 10.728 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -3.418 35.314 2.301 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -2.944 35.609 3.079 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -3.981 36.052 2.068 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -8.884 35.285 12.178 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -8.876 35.149 11.230 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -9.800 35.167 12.430 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 2.554 20.327 -1.321 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 1.655 20.466 -1.026 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 2.806 21.158 -1.723 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 3.744 34.693 -2.944 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 3.817 35.632 -2.774 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 4.649 34.388 -3.001 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -4.360 34.498 10.910 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -4.273 35.324 11.385 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -5.224 34.168 11.159 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -3.946 38.270 0.716 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -4.021 38.149 -0.230 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -3.913 39.220 0.835 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -0.844 37.424 -2.281 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -0.469 36.680 -2.752 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -0.840 37.154 -1.363 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -1.175 37.350 0.468 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -2.110 37.450 0.647 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -0.895 36.641 1.046 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -11.038 32.801 10.511 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -10.821 32.440 11.371 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -11.893 32.427 10.301 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -3.756 20.993 9.881 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -3.336 20.578 10.634 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -4.689 20.815 9.998 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -0.430 24.749 10.735 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -0.944 24.623 11.532 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -0.585 25.661 10.490 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -3.693 27.049 12.819 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -4.256 26.345 13.139 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -2.867 26.929 13.286 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -2.527 27.958 8.816 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -2.203 27.327 8.173 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -2.967 27.423 9.477 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -1.344 23.120 6.864 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -2.021 23.251 7.528 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -1.830 22.965 6.054 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -10.459 31.266 12.749 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -9.726 31.520 13.310 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -11.239 31.470 13.264 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -3.739 31.458 10.823 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -4.085 31.077 11.629 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -3.939 32.392 10.894 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -6.109 28.547 12.883 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -6.405 28.381 11.988 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -5.178 28.327 12.873 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -1.489 33.920 10.773 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -2.390 34.103 10.505 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -1.455 34.179 11.694 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 4.242 26.165 -0.860 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 3.688 25.769 -1.532 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 4.343 27.075 -1.137 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 2.538 34.951 -0.395 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 2.165 34.125 -0.085 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 2.815 34.768 -1.292 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -0.302 29.759 6.627 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -1.230 29.527 6.600 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 0.149 28.982 6.297 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -5.817 35.899 8.651 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -5.454 36.754 8.418 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -5.285 35.607 9.392 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -2.273 31.998 8.352 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -2.699 31.771 9.178 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -1.692 31.260 8.169 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 0.796 31.600 -0.348 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 0.519 30.872 0.208 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 1.723 31.719 -0.142 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -11.841 35.588 8.663 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -11.624 34.656 8.632 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -11.594 35.862 9.547 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -2.757 23.524 9.118 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -2.059 23.598 9.768 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -3.138 22.660 9.273 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -4.237 25.890 10.235 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -4.118 26.464 10.992 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -3.582 25.202 10.350 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 0.569 27.548 5.166 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -0.228 27.133 4.837 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 1.014 26.857 5.657 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -12.630 37.475 13.016 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -12.090 37.258 13.775 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -13.111 36.669 12.826 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 0.663 35.719 -3.755 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 0.946 34.925 -3.302 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 1.403 35.952 -4.316 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -12.723 31.285 13.970 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -12.579 30.383 13.684 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -13.496 31.571 13.482 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -6.068 31.255 13.403 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -6.396 31.526 12.545 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -5.916 30.314 13.315 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -11.891 28.485 13.390 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -11.483 27.628 13.269 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -12.151 28.500 14.311 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -7.944 27.494 10.764 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -8.562 28.169 11.045 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -7.600 27.815 9.931 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 3.228 30.199 -3.884 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 2.955 29.774 -4.697 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 3.268 31.130 -4.101 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.604 24.849 11.847 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -7.454 24.120 11.244 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -7.602 25.626 11.288 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.610 28.658 9.579 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -4.859 28.502 9.006 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -5.949 29.510 9.303 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -9.126 26.047 13.758 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -9.893 25.515 13.548 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -8.447 25.737 13.159 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -6.386 20.675 9.771 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -6.484 21.622 9.665 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -7.129 20.303 9.295 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -5.122 24.997 13.334 