REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" 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:03-Sep-2010 14:05:19 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 12.249 -23.630 12.166 1.00 71.20 ATOM 2 CB MET 1 13.532 -23.543 13.880 1.00 23.52 ATOM 3 HB1 MET 1 13.533 -22.467 14.016 1.00 37.95 ATOM 4 HB2 MET 1 14.506 -23.926 14.149 1.00 20.51 ATOM 5 CG MET 1 12.512 -24.153 14.828 1.00 1.31 ATOM 6 HG1 MET 1 12.925 -24.126 15.826 1.00 37.95 ATOM 7 HG2 MET 1 12.325 -25.179 14.554 1.00 25.11 ATOM 8 SD MET 1 10.947 -23.258 14.832 1.00 13.24 ATOM 9 CE MET 1 10.337 -23.649 16.470 1.00 23.45 ATOM 10 HE1 MET 1 11.039 -23.294 17.210 1.00 30.03 ATOM 11 HE2 MET 1 10.223 -24.719 16.566 1.00 71.43 ATOM 12 HE3 MET 1 9.381 -23.170 16.622 1.00 23.13 ATOM 13 C MET 1 14.191 -23.040 11.520 1.00 50.12 ATOM 14 O MET 1 15.090 -23.570 10.868 1.00 34.22 ATOM 15 N MET 1 13.471 -25.298 12.168 1.00 75.45 ATOM 16 HT1 MET 1 12.771 -25.859 12.692 1.00 37.95 ATOM 17 HT2 MET 1 14.427 -25.596 12.463 1.00 37.95 ATOM 18 HT3 MET 1 13.359 -25.511 11.153 1.00 37.95 ATOM 19 CA MET 1 13.274 -23.874 12.409 1.00 52.31 ATOM 20 N GLY 2 13.957 -21.731 11.498 1.00 23.11 ATOM 21 HN GLY 2 13.230 -21.353 12.046 1.00 37.95 ATOM 22 CA GLY 2 14.771 -20.846 10.685 1.00 13.22 ATOM 23 HA1 GLY 2 15.341 -21.415 9.959 1.00 37.95 ATOM 24 HA2 GLY 2 15.464 -20.331 11.334 1.00 41.21 ATOM 25 C GLY 2 13.941 -19.822 9.936 1.00 45.05 ATOM 26 O GLY 2 12.875 -20.141 9.409 1.00 31.22 ATOM 27 N HIS 3 14.431 -18.587 9.888 1.00 53.14 ATOM 28 HN HIS 3 15.293 -18.387 10.322 1.00 37.95 ATOM 29 CA HIS 3 13.727 -17.512 9.198 1.00 54.05 ATOM 30 HA HIS 3 12.880 -17.922 8.662 1.00 3.52 ATOM 31 CB HIS 3 13.209 -16.484 10.204 1.00 30.23 ATOM 32 HB1 HIS 3 12.402 -16.929 10.769 1.00 37.95 ATOM 33 HB2 HIS 3 12.832 -15.614 9.683 1.00 72.24 ATOM 34 CG HIS 3 14.248 -16.026 11.181 1.00 62.42 ATOM 35 ND1 HIS 3 14.458 -16.639 12.398 1.00 3.44 ATOM 36 HD1 HIS 3 13.965 -17.413 12.742 1.00 51.41 ATOM 37 CD2 HIS 3 15.140 -15.011 11.113 1.00 2.43 ATOM 38 HD2 HIS 3 15.259 -14.316 10.294 1.00 23.31 ATOM 39 CE1 HIS 3 15.433 -16.018 13.038 1.00 23.03 ATOM 40 HE1 HIS 3 15.813 -16.278 14.015 1.00 51.11 ATOM 41 NE2 HIS 3 15.865 -15.027 12.280 1.00 54.53 ATOM 42 HE2 HIS 3 16.648 -14.470 12.471 1.00 37.95 ATOM 43 C HIS 3 14.637 -16.831 8.180 1.00 24.23 ATOM 44 O HIS 3 14.822 -15.614 8.214 1.00 61.13 ATOM 45 N HIS 4 15.205 -17.624 7.277 1.00 21.42 ATOM 46 HN HIS 4 14.989 -18.583 7.275 1.00 37.95 ATOM 47 CA HIS 4 16.097 -17.098 6.250 1.00 2.03 ATOM 48 HA HIS 4 16.247 -16.037 6.411 1.00 42.31 ATOM 49 CB HIS 4 17.459 -17.790 6.324 1.00 54.01 ATOM 50 HB1 HIS 4 17.974 -17.439 7.206 1.00 37.95 ATOM 51 HB2 HIS 4 18.053 -17.541 5.455 1.00 74.53 ATOM 52 CG HIS 4 17.368 -19.282 6.420 1.00 13.24 ATOM 53 ND1 HIS 4 17.139 -19.947 7.607 1.00 44.33 ATOM 54 HD1 HIS 4 17.016 -19.527 8.484 1.00 61.24 ATOM 55 CD2 HIS 4 17.474 -20.239 5.469 1.00 1.30 ATOM 56 HD2 HIS 4 17.653 -20.078 4.415 1.00 3.31 ATOM 57 CE1 HIS 4 17.111 -21.248 7.381 1.00 21.01 ATOM 58 HE1 HIS 4 16.950 -22.015 8.124 1.00 61.22 ATOM 59 NE2 HIS 4 17.311 -21.452 6.092 1.00 41.25 ATOM 60 HE2 HIS 4 17.431 -22.329 5.671 1.00 37.95 ATOM 61 C HIS 4 15.494 -17.282 4.861 1.00 43.32 ATOM 62 O HIS 4 16.198 -17.612 3.906 1.00 24.41 ATOM 63 N HIS 5 14.187 -17.066 4.755 1.00 50.21 ATOM 64 HN HIS 5 13.675 -16.775 5.547 1.00 37.95 ATOM 65 CA HIS 5 13.489 -17.208 3.482 1.00 43.12 ATOM 66 HA HIS 5 13.880 -18.086 2.975 1.00 73.10 ATOM 67 CB HIS 5 11.990 -17.392 3.716 1.00 54.43 ATOM 68 HB1 HIS 5 11.438 -17.051 2.846 1.00 37.95 ATOM 69 HB2 HIS 5 11.686 -16.807 4.572 1.00 22.54 ATOM 70 CG HIS 5 11.593 -18.813 3.971 1.00 31.11 ATOM 71 ND1 HIS 5 12.299 -19.653 4.806 1.00 12.03 ATOM 72 HD1 HIS 5 13.109 -19.417 5.304 1.00 41.24 ATOM 73 CD2 HIS 5 10.555 -19.541 3.497 1.00 63.51 ATOM 74 HD2 HIS 5 9.791 -19.199 2.813 1.00 73.42 ATOM 75 CE1 HIS 5 11.714 -20.837 4.833 1.00 34.05 ATOM 76 HE1 HIS 5 12.046 -21.693 5.402 1.00 70.34 ATOM 77 NE2 HIS 5 10.653 -20.796 4.048 1.00 52.34 ATOM 78 HE2 HIS 5 9.986 -21.509 3.962 1.00 37.95 ATOM 79 C HIS 5 13.732 -15.993 2.591 1.00 62.43 ATOM 80 O HIS 5 14.075 -14.914 3.075 1.00 65.34 ATOM 81 N HIS 6 13.553 -16.177 1.286 1.00 14.05 ATOM 82 HN HIS 6 13.273 -17.060 0.950 1.00 37.95 ATOM 83 CA HIS 6 13.753 -15.096 0.328 1.00 75.13 ATOM 84 HA HIS 6 14.122 -14.218 0.848 1.00 21.12 ATOM 85 CB HIS 6 14.773 -15.509 -0.733 1.00 63.20 ATOM 86 HB1 HIS 6 14.560 -15.015 -1.673 1.00 37.95 ATOM 87 HB2 HIS 6 14.722 -16.578 -0.884 1.00 61.54 ATOM 88 CG HIS 6 16.186 -15.171 -0.368 1.00 61.24 ATOM 89 ND1 HIS 6 17.166 -14.921 -1.306 1.00 21.33 ATOM 90 HD1 HIS 6 17.046 -14.938 -2.278 1.00 21.53 ATOM 91 CD2 HIS 6 16.781 -15.041 0.840 1.00 5.32 ATOM 92 HD2 HIS 6 16.309 -15.167 1.804 1.00 40.41 ATOM 93 CE1 HIS 6 18.304 -14.653 -0.690 1.00 35.55 ATOM 94 HE1 HIS 6 19.243 -14.419 -1.170 1.00 35.14 ATOM 95 NE2 HIS 6 18.097 -14.719 0.613 1.00 0.14 ATOM 96 HE2 HIS 6 18.793 -14.652 1.300 1.00 37.95 ATOM 97 C HIS 6 12.435 -14.711 -0.339 1.00 65.25 ATOM 98 O HIS 6 11.404 -15.344 -0.111 1.00 12.40 ATOM 99 N HIS 7 12.478 -13.670 -1.164 1.00 53.34 ATOM 100 HN HIS 7 13.336 -13.202 -1.306 1.00 37.95 ATOM 101 CA HIS 7 11.287 -13.200 -1.865 1.00 24.33 ATOM 102 HA HIS 7 10.554 -12.913 -1.120 1.00 0.22 ATOM 103 CB HIS 7 11.623 -11.980 -2.723 1.00 34.13 ATOM 104 HB1 HIS 7 10.746 -11.682 -3.284 1.00 37.95 ATOM 105 HB2 HIS 7 12.413 -12.239 -3.412 1.00 32.10 ATOM 106 CG HIS 7 12.077 -10.795 -1.927 1.00 60.14 ATOM 107 ND1 HIS 7 13.176 -10.036 -2.269 1.00 64.11 ATOM 108 HD1 HIS 7 13.758 -10.187 -3.043 1.00 45.22 ATOM 109 CD2 HIS 7 11.573 -10.239 -0.801 1.00 52.43 ATOM 110 HD2 HIS 7 10.705 -10.577 -0.252 1.00 0.13 ATOM 111 CE1 HIS 7 13.330 -9.065 -1.387 1.00 32.14 ATOM 112 HE1 HIS 7 14.108 -8.316 -1.401 1.00 63.22 ATOM 113 NE2 HIS 7 12.369 -9.165 -0.486 1.00 22.44 ATOM 114 HE2 HIS 7 12.192 -8.515 0.226 1.00 37.95 ATOM 115 C HIS 7 10.700 -14.305 -2.738 1.00 13.03 ATOM 116 O HIS 7 11.431 -15.119 -3.302 1.00 72.33 ATOM 117 N HIS 8 9.375 -14.327 -2.843 1.00 72.35 ATOM 118 HN HIS 8 8.839 -13.641 -2.379 1.00 37.95 ATOM 119 CA HIS 8 8.689 -15.332 -3.648 1.00 31.43 ATOM 120 HA HIS 8 9.347 -16.185 -3.779 1.00 51.51 ATOM 121 CB HIS 8 7.419 -15.803 -2.939 1.00 74.30 ATOM 122 HB1 HIS 8 6.674 -15.019 -2.962 1.00 37.95 ATOM 123 HB2 HIS 8 7.658 -16.029 -1.910 1.00 54.43 ATOM 124 CG HIS 8 6.817 -17.035 -3.543 1.00 24.12 ATOM 125 ND1 HIS 8 5.621 -17.575 -3.118 1.00 45.54 ATOM 126 HD1 HIS 8 5.056 -17.222 -2.399 1.00 73.53 ATOM 127 CD2 HIS 8 7.253 -17.833 -4.546 1.00 4.33 ATOM 128 HD2 HIS 8 8.164 -17.708 -5.114 1.00 4.25 ATOM 129 CE1 HIS 8 5.349 -18.652 -3.833 1.00 14.40 ATOM 130 HE1 HIS 8 4.477 -19.280 -3.723 1.00 3.42 ATOM 131 NE2 HIS 8 6.323 -18.830 -4.707 1.00 1.14 ATOM 132 HE2 HIS 8 6.324 -19.499 -5.423 1.00 37.95 ATOM 133 C HIS 8 8.341 -14.780 -5.027 1.00 22.12 ATOM 134 O HIS 8 7.169 -14.591 -5.353 1.00 44.10 ATOM 135 N SER 9 9.367 -14.523 -5.832 1.00 1.22 ATOM 136 HN SER 9 10.285 -14.712 -5.521 1.00 37.95 ATOM 137 CA SER 9 9.170 -13.988 -7.174 1.00 1.31 ATOM 138 HA SER 9 8.329 -13.304 -7.152 1.00 65.02 ATOM 139 CB SER 9 10.411 -13.215 -7.625 1.00 63.52 ATOM 140 HB1 SER 9 11.156 -13.896 -8.017 1.00 37.95 ATOM 141 HB2 SER 9 10.829 -12.685 -6.780 1.00 1.11 ATOM 142 OG SER 9 10.086 -12.268 -8.627 1.00 40.23 ATOM 143 HG SER 9 9.706 -11.484 -8.221 1.00 52.01 ATOM 144 C SER 9 8.865 -15.106 -8.165 1.00 72.44 ATOM 145 O SER 9 9.154 -16.276 -7.908 1.00 41.54 ATOM 146 N HIS 10 8.278 -14.739 -9.300 1.00 60.02 ATOM 147 HN HIS 10 8.098 -13.786 -9.461 1.00 37.95 ATOM 148 CA HIS 10 7.933 -15.711 -10.332 1.00 2.31 ATOM 149 HA HIS 10 8.553 -16.592 -10.207 1.00 70.23 ATOM 150 CB HIS 10 6.467 -16.124 -10.203 1.00 71.13 ATOM 151 HB1 HIS 10 6.270 -16.409 -9.180 1.00 37.95 ATOM 152 HB2 HIS 10 6.281 -16.969 -10.849 1.00 34.13 ATOM 153 CG HIS 10 5.504 -15.039 -10.574 1.00 12.54 ATOM 154 ND1 HIS 10 4.396 -15.253 -11.366 1.00 60.32 ATOM 155 HD1 HIS 10 4.115 -16.117 -11.727 1.00 44.44 ATOM 156 CD2 HIS 10 5.486 -13.723 -10.254 1.00 23.43 ATOM 157 HD2 HIS 10 6.190 -13.204 -9.626 1.00 63.45 ATOM 158 CE1 HIS 10 3.740 -14.117 -11.519 1.00 71.02 ATOM 159 HE1 HIS 10 2.826 -13.986 -12.078 1.00 73.15 ATOM 160 NE2 HIS 10 4.380 -13.173 -10.854 1.00 25.04 ATOM 161 HE2 HIS 10 4.161 -12.218 -10.878 1.00 37.95 ATOM 162 C HIS 10 8.193 -15.141 -11.723 1.00 63.13 ATOM 163 O HIS 10 8.151 -13.928 -11.925 1.00 52.05 ATOM 164 N MET 11 8.463 -16.025 -12.678 1.00 62.13 ATOM 165 HN MET 11 8.455 -16.985 -12.465 1.00 37.95 ATOM 166 CA MET 11 8.730 -15.609 -14.051 1.00 33.55 ATOM 167 HA MET 11 8.697 -14.526 -14.108 1.00 35.21 ATOM 168 CB MET 11 10.124 -16.066 -14.483 1.00 24.34 ATOM 169 HB1 MET 11 10.854 -15.425 -14.010 1.00 37.95 ATOM 170 HB2 MET 11 10.216 -15.957 -15.558 1.00 5.21 ATOM 171 CG MET 11 10.440 -17.502 -14.097 1.00 61.42 ATOM 172 HG1 MET 11 9.579 -18.125 -14.304 1.00 37.95 ATOM 173 HG2 MET 11 10.657 -17.534 -13.040 1.00 62.31 ATOM 174 SD MET 11 11.857 -18.166 -14.993 1.00 22.43 ATOM 175 CE MET 11 11.086 -18.655 -16.534 1.00 14.35 ATOM 176 HE1 MET 11 10.651 -17.788 -17.010 1.00 61.43 ATOM 177 HE2 MET 11 10.313 -19.382 -16.335 1.00 15.04 ATOM 178 HE3 MET 11 11.828 -19.089 -17.187 1.00 71.33 ATOM 179 C MET 11 7.680 -16.173 -15.003 1.00 13.22 ATOM 180 O MET 11 7.220 -17.304 -14.838 1.00 1.33 ATOM 181 N LEU 12 7.304 -15.378 -15.999 1.00 32.22 ATOM 182 HN LEU 12 7.697 -14.478 -16.081 1.00 37.95 ATOM 183 CA LEU 12 6.307 -15.798 -16.978 1.00 1.11 ATOM 184 HA LEU 12 6.111 -16.857 -16.861 1.00 30.33 ATOM 185 CB LEU 12 4.998 -15.037 -16.761 1.00 2.40 ATOM 186 HB1 LEU 12 4.207 -15.567 -17.274 1.00 37.95 ATOM 187 HB2 LEU 12 5.099 -14.057 -17.219 1.00 2.21 ATOM 188 CG LEU 12 4.573 -14.833 -15.306 1.00 44.03 ATOM 189 HG LEU 12 5.409 -14.465 -14.731 1.00 63.11 ATOM 190 CD1 LEU 12 3.467 -13.793 -15.214 1.00 25.13 ATOM 191 HD11 LEU 12 2.600 -14.133 -15.764 1.00 41.44 ATOM 192 HD12 LEU 12 3.813 -12.858 -15.633 1.00 24.21 ATOM 193 HD13 LEU 12 3.198 -13.638 -14.182 1.00 62.14 ATOM 194 CD2 LEU 12 4.122 -16.150 -14.693 1.00 72.51 ATOM 195 HD21 LEU 12 4.931 -16.858 -14.703 1.00 14.21 ATOM 196 HD22 LEU 12 3.295 -16.542 -15.266 1.00 30.31 ATOM 197 HD23 LEU 12 3.799 -15.988 -13.685 1.00 22.40 ATOM 198 C LEU 12 6.811 -15.571 -18.400 1.00 2.25 ATOM 199 O LEU 12 7.985 -15.264 -18.613 1.00 14.21 ATOM 200 N THR 13 5.916 -15.722 -19.371 1.00 12.43 ATOM 201 HN THR 13 4.994 -15.988 -19.157 1.00 37.95 ATOM 202 CA THR 13 6.269 -15.532 -20.772 1.00 32.21 ATOM 203 HA THR 13 7.332 -15.710 -20.898 1.00 52.22 ATOM 204 CB THR 13 5.518 -16.524 -21.680 1.00 35.34 ATOM 205 HB THR 13 5.855 -16.404 -22.699 1.00 72.32 ATOM 206 OG1 THR 13 4.109 -16.272 -21.621 1.00 21.44 ATOM 207 HG1 THR 13 3.689 -16.592 -22.424 1.00 11.35 ATOM 208 CG2 THR 13 5.799 -17.960 -21.262 1.00 40.30 ATOM 209 HG21 THR 13 5.442 -18.098 -20.266 1.00 0.05 ATOM 210 HG22 THR 13 6.862 -18.154 -21.302 1.00 61.43 ATOM 211 HG23 THR 13 5.283 -18.624 -21.931 1.00 23.31 ATOM 212 C THR 13 5.962 -14.111 -21.229 1.00 1.42 ATOM 213 O THR 13 5.573 -13.260 -20.428 1.00 74.22 ATOM 214 N LYS 14 6.139 -13.858 -22.521 1.00 64.32 ATOM 215 HN LYS 14 6.450 -14.571 -23.113 1.00 37.95 ATOM 216 CA LYS 14 5.880 -12.540 -23.087 1.00 12.45 ATOM 217 HA LYS 14 6.516 -11.825 -22.580 1.00 41.04 ATOM 218 CB LYS 14 6.204 -12.530 -24.582 1.00 63.21 ATOM 219 HB1 LYS 14 5.720 -11.678 -25.047 1.00 37.95 ATOM 220 HB2 LYS 14 5.817 -13.433 -25.035 1.00 13.40 ATOM 221 CG LYS 14 7.690 -12.428 -24.881 1.00 71.25 ATOM 222 HG1 LYS 14 8.122 -11.637 -24.281 1.00 37.95 ATOM 223 HG2 LYS 14 7.807 -12.185 -25.929 1.00 31.33 ATOM 224 CD LYS 14 8.411 -13.731 -24.578 1.00 74.12 ATOM 225 HD1 LYS 14 7.769 -14.569 -24.820 1.00 37.95 ATOM 226 HD2 LYS 14 8.660 -13.759 -23.529 1.00 33.34 ATOM 227 CE LYS 14 9.691 -13.861 -25.389 1.00 20.53 ATOM 228 HE1 LYS 14 9.461 -13.741 -26.439 1.00 37.95 ATOM 229 HE2 LYS 14 10.104 -14.845 -25.225 1.00 44.34 ATOM 230 NZ LYS 14 10.704 -12.844 -24.993 1.00 20.21 ATOM 231 HZ1 LYS 14 11.582 -12.993 -25.530 1.00 32.21 ATOM 232 HZ2 LYS 14 10.919 -12.921 -23.977 1.00 71.22 ATOM 233 HZ3 LYS 14 10.353 -11.884 -25.191 1.00 71.01 ATOM 234 C LYS 14 4.427 -12.131 -22.868 1.00 54.53 ATOM 235 O LYS 14 4.105 -10.942 -22.826 1.00 62.44 ATOM 236 N HIS 15 3.552 -13.122 -22.728 1.00 41.24 ATOM 237 HN HIS 15 3.846 -14.057 -22.803 1.00 37.95 ATOM 238 CA HIS 15 2.133 -12.864 -22.512 1.00 72.31 ATOM 239 HA HIS 15 1.872 -11.923 -22.987 1.00 53.24 ATOM 240 CB HIS 15 1.290 -13.981 -23.130 1.00 44.40 ATOM 241 HB1 HIS 15 0.310 -14.001 -22.666 1.00 37.95 ATOM 242 HB2 HIS 15 1.776 -14.931 -22.962 1.00 62.13 ATOM 243 CG HIS 15 1.084 -13.828 -24.606 1.00 32.24 ATOM 244 ND1 HIS 15 -0.152 -13.934 -25.207 1.00 54.13 ATOM 245 HD1 HIS 15 -0.998 -14.115 -24.747 1.00 44.53 ATOM 246 CD2 HIS 15 1.965 -13.575 -25.601 1.00 52.14 ATOM 247 HD2 HIS 15 3.031 -13.432 -25.492 1.00 41.11 ATOM 248 CE1 HIS 15 -0.023 -13.754 -26.510 1.00 4.14 ATOM 249 HE1 HIS 15 -0.824 -13.781 -27.234 1.00 32.34 ATOM 250 NE2 HIS 15 1.253 -13.534 -26.775 1.00 15.23 ATOM 251 HE2 HIS 15 1.612 -13.275 -27.649 1.00 37.95 ATOM 252 C HIS 15 1.824 -12.742 -21.023 1.00 75.30 ATOM 253 O HIS 15 1.259 -11.745 -20.576 1.00 35.21 ATOM 254 N GLY 16 2.198 -13.765 -20.260 1.00 14.01 ATOM 255 HN GLY 16 2.685 -14.520 -20.659 1.00 37.95 ATOM 256 CA GLY 16 1.951 -13.753 -18.830 1.00 11.42 ATOM 257 HA1 GLY 16 1.452 -12.839 -18.532 1.00 37.95 ATOM 258 HA2 GLY 16 2.902 -13.802 -18.321 1.00 31.41 ATOM 259 C GLY 16 1.108 -14.928 -18.377 1.00 14.12 ATOM 260 O GLY 16 0.597 -14.941 -17.256 1.00 42.44 ATOM 261 N LYS 17 0.958 -15.918 -19.250 1.00 25.43 ATOM 262 HN LYS 17 1.392 -15.883 -20.125 1.00 37.95 ATOM 263 CA LYS 17 0.171 -17.104 -18.935 1.00 33.31 ATOM 264 HA LYS 17 -0.398 -16.928 -18.030 1.00 1.22 ATOM 265 CB LYS 17 -0.814 -17.403 -20.068 1.00 21.24 ATOM 266 HB1 LYS 17 -1.397 -18.280 -19.811 1.00 37.95 ATOM 267 HB2 LYS 17 -0.250 -17.614 -20.968 1.00 71.01 ATOM 268 CG LYS 17 -1.756 -16.252 -20.374 1.00 71.01 ATOM 269 HG1 LYS 17 -1.938 -16.232 -21.439 1.00 37.95 ATOM 270 HG2 LYS 17 -1.301 -15.314 -20.082 1.00 14.15 ATOM 271 CD LYS 17 -3.074 -16.397 -19.631 1.00 44.21 ATOM 272 HD1 LYS 17 -3.435 -15.408 -19.385 1.00 37.95 ATOM 273 HD2 LYS 17 -2.928 -16.959 -18.717 1.00 11.24 ATOM 274 CE LYS 17 -4.119 -17.102 -20.482 1.00 22.12 ATOM 275 HE1 LYS 17 -4.002 -18.168 -20.360 1.00 37.95 ATOM 276 HE2 LYS 17 -3.982 -16.843 -21.524 1.00 22.54 ATOM 277 NZ LYS 17 -5.504 -16.723 -20.086 1.00 65.05 ATOM 278 HZ1 LYS 17 -5.645 -15.697 -20.198 1.00 11.22 ATOM 279 HZ2 LYS 17 -5.680 -16.980 -19.093 1.00 62.02 ATOM 280 HZ3 LYS 17 -6.193 -17.221 -20.685 1.00 43.31 ATOM 281 C LYS 17 1.074 -18.311 -18.700 1.00 51.04 ATOM 282 O LYS 17 0.644 -19.455 -18.839 1.00 24.41 ATOM 283 N ASN 18 2.326 -18.046 -18.343 1.00 65.44 ATOM 284 HN ASN 18 2.629 -17.124 -18.225 1.00 37.95 ATOM 285 CA ASN 18 3.290 -19.111 -18.089 1.00 32.43 ATOM 286 HA ASN 18 4.184 -18.622 -17.734 1.00 73.40 ATOM 287 CB ASN 18 2.758 -20.062 -17.014 1.00 61.12 ATOM 288 HB1 ASN 18 2.457 -21.004 -17.457 1.00 37.95 ATOM 289 HB2 ASN 18 1.899 -19.621 -16.526 1.00 15.41 ATOM 290 CG ASN 18 3.788 -20.355 -15.941 1.00 23.24 ATOM 291 OD1 ASN 18 4.398 -21.425 -15.925 1.00 51.31 ATOM 292 ND2 ASN 18 3.987 -19.404 -15.036 1.00 11.41 ATOM 293 HD21 ASN 18 3.464 -18.588 -15.098 1.00 21.35 ATOM 294 HD22 ASN 18 4.657 -19.565 -14.339 1.00 12.51 ATOM 295 C ASN 18 3.592 -19.888 -19.366 1.00 62.45 ATOM 296 O ASN 18 2.722 -20.108 -20.210 1.00 4.32 ATOM 297 N PRO 19 4.855 -20.316 -19.514 1.00 50.21 ATOM 298 CA PRO 19 5.302 -21.076 -20.685 1.00 55.13 ATOM 299 HA PRO 19 5.058 -20.578 -21.606 1.00 2.42 ATOM 300 CB PRO 19 6.822 -21.132 -20.513 1.00 54.24 ATOM 301 HB1 PRO 19 7.263 -20.311 -21.053 1.00 37.95 ATOM 302 HB2 PRO 19 7.221 -22.067 -20.888 1.00 1.11 ATOM 303 CG PRO 19 7.042 -20.988 -19.047 1.00 65.22 ATOM 304 HG1 PRO 19 8.006 -20.544 -18.861 1.00 37.95 ATOM 305 HG2 PRO 19 6.963 -21.948 -18.581 1.00 44.43 ATOM 306 CD PRO 19 5.944 -20.090 -18.549 1.00 31.41 ATOM 307 HD1 PRO 19 6.266 -19.061 -18.559 1.00 37.95 ATOM 308 HD2 PRO 19 5.668 -20.382 -17.567 1.00 54.20 ATOM 309 C PRO 19 4.717 -22.484 -20.720 1.00 2.02 ATOM 310 O PRO 19 4.402 -23.010 -21.787 1.00 70.22 ATOM 311 N VAL 20 4.575 -23.090 -19.545 1.00 53.41 ATOM 312 HN VAL 20 4.818 -22.605 -18.731 1.00 37.95 ATOM 313 CA VAL 20 4.026 -24.437 -19.441 1.00 45.40 ATOM 314 HA VAL 20 4.707 -25.112 -19.945 1.00 54.23 ATOM 315 CB VAL 20 3.900 -24.879 -17.971 1.00 53.11 ATOM 316 HB VAL 20 3.123 -24.294 -17.495 1.00 11.32 ATOM 317 CG1 VAL 20 3.506 -26.346 -17.887 1.00 11.33 ATOM 318 HG11 VAL 20 3.428 -26.639 -16.848 1.00 3.21 ATOM 319 HG12 VAL 20 4.256 -26.950 -18.368 1.00 61.30 ATOM 320 HG13 VAL 20 2.553 -26.505 -18.368 1.00 4.24 ATOM 321 CG2 VAL 20 5.200 -24.624 -17.224 1.00 42.33 ATOM 322 HG21 VAL 20 5.145 -25.064 -16.237 1.00 1.42 ATOM 323 HG22 VAL 20 5.363 -23.564 -17.120 1.00 63.51 ATOM 324 HG23 VAL 20 6.027 -25.066 -17.763 1.00 4.41 ATOM 325 C VAL 20 2.658 -24.526 -20.107 1.00 40.00 ATOM 326 O VAL 20 2.455 -25.316 -21.028 1.00 64.42 ATOM 327 N MET 21 1.722 -23.710 -19.635 1.00 12.43 ATOM 328 HN MET 21 1.961 -23.078 -18.917 1.00 37.95 ATOM 329 CA MET 21 0.372 -23.695 -20.186 1.00 72.42 ATOM 330 HA MET 21 -0.033 -24.696 -20.115 1.00 43.44 ATOM 331 CB MET 21 -0.520 -22.747 -19.383 1.00 34.34 ATOM 332 HB1 MET 21 -1.539 -22.868 -19.728 1.00 37.95 ATOM 333 HB2 MET 21 -0.205 -21.726 -19.562 1.00 73.52 ATOM 334 CG MET 21 -0.476 -22.995 -17.884 1.00 20.34 ATOM 335 HG1 MET 21 0.431 -22.566 -17.486 1.00 37.95 ATOM 336 HG2 MET 21 -0.476 -24.062 -17.701 1.00 43.21 ATOM 337 SD MET 21 -1.886 -22.277 -17.019 1.00 24.04 ATOM 338 CE MET 21 -1.279 -20.623 -16.697 1.00 44.25 ATOM 339 HE1 MET 21 -0.237 -20.667 -16.417 1.00 30.11 ATOM 340 HE2 MET 21 -1.848 -20.183 -15.891 1.00 55.44 ATOM 341 HE3 MET 21 -1.391 -20.020 -17.585 1.00 63.52 ATOM 342 C MET 21 0.388 -23.276 -21.653 1.00 21.32 ATOM 343 O MET 21 -0.283 -23.882 -22.488 1.00 31.05 ATOM 344 N GLU 22 1.158 -22.237 -21.958 1.00 44.23 ATOM 345 HN GLU 22 1.663 -21.780 -21.243 1.00 37.95 ATOM 346 CA GLU 22 1.260 -21.737 -23.325 1.00 32.45 ATOM 347 HA GLU 22 0.302 -21.318 -23.598 1.00 54.15 ATOM 348 CB GLU 22 2.324 -20.642 -23.413 1.00 44.10 ATOM 349 HB1 GLU 22 3.248 -21.021 -23.001 1.00 37.95 ATOM 350 HB2 GLU 22 1.995 -19.802 -22.815 1.00 64.54 ATOM 351 CG GLU 22 2.593 -20.167 -24.831 1.00 72.22 ATOM 352 HG1 GLU 22 1.678 -20.222 -25.409 1.00 37.95 ATOM 353 HG2 GLU 22 3.327 -20.813 -25.270 1.00 52.24 ATOM 354 CD GLU 22 3.106 -18.741 -24.882 1.00 33.11 ATOM 355 OE1 GLU 22 2.501 -17.918 -25.599 1.00 52.45 ATOM 356 OE2 GLU 22 4.113 -18.449 -24.203 1.00 75.00 ATOM 357 C GLU 22 1.595 -22.868 -24.293 1.00 45.54 ATOM 358 O GLU 22 0.819 -23.176 -25.198 1.00 72.32 ATOM 359 N LEU 23 2.758 -23.481 -24.098 1.00 15.33 ATOM 360 HN LEU 23 3.337 -23.194 -23.351 1.00 37.95 ATOM 361 CA LEU 23 3.198 -24.577 -24.954 1.00 11.13 ATOM 362 HA LEU 23 3.303 -24.194 -25.959 1.00 33.44 ATOM 363 CB LEU 23 4.553 -25.106 -24.481 1.00 61.24 ATOM 364 HB1 LEU 23 4.419 -25.486 -23.474 1.00 37.95 ATOM 365 HB2 LEU 23 5.238 -24.275 -24.428 1.00 0.30 ATOM 366 CG LEU 23 5.176 -26.212 -25.334 1.00 31.20 ATOM 367 HG LEU 23 4.426 -26.942 -25.592 1.00 0.21 ATOM 368 CD1 LEU 23 5.727 -25.640 -26.631 1.00 24.14 ATOM 369 HD11 LEU 23 5.989 -26.451 -27.294 1.00 63.54 ATOM 370 HD12 LEU 23 6.607 -25.049 -26.431 1.00 45.24 ATOM 371 HD13 LEU 23 4.979 -25.022 -27.105 1.00 73.44 ATOM 372 CD2 LEU 23 6.270 -26.931 -24.558 1.00 72.53 ATOM 373 HD21 LEU 23 6.736 -27.652 -25.178 1.00 5.20 ATOM 374 HD22 LEU 23 5.841 -27.422 -23.698 1.00 3.21 ATOM 375 HD23 LEU 23 7.011 -26.216 -24.230 1.00 34.40 ATOM 376 C LEU 23 2.173 -25.706 -24.963 1.00 31.55 ATOM 377 O LEU 23 2.026 -26.416 -25.956 1.00 72.44 ATOM 378 N ASN 24 1.465 -25.865 -23.849 1.00 23.22 ATOM 379 HN ASN 24 1.646 -25.290 -23.072 1.00 37.95 ATOM 380 CA ASN 24 0.452 -26.908 -23.729 1.00 3.52 ATOM 381 HA ASN 24 0.925 -27.855 -23.962 1.00 0.23 ATOM 382 CB ASN 24 -0.102 -26.947 -22.303 1.00 74.05 ATOM 383 HB1 ASN 24 -1.143 -26.648 -22.301 1.00 37.95 ATOM 384 HB2 ASN 24 0.443 -26.263 -21.678 1.00 72.34 ATOM 385 CG ASN 24 -0.021 -28.331 -21.690 1.00 33.43 ATOM 386 OD1 ASN 24 -0.386 -29.324 -22.319 1.00 75.25 ATOM 387 ND2 ASN 24 0.459 -28.403 -20.454 1.00 30.23 ATOM 388 HD21 ASN 24 0.736 -27.578 -19.996 1.00 43.30 ATOM 389 HD22 ASN 24 0.519 -29.290 -20.041 1.00 50.10 ATOM 390 C ASN 24 -0.683 -26.680 -24.722 1.00 50.42 ATOM 391 O ASN 24 -1.322 -27.628 -25.177 1.00 12.33 ATOM 392 N GLU 25 -0.927 -25.416 -25.054 1.00 43.34 ATOM 393 HN GLU 25 -0.396 -24.692 -24.657 1.00 37.95 ATOM 394 CA GLU 25 -1.985 -25.064 -25.994 1.00 10.12 ATOM 395 HA GLU 25 -2.760 -25.821 -25.950 1.00 3.34 ATOM 396 CB GLU 25 -2.605 -23.717 -25.617 1.00 1.31 ATOM 397 HB1 GLU 25 -3.340 -23.455 -26.370 1.00 37.95 ATOM 398 HB2 GLU 25 -1.827 -22.966 -25.609 1.00 21.43 ATOM 399 CG GLU 25 -3.278 -23.716 -24.255 1.00 33.22 ATOM 400 HG1 GLU 25 -2.544 -23.454 -23.507 1.00 37.95 ATOM 401 HG2 GLU 25 -3.669 -24.703 -24.043 1.00 14.31 ATOM 402 CD GLU 25 -4.424 -22.727 -24.171 1.00 12.31 ATOM 403 OE1 GLU 25 -5.282 -22.888 -23.278 1.00 34.21 ATOM 404 OE2 GLU 25 -4.463 -21.792 -24.998 1.00 13.35 ATOM 405 C GLU 25 -1.449 -25.008 -27.421 1.00 41.14 ATOM 406 O GLU 25 -2.173 -25.278 -28.380 1.00 42.10 ATOM 407 N LYS 26 -0.175 -24.655 -27.555 1.00 50.32 ATOM 408 HN LYS 26 0.360 -24.439 -26.756 1.00 37.95 ATOM 409 CA LYS 26 0.461 -24.563 -28.864 1.00 73.22 ATOM 410 HA LYS 26 -0.198 -24.017 -29.525 1.00 41.32 ATOM 411 CB LYS 26 1.789 -23.811 -28.757 1.00 40.24 ATOM 412 HB1 LYS 26 2.259 -23.777 -29.727 1.00 37.95 ATOM 413 HB2 LYS 26 2.436 -24.351 -28.079 1.00 31.00 ATOM 414 CG LYS 26 1.645 -22.394 -28.229 1.00 52.14 ATOM 415 HG1 LYS 26 2.620 -22.029 -27.939 1.00 37.95 ATOM 416 HG2 LYS 26 1.003 -22.401 -27.365 1.00 4.34 ATOM 417 CD LYS 26 1.030 -21.472 -29.268 1.00 52.55 ATOM 418 HD1 LYS 26 0.429 -20.736 -28.753 1.00 37.95 ATOM 419 HD2 LYS 26 0.397 -22.029 -29.945 1.00 41.42 ATOM 420 CE LYS 26 2.098 -20.742 -30.068 1.00 2.51 ATOM 421 HE1 LYS 26 3.005 -20.644 -29.486 1.00 37.95 ATOM 422 HE2 LYS 26 1.727 -19.756 -30.304 1.00 10.32 ATOM 423 NZ LYS 26 2.413 -21.443 -31.343 1.00 53.13 ATOM 424 HZ1 LYS 26 1.566 -21.492 -31.947 1.00 24.42 ATOM 425 HZ2 LYS 26 2.742 -22.401 -31.152 1.00 24.21 ATOM 426 HZ3 LYS 26 3.157 -20.929 -31.855 1.00 52.20 ATOM 427 C LYS 26 0.696 -25.950 -29.453 1.00 20.50 ATOM 428 O LYS 26 0.449 -26.183 -30.636 1.00 53.24 ATOM 429 N ARG 27 1.174 -26.869 -28.620 