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -5.358 24.777 14.236 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -5.905 24.790 12.825 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -2.406 24.124 12.410 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -3.354 24.156 12.542 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -2.094 23.499 13.064 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -6.164 19.969 12.442 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -5.452 19.329 12.428 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -6.265 20.236 11.528 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -5.811 21.652 14.496 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -5.942 21.176 13.675 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -6.410 22.396 14.440 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -6.264 38.535 -2.328 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -5.331 38.693 -2.184 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -6.528 39.210 -2.953 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 3.687 31.068 0.091 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 4.537 31.489 0.219 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 3.692 30.328 0.699 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 4.081 29.121 1.915 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 3.355 28.642 2.313 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 4.662 29.327 2.647 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 4.349 29.022 -1.694 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 3.828 29.379 -2.413 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 4.316 29.697 -1.016 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 2.698 26.262 -3.143 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 2.795 26.929 -3.823 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 2.558 25.446 -3.625 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 1.868 27.642 2.478 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.718 26.697 2.458 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 1.514 27.923 3.322 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 1.946 23.670 -4.026 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 2.556 23.298 -3.389 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 1.109 23.248 -3.830 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 2.190 25.806 6.376 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 3.123 26.018 6.342 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 1.955 25.908 7.299 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 4.058 22.555 -2.483 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 4.471 21.834 -2.959 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 4.740 23.225 -2.425 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 1.110 37.544 2.589 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 1.763 37.197 1.981 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 1.621 38.033 3.235 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -11.505 34.473 13.132 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -12.326 34.648 12.672 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -11.757 34.400 14.053 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -8.551 35.448 9.391 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -8.976 36.257 9.108 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -7.646 35.533 9.089 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -11.149 38.704 9.438 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -11.869 39.144 8.987 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -11.515 38.453 10.287 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -8.682 38.304 8.468 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -9.547 38.376 8.872 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -8.737 38.851 7.684 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -3.971 38.192 7.644 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -4.428 38.721 6.990 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -3.808 38.795 8.369 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -7.056 36.507 5.852 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -6.843 35.619 5.565 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -6.991 36.473 6.807 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 1.595 20.278 5.109 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 2.199 20.826 4.608 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 0.726 20.598 4.869 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 3.322 21.417 3.443 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 3.934 20.903 2.916 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 3.705 22.295 3.466 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -3.619 37.761 -2.083 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -2.753 38.127 -2.261 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -3.866 37.321 -2.896 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -12.597 29.103 22.699 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -12.383 28.333 23.226 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -11.859 29.192 22.096 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -8.524 24.144 23.058 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -8.481 25.004 22.640 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -8.982 23.592 22.425 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -11.904 26.541 23.820 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -11.250 25.991 24.252 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -11.880 26.267 22.904 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -12.616 32.373 18.989 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -12.888 32.602 18.100 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -12.571 33.211 19.449 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -9.380 29.115 19.509 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -9.672 29.883 19.018 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -10.054 28.455 19.346 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -8.331 26.458 21.370 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -9.224 26.117 21.311 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -7.880 26.081 20.614 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -7.212 23.931 15.123 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -7.643 23.486 15.853 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -7.930 24.303 14.611 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -13.970 23.673 22.175 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -13.339 23.644 22.895 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -13.520 23.248 21.445 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -10.921 25.514 21.283 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -11.810 25.614 20.943 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -10.625 24.672 20.937 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -7.268 25.514 18.939 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -6.336 25.643 19.117 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -7.483 26.184 18.290 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -8.594 26.709 16.506 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -9.136 26.329 15.815 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -7.760 26.903 16.077 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -9.427 22.809 20.761 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -9.744 21.907 20.726 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -8.646 22.811 20.209 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -12.004 28.949 16.203 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -11.388 29.576 16.582 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -12.866 29.265 16.474 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -10.589 30.862 17.695 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -11.275 31.214 18.262 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -10.066 31.625 17.449 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -8.232 23.048 17.532 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -8.315 23.937 17.878 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -7.342 22.783 17.763 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -11.657 26.140 15.708 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -11.702 27.079 15.887 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -12.545 25.904 15.438 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -10.849 20.922 24.381 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -11.078 20.981 23.454 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -11.292 20.130 24.688 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -8.382 31.629 14.958 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -8.318 30.835 15.489 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -7.729 31.510 14.269 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -12.696 33.171 16.011 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -11.782 33.250 16.284 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -12.689 32.484 15.344 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -13.097 29.720 25.344 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -12.913 29.638 24.409 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -12.248 29.596 25.768 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -12.278 23.303 24.376 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -11.833 22.511 24.678 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -11.812 24.019 24.807 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -13.974 26.302 25.445 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -13.482 26.081 24.655 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -13.612 27.143 25.726 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -11.221 20.805 21.675 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -11.998 20.571 21.167 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -10.690 20.008 21.683 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -6.641 20.732 21.488 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -5.767 21.120 21.458 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.777 20.517 22.411 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -5.497 22.812 18.378 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -5.319 22.166 19.061 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -5.551 23.646 18.845 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -10.841 47.687 -11.067 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -10.799 47.061 -10.343 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -10.138 48.310 -10.885 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -12.597 47.959 -15.013 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -12.383 47.189 -14.486 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -11.859 48.048 -15.616 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -11.904 45.397 -13.892 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -11.250 44.847 -13.460 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -11.880 45.123 -14.808 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -5.688 39.224 -13.127 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -5.805 38.275 -13.181 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -6.543 39.556 -12.854 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -10.203 48.267 -8.213 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.133 48.918 -7.515 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -11.094 48.370 -8.548 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -13.287 50.334 -9.388 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -13.788 50.306 -10.203 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -13.281 49.428 -9.078 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -13.536 53.114 -12.504 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -12.590 52.970 -12.523 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -13.649 53.898 -11.967 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -11.038 51.657 -8.345 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -10.821 51.296 -7.485 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -11.893 51.283 -8.555 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -8.419 40.127 -12.349 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -9.280 40.040 -12.757 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -8.441 40.983 -11.922 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -3.756 39.849 -8.975 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -3.336 39.434 -8.222 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -4.689 39.671 -8.858 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -10.578 45.413 -9.387 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -10.616 45.813 -8.519 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -11.069 44.596 -9.297 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -13.970 42.529 -15.537 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -13.339 42.500 -14.817 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -13.520 42.104 -16.267 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -10.459 50.122 -6.107 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -9.726 50.376 -5.546 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -11.239 50.326 -5.592 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -11.492 42.639 -8.628 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -12.385 42.978 -8.695 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -11.591 41.784 -8.210 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -10.849 39.778 -13.331 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -11.078 39.837 -14.258 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -11.292 38.986 -13.024 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -12.723 50.141 -4.886 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -12.579 49.239 -5.172 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -13.496 50.427 -5.374 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -11.891 47.341 -5.466 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -11.483 46.484 -5.587 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -12.151 47.356 -4.545 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -6.386 39.531 -9.085 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -6.484 40.478 -9.191 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -7.129 39.159 -9.561 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -10.945 42.824 -5.393 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -10.734 42.117 -6.004 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -11.057 42.386 -4.549 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -6.164 38.825 -6.414 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -5.452 38.185 -6.428 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -6.265 39.092 -7.328 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -5.811 40.508 -4.360 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -5.942 40.032 -5.181 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -6.410 41.252 -4.416 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -13.097 48.576 -12.368 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -12.913 48.494 -13.303 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -12.248 48.452 -11.944 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -13.499 43.847 -6.227 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -12.580 43.725 -5.991 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -13.949 43.097 -5.838 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -12.278 42.159 -13.336 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -11.833 41.367 -13.034 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -11.812 42.875 -12.905 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -13.974 45.158 -12.267 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -13.482 44.937 -13.057 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -13.612 45.999 -11.986 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -13.661 41.416 -18.212 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -14.586 41.625 -18.342 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -13.207 41.900 -18.902 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -13.697 40.154 -9.868 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -14.362 39.908 -9.225 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -14.140 40.776 -10.445 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -11.263 40.175 -6.520 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -11.629 39.410 -6.077 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -10.350 40.204 -6.233 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -9.290 39.526 -4.984 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -8.391 39.252 -5.169 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -9.676 38.783 -4.520 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -0.868 38.858 -4.802 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -0.792 38.432 -3.948 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 0.025 38.872 -5.144 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -13.307 45.797 1.717 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -13.755 