1.00 14.25 ATOM 430 HN ARG 27 1.377 -26.627 -27.687 1.00 37.95 ATOM 431 CA ARG 27 1.442 -28.233 -29.058 1.00 73.11 ATOM 432 HA ARG 27 0.922 -28.406 -29.996 1.00 33.42 ATOM 433 CB ARG 27 2.942 -28.435 -29.278 1.00 21.41 ATOM 434 HB1 ARG 27 3.221 -29.452 -29.020 1.00 37.95 ATOM 435 HB2 ARG 27 3.485 -27.761 -28.628 1.00 43.14 ATOM 436 CG ARG 27 3.391 -28.164 -30.705 1.00 34.34 ATOM 437 HG1 ARG 27 4.457 -27.985 -30.705 1.00 37.95 ATOM 438 HG2 ARG 27 2.877 -27.292 -31.080 1.00 75.33 ATOM 439 CD ARG 27 3.078 -29.338 -31.619 1.00 73.05 ATOM 440 HD1 ARG 27 2.083 -29.187 -32.012 1.00 37.95 ATOM 441 HD2 ARG 27 3.107 -30.263 -31.055 1.00 44.44 ATOM 442 NE ARG 27 4.028 -29.439 -32.724 1.00 73.41 ATOM 443 HE ARG 27 4.904 -28.999 -32.621 1.00 72.01 ATOM 444 CZ ARG 27 3.777 -30.096 -33.851 1.00 71.21 ATOM 445 NH1 ARG 27 2.612 -30.706 -34.022 1.00 20.13 ATOM 446 HH11 ARG 27 1.905 -30.692 -33.320 1.00 22.32 ATOM 447 HH12 ARG 27 2.433 -31.195 -34.878 1.00 2.11 ATOM 448 NH2 ARG 27 4.692 -30.143 -34.811 1.00 21.43 ATOM 449 HH21 ARG 27 5.574 -29.684 -34.689 1.00 3.42 ATOM 450 HH22 ARG 27 4.505 -30.638 -35.662 1.00 55.13 ATOM 451 C ARG 27 0.925 -29.244 -28.038 1.00 4.41 ATOM 452 O ARG 27 1.281 -29.189 -26.861 1.00 11.45 ATOM 453 N ARG 28 0.085 -30.165 -28.498 1.00 41.41 ATOM 454 HN ARG 28 -0.121 -30.194 -29.460 1.00 37.95 ATOM 455 CA ARG 28 -0.481 -31.186 -27.626 1.00 34.05 ATOM 456 HA ARG 28 -0.516 -30.802 -26.612 1.00 2.35 ATOM 457 CB ARG 28 -1.909 -31.523 -28.059 1.00 71.04 ATOM 458 HB1 ARG 28 -2.352 -32.155 -27.302 1.00 37.95 ATOM 459 HB2 ARG 28 -1.883 -32.075 -28.991 1.00 74.52 ATOM 460 CG ARG 28 -2.800 -30.303 -28.223 1.00 12.53 ATOM 461 HG1 ARG 28 -2.505 -29.536 -27.517 1.00 37.95 ATOM 462 HG2 ARG 28 -3.820 -30.598 -28.020 1.00 3.14 ATOM 463 CD ARG 28 -2.718 -29.737 -29.632 1.00 24.11 ATOM 464 HD1 ARG 28 -2.429 -30.518 -30.327 1.00 37.95 ATOM 465 HD2 ARG 28 -1.973 -28.956 -29.646 1.00 22.32 ATOM 466 NE ARG 28 -3.992 -29.174 -30.071 1.00 65.13 ATOM 467 HE ARG 28 -4.737 -29.156 -29.425 1.00 33.21 ATOM 468 CZ ARG 28 -4.198 -28.685 -31.289 1.00 60.20 ATOM 469 NH1 ARG 28 -3.220 -28.691 -32.184 1.00 4.52 ATOM 470 HH11 ARG 28 -2.317 -29.058 -31.966 1.00 72.01 ATOM 471 HH12 ARG 28 -3.385 -28.321 -33.101 1.00 50.25 ATOM 472 NH2 ARG 28 -5.385 -28.190 -31.614 1.00 13.11 ATOM 473 HH21 ARG 28 -6.129 -28.183 -30.943 1.00 74.41 ATOM 474 HH22 ARG 28 -5.543 -27.820 -32.532 1.00 63.13 ATOM 475 C ARG 28 0.376 -32.448 -27.637 1.00 45.14 ATOM 476 O ARG 28 1.164 -32.667 -28.557 1.00 11.11 ATOM 477 N GLY 29 0.218 -33.275 -26.608 1.00 71.04 ATOM 478 HN GLY 29 -0.424 -33.058 -25.895 1.00 37.95 ATOM 479 CA GLY 29 0.985 -34.504 -26.520 1.00 14.05 ATOM 480 HA1 GLY 29 1.178 -34.895 -27.512 1.00 37.95 ATOM 481 HA2 GLY 29 0.402 -35.231 -25.973 1.00 30.33 ATOM 482 C GLY 29 2.306 -34.312 -25.803 1.00 23.24 ATOM 483 O GLY 29 3.296 -34.972 -26.122 1.00 30.41 ATOM 484 N LEU 30 2.325 -33.405 -24.832 1.00 71.31 ATOM 485 HN LEU 30 1.499 -32.924 -24.591 1.00 37.95 ATOM 486 CA LEU 30 3.536 -33.127 -24.068 1.00 42.33 ATOM 487 HA LEU 30 4.398 -33.416 -24.654 1.00 44.01 ATOM 488 CB LEU 30 3.640 -31.630 -23.768 1.00 65.50 ATOM 489 HB1 LEU 30 4.672 -31.412 -23.530 1.00 37.95 ATOM 490 HB2 LEU 30 3.036 -31.411 -22.893 1.00 24.23 ATOM 491 CG LEU 30 3.195 -30.689 -24.887 1.00 53.40 ATOM 492 HG LEU 30 2.149 -30.857 -25.098 1.00 20.12 ATOM 493 CD1 LEU 30 3.355 -29.238 -24.459 1.00 71.03 ATOM 494 HD11 LEU 30 4.395 -29.034 -24.242 1.00 24.02 ATOM 495 HD12 LEU 30 2.762 -29.054 -23.574 1.00 20.23 ATOM 496 HD13 LEU 30 3.020 -28.586 -25.251 1.00 53.23 ATOM 497 CD2 LEU 30 3.983 -30.962 -26.160 1.00 2.54 ATOM 498 HD21 LEU 30 3.895 -30.127 -26.845 1.00 10.51 ATOM 499 HD22 LEU 30 3.587 -31.848 -26.634 1.00 21.22 ATOM 500 HD23 LEU 30 5.019 -31.127 -25.923 1.00 54.14 ATOM 501 C LEU 30 3.553 -33.921 -22.766 1.00 45.21 ATOM 502 O LEU 30 2.544 -34.503 -22.367 1.00 43.43 ATOM 503 N LYS 31 4.706 -33.939 -22.106 1.00 23.22 ATOM 504 HN LYS 31 5.487 -33.467 -22.482 1.00 37.95 ATOM 505 CA LYS 31 4.856 -34.658 -20.846 1.00 73.32 ATOM 506 HA LYS 31 3.898 -34.663 -20.336 1.00 53.01 ATOM 507 CB LYS 31 5.271 -36.108 -21.109 1.00 2.42 ATOM 508 HB1 LYS 31 6.110 -36.110 -21.790 1.00 37.95 ATOM 509 HB2 LYS 31 4.440 -36.617 -21.578 1.00 15.41 ATOM 510 CG LYS 31 5.676 -36.861 -19.854 1.00 20.22 ATOM 511 HG1 LYS 31 5.159 -36.451 -18.992 1.00 37.95 ATOM 512 HG2 LYS 31 6.739 -36.743 -19.717 1.00 64.44 ATOM 513 CD LYS 31 5.365 -38.344 -19.969 1.00 33.01 ATOM 514 HD1 LYS 31 6.059 -38.890 -19.346 1.00 37.95 ATOM 515 HD2 LYS 31 5.480 -38.668 -20.996 1.00 44.40 ATOM 516 CE LYS 31 3.948 -38.653 -19.511 1.00 32.33 ATOM 517 HE1 LYS 31 3.631 -39.572 -19.981 1.00 37.95 ATOM 518 HE2 LYS 31 3.282 -37.854 -19.813 1.00 61.02 ATOM 519 NZ LYS 31 3.867 -38.822 -18.033 1.00 61.54 ATOM 520 HZ1 LYS 31 4.477 -39.607 -17.724 1.00 10.23 ATOM 521 HZ2 LYS 31 2.888 -39.032 -17.753 1.00 30.11 ATOM 522 HZ3 LYS 31 4.171 -37.950 -17.552 1.00 44.12 ATOM 523 C LYS 31 5.885 -33.978 -19.950 1.00 3.31 ATOM 524 O LYS 31 7.045 -33.816 -20.332 1.00 32.34 ATOM 525 N TYR 32 5.455 -33.582 -18.757 1.00 50.02 ATOM 526 HN TYR 32 4.519 -33.746 -18.494 1.00 37.95 ATOM 527 CA TYR 32 6.340 -32.918 -17.807 1.00 75.01 ATOM 528 HA TYR 32 7.261 -32.641 -18.312 1.00 52.03 ATOM 529 CB TYR 32 5.688 -31.639 -17.279 1.00 75.01 ATOM 530 HB1 TYR 32 6.309 -31.223 -16.493 1.00 37.95 ATOM 531 HB2 TYR 32 4.720 -31.886 -16.863 1.00 42.24 ATOM 532 CG TYR 32 5.491 -30.578 -18.338 1.00 43.20 ATOM 533 CD1 TYR 32 6.409 -29.546 -18.494 1.00 30.12 ATOM 534 HD1 TYR 32 7.275 -29.506 -17.847 1.00 1.22 ATOM 535 CD2 TYR 32 4.388 -30.606 -19.182 