46.643 1.699 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -13.868 45.217 1.202 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -8.524 43.000 4.202 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -8.481 43.860 3.784 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -8.982 42.448 3.569 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -11.904 45.397 4.964 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -11.250 44.847 5.396 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -11.880 45.123 4.048 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -9.714 41.918 8.276 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -9.933 42.448 7.510 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -10.382 42.145 8.924 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -10.120 43.810 6.229 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -9.507 44.443 6.602 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -9.608 43.338 5.572 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -5.688 39.224 5.729 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -5.805 38.275 5.675 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -6.543 39.556 6.002 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -8.419 40.127 6.507 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -9.280 40.040 6.099 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -8.441 40.983 6.934 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -7.212 42.787 -3.733 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -7.643 42.342 -3.003 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -7.930 43.159 -4.245 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -13.970 42.529 3.319 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -13.339 42.500 4.039 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -13.520 42.104 2.589 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -12.695 43.275 -1.257 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -12.221 43.866 -1.842 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -13.413 43.806 -0.910 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -5.749 42.741 3.600 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -6.660 42.798 3.889 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -5.244 42.681 4.411 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -10.921 44.370 2.427 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -11.810 44.470 2.087 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -10.625 43.528 2.081 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -9.427 41.665 1.905 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -9.744 40.763 1.870 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -8.646 41.667 1.353 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -12.004 47.805 -2.653 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -11.388 48.432 -2.274 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -12.866 48.121 -2.382 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -11.492 42.639 10.228 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -12.385 42.978 10.161 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -11.591 41.784 10.646 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -3.889 40.841 1.988 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -4.236 41.459 2.633 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -3.231 41.342 1.507 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -8.232 41.904 -1.324 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -8.315 42.793 -0.978 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -7.342 41.639 -1.093 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -11.657 44.996 -3.148 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -11.702 45.935 -2.969 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -12.545 44.760 -3.418 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -7.192 42.075 9.339 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -6.656 42.526 8.687 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -8.044 41.967 8.917 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -6.386 39.531 9.771 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -6.484 40.478 9.665 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -7.129 39.159 9.295 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -12.696 52.027 -2.845 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -11.782 52.106 -2.572 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -12.689 51.340 -3.512 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -12.278 42.159 5.520 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -11.833 41.367 5.822 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -11.812 42.875 5.951 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -13.974 45.158 6.589 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -13.482 44.937 5.799 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -13.612 45.999 6.870 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -13.661 41.416 0.644 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -14.586 41.625 0.514 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -13.207 41.900 -0.046 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -13.697 40.154 8.988 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -14.362 39.908 9.631 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -14.140 40.776 8.411 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -6.641 39.588 2.632 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -5.767 39.976 2.602 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -6.777 39.373 3.555 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -10.523 41.375 -2.935 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -10.032 40.745 -3.463 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -9.900 41.671 -2.272 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -5.497 41.668 -0.478 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -5.319 41.022 0.205 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -5.551 42.502 -0.011 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 16.714 -7.751 2.777 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 16.803 -6.807 2.645 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 16.075 -8.026 2.119 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 19.353 -5.557 4.498 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 18.912 -6.277 4.948 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 19.340 -4.836 5.128 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 6.259 -8.609 3.843 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 6.473 -9.379 4.370 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 6.997 -8.520 3.240 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 16.464 -0.452 4.710 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 17.084 -1.129 4.437 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 16.256 -0.670 5.618 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 17.177 -11.669 6.930 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 17.320 -12.616 6.950 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 17.071 -11.462 6.001 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 6.952 -11.171 4.964 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 7.606 -11.721 5.396 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 6.976 -11.445 4.048 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 12.108 -9.621 4.180 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 12.724 -10.147 4.689 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 11.522 -10.261 3.776 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 16.511 -5.150 1.820 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 16.215 -5.472 0.969 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 16.187 -4.250 1.862 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 6.240 -5.339 0.133 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 5.968 -5.110 -0.756 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 6.285 -4.501 0.593 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 18.117 -1.936 3.471 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 18.542 -2.643 2.986 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 18.434 -1.135 3.054 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 19.276 -4.035 1.980 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 19.019 -4.725 1.368 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 19.347 -4.478 2.825 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 22.804 -9.129 8.523 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 22.152 -8.434 8.612 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 23.269 -8.919 7.713 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 18.841 -8.297 1.181 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 18.109 -8.069 1.754 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 19.288 -9.011 1.636 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 18.738 -10.123 10.249 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 18.818 -9.360 10.821 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 18.137 -9.844 9.558 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 10.486 -7.667 3.064 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 10.156 -8.037 2.245 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 11.074 -8.337 3.410 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 11.853 -4.239 5.745 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 11.758 -4.817 4.988 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 12.582 -4.610 6.241 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 10.853 -8.898 6.697 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 11.418 -8.777 5.934 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 11.172 -8.261 7.336 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 15.438 -2.398 2.301 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 15.912 -2.103 3.079 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 14.875 -1.660 2.068 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 23.517 -2.788 12.034 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 23.468 -3.743 11.997 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 22.691 -2.520 12.436 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 8.564 -0.653 2.497 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 8.716 -1.001 3.376 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 7.713 -1.009 2.242 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 20.669 -11.295 12.514 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 20.262 -10.814 11.794 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 20.710 -12.200 12.207 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 18.426 -12.963 10.735 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 17.912 -13.089 11.532 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 18.271 -12.051 10.490 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 10.528 -11.475 7.602 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 9.886 -11.516 8.311 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 10.565 -10.549 7.364 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 15.163 -10.663 12.819 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 14.600 -11.367 13.139 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 15.989 -10.783 13.286 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 17.065 -11.392 4.145 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 16.870 -10.787 3.430 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 17.247 -12.226 3.710 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 8.278 -11.155 9.469 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 8.240 -10.755 10.337 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 7.787 -11.972 9.559 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 20.799 1.080 13.141 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 20.999 1.504 12.306 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 21.455 1.423 13.748 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 14.427 -11.039 5.487 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 14.991 -11.586 4.940 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 14.279 -11.561 6.276 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 13.053 -12.651 7.901 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 12.218 -12.197 8.011 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 13.577 -12.375 8.653 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 12.747 -9.165 12.883 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 12.451 -9.331 11.988 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 13.678 -9.385 12.873 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 23.062 -5.747 11.977 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 22.210 -5.509 11.610 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 23.652 -5.764 11.224 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 11.097 -3.625 2.760 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 11.624 -2.852 2.559 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 10.217 -3.400 2.458 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 12.524 -5.962 2.336 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 12.283 -5.037 2.378 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 11.784 -6.421 2.732 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 11.208 -0.940 1.881 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 10.258 -0.835 1.933 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 11.559 -0.120 2.226 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 16.099 -14.188 9.118 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 16.797 -14.114 9.768 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 15.718 -15.052 9.273 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 14.619 -11.822 10.235 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 14.738 -11.248 10.992 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 15.274 -12.510 10.350 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 19.425 -10.164 5.166 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 18.628 -10.579 4.837 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 19.870 -10.855 5.657 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 17.400 -2.938 13.365 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 17.049 -3.794 13.608 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 18.126 -2.795 13.972 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 6.133 -6.427 13.970 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 6.277 -7.329 13.684 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 5.360 -6.141 13.482 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 12.788 -6.457 13.403 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 12.460 -6.186 12.545 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 12.940 -7.398 13.315 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 6.965 -9.227 13.390 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 7.373 -10.084 13.269 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 6.705 -9.212 14.311 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 10.912 -10.218 10.764 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 10.294 -9.543 11.045 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 11.256 -9.897 9.931 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 15.932 -7.747 14.042 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 16.885 -7.663 14.014 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 15.772 -8.458 14.661 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 18.978 -8.450 12.685 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 18.697 -7.741 12.107 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 19.921 -8.523 12.534 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 4.809 0.852 2.232 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 4.162 0.390 1.699 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 5.164 0.180 2.815 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 23.228 -0.258 7.017 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 23.206 -0.073 7.956 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 23.918 0.311 6.676 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 21.242 -4.901 14.577 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 20.376 -5.006 14.971 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 21.618 -4.142 15.024 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 5.759 -7.992 6.488 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 5.943 -8.074 5.553 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 6.608 -8.116 6.912 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 21.580 -8.100 12.117 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 22.163 -8.834 12.308 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 22.144 -7.328 12.163 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 23.077 -10.197 12.801 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 22.214 -10.576 12.636 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 23.681 -10.936 12.727 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 21.046 -11.906 6.376 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 21.979 -11.694 6.342 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 20.811 -11.804 7.299 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 21.075 -11.169 9.152 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 20.232 -10.901 9.518 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 21.518 -10.347 8.941 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 4.882 -11.410 6.589 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 5.374 -11.631 5.799 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 5.244 -10.569 6.870 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 19.966 -0.168 2.589 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 20.619 -0.515 1.981 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 20.477 0.321 3.235 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 6.373 -1.161 -0.480 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 5.688 -1.199 -1.148 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 6.376 -0.248 -0.192 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 21.164 -1.637 12.747 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 20.382 -1.823 12.227 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 21.092 -0.708 12.964 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 15.438 -2.398 21.157 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 15.912 -2.103 21.935 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 14.875 -1.660 20.924 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 22.600 -3.019 15.912 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 22.673 -2.080 16.082 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 23.505 -3.324 15.855 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 14.910 0.558 19.572 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 14.835 0.437 18.626 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 14.943 1.508 19.691 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 8.564 -0.653 21.353 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 8.716 -1.001 22.232 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 7.713 -1.009 21.098 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 18.012 -0.288 16.575 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 18.387 -1.032 16.104 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 18.016 -0.558 17.493 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 17.681 -0.362 19.324 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 16.746 -0.262 19.503 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 17.961 -1.071 19.902 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 19.189 -8.102 15.352 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 19.231 -8.325 14.422 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 20.038 -7.704 15.542 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 13.597 -6.438 18.442 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 12.853 -6.945 18.119 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 13.463 -6.389 19.388 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 15.723 -4.979 17.467 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 15.428 -4.153 17.849 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 15.020 -5.599 17.663 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 11.097 -3.625 21.616 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 11.624 -2.852 21.415 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 10.217 -3.400 21.314 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 6.852 -8.763 16.203 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 7.468 -8.136 16.582 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 5.990 -8.447 16.474 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 11.208 -0.940 20.737 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 10.258 -0.835 20.789 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 11.559 -0.120 21.082 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 18.786 -4.785 16.282 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 19.139 -5.165 17.086 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 17.837 -4.878 16.368 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 11.814 -4.103 17.185 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 11.961 -4.623 17.975 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 11.811 -3.196 17.491 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 8.267 -6.850 17.695 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 7.581 -6.498 18.262 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 8.790 -6.087 17.449 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 14.552 -2.405 17.934 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 13.735 -1.908 17.987 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 15.081 -1.930 17.294 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 8.883 -4.236 16.592 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 9.475 -3.537 16.868 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 9.342 -4.669 15.873 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 6.937 -2.850 20.542 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 6.105 -2.377 20.569 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 7.483 -2.340 19.943 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 19.519 -1.993 15.101 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 19.802 -2.787 15.554 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 20.259 -1.760 14.540 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 10.474 -6.083 14.958 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 10.538 -6.877 15.489 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 11.127 -6.202 14.269 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 15.826 -5.036 14.694 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 15.558 -4.856 15.595 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 15.620 -5.962 14.563 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 22.084 -7.513 14.972 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 21.811 -7.938 14.159 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 22.124 -6.582 14.755 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 6.160 -4.541 16.011 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 7.074 -4.462 16.284 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 6.167 -5.228 15.344 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 6.373 -1.161 18.376 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 5.688 -1.199 17.708 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 6.376 -0.248 18.664 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 5.549 8.085 1.717 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 5.101 8.931 1.699 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 4.988 7.505 1.202 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 6.259 10.247 3.843 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 6.473 9.477 4.370 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 6.997 10.336 3.240 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 22.699 4.394 7.463 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 22.748 5.004 8.199 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 23.125 4.855 6.740 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 10.332 5.288 4.202 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 10.375 6.148 3.784 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 9.874 4.736 3.569 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 6.952 7.685 4.964 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 7.606 7.135 5.396 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 6.976 7.411 4.048 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 12.108 9.235 4.180 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 12.724 8.709 4.689 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 11.522 8.595 3.776 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 11.711 11.882 8.564 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 10.971 12.480 8.667 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 12.425 12.436 8.248 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 10.119 13.846 9.351 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 10.113 14.725 8.973 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 9.265 13.763 9.776 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 20.165 3.425 8.263 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 19.429 4.036 8.225 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 20.849 3.840 7.737 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 13.168 1.512 5.729 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 13.051 0.563 5.675 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 12.313 1.844 6.002 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 10.853 9.958 6.697 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 11.418 10.079 5.934 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 11.172 10.595 7.336 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 5.569 12.622 9.468 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 5.068 12.594 8.653 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 5.575 11.716 9.778 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 7.818 13.945 10.511 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 8.035 13.584 11.371 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 6.963 13.571 10.301 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 10.525 7.602 2.514 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 9.632 7.261 2.455 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 10.976 7.225 1.758 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 15.163 8.193 12.819 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 14.600 7.489 13.139 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 15.989 8.073 13.286 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 4.886 4.817 3.319 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 5.517 4.788 4.039 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 5.336 4.392 2.589 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 13.107 5.029 3.600 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 12.196 5.086 3.889 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 13.612 4.969 4.411 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 7.935 6.658 2.427 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 7.046 6.758 2.087 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 8.231 5.816 2.081 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 17.512 4.264 6.864 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 16.835 4.395 7.528 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 17.026 4.109 6.054 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 8.397 12.410 12.749 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 9.130 12.664 13.310 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 7.617 12.614 13.264 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 9.429 3.953 1.905 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 9.112 3.051 1.870 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 10.210 3.955 1.353 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 13.053 6.205 7.901 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 12.218 6.659 8.011 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 13.577 6.481 8.653 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 8.722 11.713 5.355 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 9.467 11.711 4.754 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 8.800 10.889 5.837 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 12.747 9.691 12.883 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 12.451 9.525 11.988 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 13.678 9.471 12.873 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 16.099 4.668 9.118 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 16.797 4.742 9.768 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 15.718 3.804 9.273 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 14.619 7.034 10.235 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 14.738 7.608 10.992 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 15.274 6.346 10.350 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 6.133 12.429 13.970 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 6.277 11.527 13.684 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 5.360 12.715 13.482 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 10.912 8.638 10.764 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 10.294 9.313 11.045 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 11.256 8.959 9.931 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 11.252 5.993 11.847 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 11.402 5.264 11.244 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 11.254 6.770 11.288 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 11.664 4.363 9.339 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 12.200 4.814 8.687 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 10.812 4.255 8.917 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 13.246 9.802 9.579 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 13.997 9.646 9.006 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 12.907 10.654 9.303 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 9.730 7.191 13.758 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 8.963 6.659 13.548 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 10.409 6.881 13.159 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 13.734 6.141 13.334 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 13.498 5.921 14.236 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 12.951 5.934 12.825 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 16.450 5.268 12.410 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 15.502 5.300 12.542 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 16.762 4.643 13.064 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 18.084 3.902 14.415 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 17.987 2.950 14.409 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 17.762 4.171 15.276 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 4.809 19.708 2.232 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 4.162 19.246 1.699 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 5.164 19.036 2.815 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 5.759 10.864 6.488 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 5.943 10.782 5.553 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 6.608 10.740 6.912 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 5.195 3.704 0.644 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 4.270 3.913 0.514 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 5.649 4.188 -0.046 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 21.879 1.866 10.674 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 21.066 2.191 10.286 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 22.112 1.106 10.141 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 15.309 3.315 4.997 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 14.634 2.686 5.252 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 15.873 2.831 4.394 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 20.451 1.422 5.109 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 21.055 1.970 4.608 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 19.582 1.742 4.869 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 22.178 2.561 3.443 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 22.790 2.047 2.916 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 22.561 3.439 3.466 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 7.635 1.949 2.819 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 6.858 1.715 2.311 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 8.166 1.152 2.827 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 6.472 1.747 -1.378 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 6.911 2.358 -1.969 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 5.838 2.285 -0.904 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 12.215 1.876 2.632 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 13.089 2.264 2.602 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 12.079 1.661 3.555 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 17.772 1.906 4.281 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 17.848 2.001 3.332 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 17.496 0.998 4.410 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 17.988 1.146 14.054 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 18.064 0.720 14.908 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 18.881 1.160 13.712 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 14.762 4.630 16.022 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 14.508 4.649 16.945 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 14.505 3.758 15.721 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 6.161 5.563 17.599 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 6.635 6.154 17.014 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 5.443 6.094 17.946 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 11.588 6.658 18.939 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 12.520 6.787 19.117 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 11.373 7.328 18.290 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 10.262 7.853 16.506 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 9.720 7.473 15.815 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 11.096 8.047 16.077 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 9.429 3.953 20.761 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 9.112 3.051 20.726 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 10.210 3.955 20.209 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 17.495 5.232 16.641 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 16.557 5.344 16.490 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 17.792 6.089 16.947 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 6.852 10.093 16.203 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 7.468 10.720 16.582 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 5.990 10.409 16.474 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 16.883 4.320 19.071 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 17.103 4.792 18.268 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 17.441 4.715 19.742 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 14.083 6.048 19.906 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 14.895 6.552 19.952 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 13.838 5.903 20.820 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 14.967 3.129 20.844 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 14.620 3.747 21.489 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 15.625 3.630 20.363 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 10.624 4.192 17.532 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 10.541 5.081 17.878 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 11.514 3.927 17.763 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 7.199 7.284 15.708 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 7.154 8.223 15.887 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 6.311 7.048 15.438 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 12.694 8.988 15.527 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 12.514 8.834 14.599 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 13.645 9.096 15.571 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 7.635 1.949 21.675 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 6.858 1.715 21.167 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 8.166 1.152 21.683 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 6.472 1.747 17.478 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 6.911 2.358 16.887 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 5.838 2.285 17.952 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 12.215 1.876 21.488 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 13.089 2.264 21.458 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 12.079 1.661 22.411 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 19.125 1.932 18.830 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 18.422 2.546 18.620 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 18.680 1.094 18.961 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 8.333 3.663 15.921 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 8.824 3.033 15.393 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 8.956 3.959 16.584 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 13.359 3.956 18.378 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 13.537 3.310 19.061 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 13.305 4.790 18.845 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 5.569 31.478 -9.388 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 5.068 31.450 -10.203 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 5.575 30.572 -9.078 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 5.549 26.941 1.717 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 5.101 27.787 1.699 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 4.988 26.361 1.202 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 4.886 23.673 3.319 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 5.517 23.644 4.039 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 5.336 23.248 2.589 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 6.161 24.419 -1.257 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 6.635 25.010 -1.842 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 5.443 24.950 -0.910 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 6.578 23.303 5.520 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 7.023 22.511 5.822 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 7.044 24.019 5.951 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 4.882 26.302 6.589 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 5.374 26.081 5.799 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 5.244 27.143 6.870 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 5.195 22.560 0.644 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 4.270 22.769 0.514 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 5.649 23.044 -0.046 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 6.472 20.603 -1.378 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 6.911 21.214 -1.969 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 5.838 21.141 -0.904 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 27.795 -4.431 6.324 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 27.425 -5.233 5.955 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 28.736 -4.600 6.371 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 24.425 -6.234 9.468 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 23.924 -6.262 8.653 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 24.431 -7.140 9.778 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 24.176 -3.454 6.352 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 25.122 -3.598 6.333 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 24.063 -2.670 6.889 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 26.674 -4.911 10.511 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 26.891 -5.272 11.371 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 25.819 -5.285 10.301 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 24.586 -8.682 10.670 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 24.809 -9.100 11.502 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 23.984 -9.295 10.248 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 25.871 -2.124 8.663 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 26.088 -3.056 8.632 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 26.118 -1.850 9.547 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 25.082 -0.237 13.016 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 25.622 -0.454 13.775 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 24.601 -1.043 12.826 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 24.989 -6.427 13.970 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 25.133 -7.329 13.684 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 24.216 -6.141 13.482 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 23.665 0.852 2.232 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 23.018 0.390 1.699 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 24.020 0.180 2.815 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 24.535 -1.067 4.037 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 24.201 -1.948 4.209 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 24.757 -0.722 4.901 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 24.615 -7.992 6.488 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 24.799 -8.074 5.553 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 25.464 -8.116 6.912 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 26.207 -3.239 13.132 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 25.386 -3.064 12.672 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 25.955 -3.312 14.053 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 26.563 0.992 9.438 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 25.843 1.432 8.987 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 26.197 0.741 10.287 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 25.978 -0.385 6.349 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 25.959 -0.810 7.206 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 26.783 -0.703 5.940 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 24.015 2.442 8.988 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 23.350 2.196 9.631 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 23.572 3.064 8.411 0.00 0.00 WAT1 END