1.00 40.10 ATOM 536 HD2 TYR 32 3.662 -31.400 -19.076 1.00 71.45 ATOM 537 CE1 TYR 32 6.234 -28.574 -19.459 1.00 54.34 ATOM 538 HE1 TYR 32 6.959 -27.782 -19.562 1.00 50.44 ATOM 539 CE2 TYR 32 4.205 -29.639 -20.151 1.00 43.23 ATOM 540 HE2 TYR 32 3.341 -29.680 -20.798 1.00 64.23 ATOM 541 CZ TYR 32 5.131 -28.625 -20.286 1.00 14.31 ATOM 542 OH TYR 32 4.951 -27.659 -21.249 1.00 44.43 ATOM 543 HH TYR 32 4.243 -27.063 -20.986 1.00 1.11 ATOM 544 C TYR 32 6.684 -33.844 -16.645 1.00 11.05 ATOM 545 O TYR 32 5.869 -34.062 -15.749 1.00 0.23 ATOM 546 N GLU 33 7.898 -34.385 -16.667 1.00 71.42 ATOM 547 HN GLU 33 8.513 -34.181 -17.408 1.00 37.95 ATOM 548 CA GLU 33 8.351 -35.288 -15.615 1.00 73.15 ATOM 549 HA GLU 33 7.576 -35.385 -14.864 1.00 5.45 ATOM 550 CB GLU 33 8.637 -36.676 -16.192 1.00 63.03 ATOM 551 HB1 GLU 33 7.791 -36.970 -16.796 1.00 37.95 ATOM 552 HB2 GLU 33 8.740 -37.373 -15.371 1.00 13.33 ATOM 553 CG GLU 33 9.905 -36.738 -17.028 1.00 53.11 ATOM 554 HG1 GLU 33 10.726 -37.026 -16.388 1.00 37.95 ATOM 555 HG2 GLU 33 10.108 -35.764 -17.455 1.00 21.12 ATOM 556 CD GLU 33 9.806 -37.737 -18.164 1.00 70.15 ATOM 557 OE1 GLU 33 10.809 -38.430 -18.435 1.00 31.12 ATOM 558 OE2 GLU 33 8.725 -37.826 -18.783 1.00 53.12 ATOM 559 C GLU 33 9.600 -34.742 -14.931 1.00 23.05 ATOM 560 O GLU 33 10.226 -33.798 -15.416 1.00 30.44 ATOM 561 N LEU 34 9.958 -35.341 -13.800 1.00 75.30 ATOM 562 HN LEU 34 9.427 -36.103 -13.466 1.00 37.95 ATOM 563 CA LEU 34 11.132 -34.916 -13.047 1.00 1.24 ATOM 564 HA LEU 34 11.297 -33.869 -13.229 1.00 60.04 ATOM 565 CB LEU 34 10.899 -35.111 -11.547 1.00 60.15 ATOM 566 HB1 LEU 34 10.662 -36.155 -11.385 1.00 37.95 ATOM 567 HB2 LEU 34 10.035 -34.523 -11.264 1.00 75.42 ATOM 568 CG LEU 34 12.064 -34.734 -10.632 1.00 44.33 ATOM 569 HG LEU 34 12.951 -35.268 -10.937 1.00 2.11 ATOM 570 CD1 LEU 34 12.359 -33.245 -10.730 1.00 3.02 ATOM 571 HD11 LEU 34 11.447 -32.680 -10.583 1.00 50.25 ATOM 572 HD12 LEU 34 12.765 -33.022 -11.705 1.00 41.11 ATOM 573 HD13 LEU 34 13.072 -32.965 -9.974 1.00 62.33 ATOM 574 CD2 LEU 34 11.761 -35.126 -9.194 1.00 24.24 ATOM 575 HD21 LEU 34 11.481 -36.171 -9.150 1.00 4.13 ATOM 576 HD22 LEU 34 10.952 -34.521 -8.807 1.00 55.41 ATOM 577 HD23 LEU 34 12.644 -34.974 -8.600 1.00 54.32 ATOM 578 C LEU 34 12.371 -35.690 -13.485 1.00 74.45 ATOM 579 O LEU 34 12.345 -36.918 -13.583 1.00 12.33 ATOM 580 N ILE 35 13.453 -34.966 -13.747 1.00 63.01 ATOM 581 HN ILE 35 13.423 -33.986 -13.643 1.00 37.95 ATOM 582 CA ILE 35 14.702 -35.586 -14.172 1.00 42.20 ATOM 583 HA ILE 35 14.499 -36.592 -14.521 1.00 0.15 ATOM 584 CB ILE 35 15.359 -34.798 -15.321 1.00 22.21 ATOM 585 HB ILE 35 15.761 -33.876 -14.931 1.00 44.41 ATOM 586 CG1 ILE 35 14.326 -34.473 -16.402 1.00 22.42 ATOM 587 HG11 ILE 35 14.816 -33.957 -17.215 1.00 37.95 ATOM 588 HG12 ILE 35 13.562 -33.831 -15.992 1.00 25.11 ATOM 589 CG2 ILE 35 16.519 -35.588 -15.909 1.00 71.01 ATOM 590 HG21 ILE 35 17.284 -35.730 -15.160 1.00 62.41 ATOM 591 HG22 ILE 35 16.942 -35.045 -16.744 1.00 74.44 ATOM 592 HG23 ILE 35 16.169 -36.552 -16.252 1.00 40.11 ATOM 593 CD1 ILE 35 13.644 -35.697 -16.973 1.00 2.11 ATOM 594 HD11 ILE 35 12.710 -35.405 -17.413 1.00 23.02 ATOM 595 HD12 ILE 35 13.445 -36.431 -16.212 1.00 2.52 ATOM 596 HD13 ILE 35 14.271 -36.133 -17.735 1.00 30.13 ATOM 597 C ILE 35 15.687 -35.689 -13.013 1.00 3.55 ATOM 598 O ILE 35 16.198 -36.768 -12.712 1.00 51.51 ATOM 599 N SER 36 15.949 -34.559 -12.363 1.00 55.52 ATOM 600 HN SER 36 15.518 -33.720 -12.651 1.00 37.95 ATOM 601 CA SER 36 16.874 -34.520 -11.237 1.00 61.41 ATOM 602 HA SER 36 17.068 -35.531 -10.899 1.00 33.31 ATOM 603 CB SER 36 18.201 -33.887 -11.661 1.00 72.54 ATOM 604 HB1 SER 36 18.013 -32.906 -12.066 1.00 37.95 ATOM 605 HB2 SER 36 18.668 -34.504 -12.415 1.00 13.23 ATOM 606 OG SER 36 19.083 -33.764 -10.559 1.00 35.01 ATOM 607 HG SER 36 19.510 -34.608 -10.391 1.00 3.53 ATOM 608 C SER 36 16.277 -33.742 -10.069 1.00 13.20 ATOM 609 O SER 36 15.328 -32.977 -10.240 1.00 41.01 ATOM 610 N GLU 37 16.840 -33.943 -8.882 1.00 31.42 ATOM 611 HN GLU 37 17.593 -34.577 -8.805 1.00 37.95 ATOM 612 CA GLU 37 16.362 -33.261 -7.685 1.00 25.12 ATOM 613 HA GLU 37 16.161 -32.226 -7.942 1.00 34.05 ATOM 614 CB GLU 37 15.062 -33.899 -7.191 1.00 64.52 ATOM 615 HB1 GLU 37 15.201 -34.968 -7.125 1.00 37.95 ATOM 616 HB2 GLU 37 14.288 -33.689 -7.916 1.00 73.22 ATOM 617 CG GLU 37 14.611 -33.389 -5.833 1.00 53.44 ATOM 618 HG1 GLU 37 14.649 -32.314 -5.822 1.00 37.95 ATOM 619 HG2 GLU 37 15.279 -33.776 -5.077 1.00 23.32 ATOM 620 CD GLU 37 13.206 -33.837 -5.479 1.00 41.12 ATOM 621 OE1 GLU 37 12.490 -34.314 -6.385 1.00 2.32 ATOM 622 OE2 GLU 37 12.823 -33.711 -4.298 1.00 13.04 ATOM 623 C GLU 37 17.414 -33.302 -6.579 1.00 53.14 ATOM 624 O GLU 37 17.651 -34.345 -5.970 1.00 33.34 ATOM 625 N THR 38 18.043 -32.158 -6.326 1.00 73.33 ATOM 626 HN THR 38 17.822 -31.355 -6.856 1.00 37.95 ATOM 627 CA THR 38 19.070 -32.062 -5.297 1.00 34.44 ATOM 628 HA THR 38 18.796 -32.708 -4.470 1.00 31.30 ATOM 629 CB THR 38 20.442 -32.520 -5.827 1.00 55.32 ATOM 630 HB THR 38 20.345 -33.527 -6.208 1.00 50.23 ATOM 631 OG1 THR 38 21.405 -32.510 -4.768 1.00 14.15 ATOM 632 HG1 THR 38 22.112 -33.129 -4.968 1.00 24.34 ATOM 633 CG2 THR 38 20.913 -31.617 -6.957 1.00 4.54 ATOM 634 HG21 THR 38 20.133 -31.511 -7.699 1.00 15.24 ATOM 635 HG22 THR 38 21.783 -32.057 -7.421 1.00 60.02 ATOM 636 HG23 THR 38 21.175 -30.645 -6.567 1.00 64.41 ATOM 637 C THR 38 19.190 -30.636 -4.771 1.00 62.54 ATOM 638 O THR 38 18.651 -29.700 -5.360 1.00 65.10 ATOM 639 N GLY 39 19.902 -30.478 -3.659 1.00 72.34 ATOM 640 HN GLY 39 20.323 -31.261 -3.232 1.00 37.95 ATOM 641 CA GLY 39 20.081 -29.163 -3.074 1.00 14.51 ATOM 642 HA1 GLY 39 19.273 -28.511 -3.366 1.00 37.95 ATOM 643 HA2 GLY 39 21.008 -28.746 -3.434 1.00 51.52 ATOM 644 C GLY 39 20.124 -29.203 -1.559 1.00 50.13 ATOM 645 O GLY 39 19.883 -30.245 -0.952 1.00 22.31 ATOM 646 N GLY 40 20.434 -28.064 -0.947 1.00 11.01 ATOM 647 HN GLY 40 20.619 -27.255 -1.475 1.00 37.95 ATOM 648 CA GLY 40 20.504 -27.996 0.501 1.00 3.30 ATOM 649 HA1 GLY 40 21.461 -27.574 0.773 1.00 37.95 ATOM 650 HA2 GLY 40 20.438 -28.988 0.933 1.00 73.21 ATOM 651 C GLY 40 19.402 -27.141 1.095 1.00 24.34 ATOM 652 O GLY 40 18.234 -27.529 1.087 1.00 40.35 ATOM 653 N SER 41 19.774 -25.976 1.615 1.00 4.22 ATOM 654 HN SER 41 20.725 -25.711 1.580 1.00 37.95 ATOM 655 CA SER 41 18.809 -25.066 2.222 1.00 63.51 ATOM 656 HA SER 41 18.133 -25.645 2.840 1.00 23.44 ATOM 657 CB SER 41 19.526 -24.046 3.108 1.00 32.04 ATOM 658 HB1 SER 41 18.812 -23.327 3.489 1.00 37.95 ATOM 659 HB2 SER 41 20.281 -23.532 2.534 1.00 21.02 ATOM 660 OG SER 41 20.155 -24.679 4.209 1.00 60.31 ATOM 661 HG SER 41 20.989 -25.065 3.928 1.00 23.13 ATOM 662 C SER 41 17.996 -24.345 1.152 1.00 74.01 ATOM 663 O SER 41 16.808 -24.616 0.971 1.00 50.23 ATOM 664 N HIS 42 18.644 -23.425 0.445 1.00 54.51 ATOM 665 HN HIS 42 19.600 -23.261 0.603 1.00 37.95 ATOM 666 CA HIS 42 17.981 -22.663 -0.608 1.00 63.24 ATOM 667 HA HIS 42 16.994 -23.073 -0.783 1.00 61.31 ATOM 668 CB HIS 42 17.829 -21.200 -0.191 1.00 21.33 ATOM 669 HB1 HIS 42 17.134 -21.146 0.634 1.00 37.95 ATOM 670 HB2 HIS 42 17.437 -20.621 -1.016 1.00 21.34 ATOM 671 CG HIS 42 19.112 -20.568 0.254 1.00 13.12 ATOM 672 ND1 HIS 42 19.549 -20.593 1.562 1.00 44.14 ATOM 673 HD1 HIS 42 19.082 -21.012 2.314 1.00 40.05 ATOM 674 CD2 HIS 42 20.054 -19.892 -0.444 1.00 1.34 ATOM 675 HD2 HIS 42 20.039 -19.682 -1.504 1.00 23.33 ATOM 676 CE1 HIS 42 20.705 -19.958 1.649 1.00 14.01 ATOM 677 HE1 HIS 42 21.284 -19.820 2.550 1.00 33.22 ATOM 678 NE2 HIS 42 21.033 -19.523 0.446 1.00 63.21 ATOM 679 HE2 HIS 42 21.796 -18.943 0.244 1.00 37.95 ATOM 680 C HIS 42 18.762 -22.753 -1.916 1.00 40.42 ATOM 681 O HIS 42 18.872 -21.772 -2.653 1.00 23.33 ATOM 682 N ASP 43 19.302 -23.933 -2.197 1.00 62.15 ATOM 683 HN ASP 43 19.183 -24.690 -1.579 1.00 37.95 ATOM 684 CA ASP 43 20.073 -24.151 -3.417 1.00 15.55 ATOM 685 HA ASP 43 19.940 -23.298 -4.074 1.00 43.33 ATOM 686 CB ASP 43 21.558 -24.300 -3.086 1.00 44.24 ATOM 687 HB1 ASP 43 21.777 -25.318 -2.790 1.00 37.95 ATOM 688 HB2 ASP 43 21.803 -23.640 -2.265 1.00 70.21 ATOM 689 CG ASP 43 22.451 -23.935 -4.256 1.00 71.04 ATOM 690 OD1 ASP 43 22.671 -24.802 -5.128 1.00 23.21 ATOM 691 OD2 ASP 43 22.928 -22.782 -4.301 1.00 63.20 ATOM 692 C ASP 43 19.577 -25.387 -4.159 1.00 71.52 ATOM 693 O ASP 43 20.369 -26.232 -4.578 1.00 75.15 ATOM 694 N LYS 44 18.262 -25.489 -4.318 1.00 14.33 ATOM 695 HN LYS 44 17.675 -24.771 -3.979 1.00 37.95 ATOM 696 CA LYS 44 17.659 -26.622 -5.010 1.00 12.34 ATOM 697 HA LYS 44 18.224 -27.501 -4.766 1.00 53.33 ATOM 698 CB LYS 44 16.218 -26.828 -4.535 1.00 45.11 ATOM 699 HB1 LYS 44 15.807 -27.671 -5.060 1.00 37.95 ATOM 700 HB2 LYS 44 15.638 -25.947 -4.774 1.00 70.44 ATOM 701 CG LYS 44 16.100 -27.081 -3.042 1.00 43.11 ATOM 702 HG1 LYS 44 15.115 -26.775 -2.716 1.00 37.95 ATOM 703 HG2 LYS 44 16.838 -26.491 -2.514 1.00 2.43 ATOM 704 CD LYS 44 16.323 -28.546 -2.705 1.00 41.25 ATOM 705 HD1 LYS 44 16.805 -28.603 -1.739 1.00 37.95 ATOM 706 HD2 LYS 44 16.966 -29.003 -3.448 1.00 23.33 ATOM 707 CE LYS 44 15.010 -29.312 -2.653 1.00 10.54 ATOM 708 HE1 LYS 44 15.069 -30.133 -3.352 1.00 37.95 ATOM 709 HE2 LYS 44 14.183 -28.671 -2.932 1.00 30.25 ATOM 710 NZ LYS 44 14.746 -29.867 -1.296 1.00 40.13 ATOM 711 HZ1 LYS 44 14.692 -29.099 -0.595 1.00 65.41 ATOM 712 HZ2 LYS 44 15.505 -30.523 -1.019 1.00 43.41 ATOM 713 HZ3 LYS 44 13.843 -30.384 -1.294 1.00 74.51 ATOM 714 C LYS 44 17.682 -26.412 -6.520 1.00 44.12 ATOM 715 O LYS 44 17.122 -25.441 -7.030 1.00 64.43 ATOM 716 N ARG 45 18.332 -27.328 -7.230 1.00 65.22 ATOM 717 HN ARG 45 18.756 -28.092 -6.775 1.00 37.95 ATOM 718 CA ARG 45 18.428 -27.243 -8.683 1.00 22.15 ATOM 719 HA ARG 45 18.007 -26.297 -9.011 1.00 71.02 ATOM 720 CB ARG 45 19.892 -27.298 -9.123 1.00 23.05 ATOM 721 HB1 ARG 45 20.256 -28.316 -9.056 1.00 37.95 ATOM 722 HB2 ARG 45 20.471 -26.682 -8.449 1.00 22.44 ATOM 723 CG ARG 45 20.123 -26.790 -10.536 1.00 51.52 ATOM 724 HG1 ARG 45 19.828 -25.752 -10.587 1.00 37.95 ATOM 725 HG2 ARG 45 19.523 -27.371 -11.221 1.00 4.54 ATOM 726 CD ARG 45 21.584 -26.909 -10.940 1.00 22.03 ATOM 727 HD1 ARG 45 21.673 -26.630 -11.981 1.00 37.95 ATOM 728 HD2 ARG 45 21.904 -27.935 -10.817 1.00 10.41 ATOM 729 NE ARG 45 22.446 -26.042 -10.140 1.00 34.32 ATOM 730 HE ARG 45 22.036 -25.538 -9.400 1.00 12.41 ATOM 731 CZ ARG 45 23.748 -25.896 -10.358 1.00 73.33 ATOM 732 NH1 ARG 45 24.335 -26.556 -11.347 1.00 43.21 ATOM 733 HH11 ARG 45 23.818 -27.170 -11.942 1.00 64.14 ATOM 734 HH12 ARG 45 25.318 -26.440 -11.505 1.00 72.23 ATOM 735 NH2 ARG 45 24.465 -25.089 -9.587 1.00 54.12 ATOM 736 HH21 ARG 45 24.027 -24.587 -8.838 1.00 0.10 ATOM 737 HH22 ARG 45 25.448 -24.978 -9.750 1.00 43.23 ATOM 738 C ARG 45 17.644 -28.371 -9.346 1.00 72.21 ATOM 739 O ARG 45 18.189 -29.438 -9.629 1.00 24.24 ATOM 740 N PHE 46 16.361 -28.128 -9.592 1.00 13.13 ATOM 741 HN PHE 46 15.982 -27.247 -9.356 1.00 37.95 ATOM 742 CA PHE 46 15.500 -29.123 -10.221 1.00 25.55 ATOM 743 HA PHE 46 15.774 -30.103 -9.839 1.00 11.12 ATOM 744 CB PHE 46 14.035 -28.852 -9.876 1.00 75.41 ATOM 745 HB1 PHE 46 13.396 -29.453 -10.517 1.00 37.95 ATOM 746 HB2 PHE 46 13.821 -27.807 -10.059 1.00 71.42 ATOM 747 CG PHE 46 13.687 -29.162 -8.448 1.00 3.31 ATOM 748 CD1 PHE 46 13.147 -30.390 -8.103 1.00 11.13 ATOM 749 HD1 PHE 46 12.974 -31.130 -8.869 1.00 21.11 ATOM 750 CD2 PHE 46 13.901 -28.224 -7.451 1.00 12.34 ATOM 751 HD2 PHE 46 14.323 -27.261 -7.704 1.00 0.43 ATOM 752 CE1 PHE 46 12.827 -30.678 -6.789 1.00 54.23 ATOM 753 HE1 PHE 46 12.398 -31.628 -6.539 1.00 44.04 ATOM 754 CE2 PHE 46 13.583 -28.506 -6.136 1.00 32.15 ATOM 755 HE2 PHE 46 13.745 -27.765 -5.369 1.00 5.55 ATOM 756 CZ PHE 46 13.044 -29.734 -5.805 1.00 31.14 ATOM 757 HZ PHE 46 12.795 -29.956 -4.778 1.00 21.21 ATOM 758 C PHE 46 15.687 -29.125 -11.735 1.00 50.40 ATOM 759 O PHE 46 16.037 -28.105 -12.330 1.00 25.25 ATOM 760 N VAL 47 15.450 -30.277 -12.354 1.00 25.35 ATOM 761 HN VAL 47 15.182 -31.067 -11.828 1.00 37.95 ATOM 762 CA VAL 47 15.591 -30.413 -13.798 1.00 44.44 ATOM 763 HA VAL 47 15.636 -29.420 -14.239 1.00 50.52 ATOM 764 CB VAL 47 16.891 -31.152 -14.169 1.00 35.53 ATOM 765 HB VAL 47 16.804 -32.187 -13.861 1.00 60.31 ATOM 766 CG1 VAL 47 17.111 -31.124 -15.673 1.00 43.34 ATOM 767 HG11 VAL 47 17.140 -30.100 -16.018 1.00 1.42 ATOM 768 HG12 VAL 47 16.312 -31.650 -16.173 1.00 55.44 ATOM 769 HG13 VAL 47 18.050 -31.606 -15.911 1.00 52.12 ATOM 770 CG2 VAL 47 18.077 -30.545 -13.436 1.00 11.52 ATOM 771 HG21 VAL 47 18.161 -29.496 -13.684 1.00 32.40 ATOM 772 HG22 VAL 47 18.985 -31.055 -13.730 1.00 14.02 ATOM 773 HG23 VAL 47 17.943 -30.653 -12.370 1.00 50.35 ATOM 774 C VAL 47 14.405 -31.159 -14.399 1.00 25.13 ATOM 775 O VAL 47 14.215 -32.348 -14.146 1.00 25.41 ATOM 776 N MET 48 13.610 -30.453 -15.196 1.00 5.44 ATOM 777 HN MET 48 13.811 -29.505 -15.374 1.00 37.95 ATOM 778 CA MET 48 12.443 -31.049 -15.834 1.00 20.40 ATOM 779 HA MET 48 12.259 -32.026 -15.401 1.00 21.32 ATOM 780 CB MET 48 11.205 -30.183 -15.594 1.00 43.23 ATOM 781 HB1 MET 48 10.327 -30.725 -15.918 1.00 37.95 ATOM 782 HB2 MET 48 11.291 -29.275 -16.180 1.00 22.33 ATOM 783 CG MET 48 11.020 -29.777 -14.141 1.00 53.23 ATOM 784 HG1 MET 48 10.253 -29.031 -14.085 1.00 37.95 ATOM 785 HG2 MET 48 11.938 -29.365 -13.772 1.00 74.02 ATOM 786 SD MET 48 10.567 -31.166 -13.084 1.00 52.34 ATOM 787 CE MET 48 8.823 -31.323 -13.461 1.00 72.10 ATOM 788 HE1 MET 48 8.257 -30.653 -12.835 1.00 0.31 ATOM 789 HE2 MET 48 8.508 -32.339 -13.271 1.00 62.34 ATOM 790 HE3 MET 48 8.651 -31.086 -14.500 1.00 61.53 ATOM 791 C MET 48 12.673 -31.225 -17.332 1.00 32.23 ATOM 792 O MET 48 13.478 -30.515 -17.932 1.00 41.32 ATOM 793 N GLU 49 11.960 -32.176 -17.928 1.00 23.23 ATOM 794 HN GLU 49 11.335 -32.723 -17.397 1.00 37.95 ATOM 795 CA GLU 49 12.089 -32.445 -19.355 1.00 52.22 ATOM 796 HA GLU 49 12.641 -31.636 -19.813 1.00 74.04 ATOM 797 CB GLU 49 12.864 -33.744 -19.585 1.00 35.14 ATOM 798 HB1 GLU 49 12.311 -34.560 -19.150 1.00 37.95 ATOM 799 HB2 GLU 49 13.822 -33.665 -19.096 1.00 11.35 ATOM 800 CG GLU 49 13.094 -34.064 -21.052 1.00 20.41 ATOM 801 HG1 GLU 49 13.515 -33.195 -21.540 1.00 37.95 ATOM 802 HG2 GLU 49 12.147 -34.308 -21.510 1.00 62.25 ATOM 803 CD GLU 49 14.036 -35.236 -21.252 1.00 52.14 ATOM 804 OE1 GLU 49 15.072 -35.057 -21.926 1.00 13.51 ATOM 805 OE2 GLU 49 13.736 -36.332 -20.735 1.00 21.41 ATOM 806 C GLU 49 10.717 -32.534 -20.018 1.00 0.13 ATOM 807 O GLU 49 9.808 -33.185 -19.503 1.00 71.43 ATOM 808 N VAL 50 10.575 -31.874 -21.163 1.00 2.44 ATOM 809 HN VAL 50 11.337 -31.375 -21.535 1.00 37.95 ATOM 810 CA VAL 50 9.316 -31.878 -21.897 1.00 15.13 ATOM 811 HA VAL 50 8.640 -32.572 -21.424 1.00 24.43 ATOM 812 CB VAL 50 8.652 -30.488 -21.881 1.00 32.13 ATOM 813 HB VAL 50 8.502 -30.195 -20.852 1.00 12.10 ATOM 814 CG1 VAL 50 9.554 -29.458 -22.542 1.00 40.43 ATOM 815 HG11 VAL 50 9.147 -28.481 -22.357 1.00 45.30 ATOM 816 HG12 VAL 50 9.599 -29.620 -23.608 1.00 23.12 ATOM 817 HG13 VAL 50 10.547 -29.505 -22.127 1.00 23.21 ATOM 818 CG2 VAL 50 7.294 -30.538 -22.566 1.00 24.45 ATOM 819 HG21 VAL 50 6.801 -29.584 -22.448 1.00 54.53 ATOM 820 HG22 VAL 50 6.685 -31.309 -22.114 1.00 12.23 ATOM 821 HG23 VAL 50 7.412 -30.747 -23.617 1.00 31.24 ATOM 822 C VAL 50 9.524 -32.313 -23.343 1.00 13.11 ATOM 823 O VAL 50 10.396 -31.793 -24.038 1.00 22.33 ATOM 824 N GLU 51 8.716 -33.269 -23.790 1.00 32.53 ATOM 825 HN GLU 51 8.022 -33.640 -23.195 1.00 37.95 ATOM 826 CA GLU 51 8.812 -33.774 -25.154 1.00 64.52 ATOM 827 HA GLU 51 9.790 -33.539 -25.547 1.00 0.11 ATOM 828 CB GLU 51 8.655 -35.296 -25.171 1.00 21.43 ATOM 829 HB1 GLU 51 7.758 -35.551 -24.623 1.00 37.95 ATOM 830 HB2 GLU 51 9.500 -35.744 -24.678 1.00 65.24 ATOM 831 CG GLU 51 8.540 -35.881 -26.568 1.00 75.23 ATOM 832 HG1 GLU 51 9.451 -35.673 -27.109 1.00 37.95 ATOM 833 HG2 GLU 51 7.706 -35.431 -27.082 1.00 4.52 ATOM 834 CD GLU 51 8.317 -37.381 -26.556 1.00 70.15 ATOM 835 OE1 GLU 51 7.803 -37.913 -27.562 1.00 62.25 ATOM 836 OE2 GLU 51 8.657 -38.023 -25.540 1.00 43.34 ATOM 837 C GLU 51 7.755 -33.133 -26.048 1.00 33.22 ATOM 838 O GLU 51 6.555 -33.304 -25.830 1.00 1.23 ATOM 839 N VAL 52 8.209 -32.394 -27.055 1.00 15.20 ATOM 840 HN VAL 52 9.177 -32.282 -27.184 1.00 37.95 ATOM 841 CA VAL 52 7.303 -31.727 -27.983 1.00 13.24 ATOM 842 HA VAL 52 6.280 -32.001 -27.738 1.00 11.02 ATOM 843 CB VAL 52 7.413 -30.195 -27.870 1.00 55.43 ATOM 844 HB VAL 52 8.413 -29.898 -28.158 1.00 22.23 ATOM 845 CG1 VAL 52 6.427 -29.518 -28.811 1.00 20.11 ATOM 846 HG11 VAL 52 6.440 -28.448 -28.643 1.00 42.12 ATOM 847 HG12 VAL 52 5.429 -29.893 -28.629 1.00 31.20 ATOM 848 HG13 VAL 52 6.702 -29.713 -29.836 1.00 5.42 ATOM 849 CG2 VAL 52 7.184 -29.748 -26.434 1.00 74.31 ATOM 850 HG21 VAL 52 7.309 -30.558 -25.741 1.00 3.31 ATOM 851 HG22 VAL 52 6.189 -29.343 -26.320 1.00 23.45 ATOM 852 HG23 VAL 52 7.906 -28.980 -26.201 1.00 45.00 ATOM 853 C VAL 52 7.587 -32.142 -29.422 1.00 13.42 ATOM 854 O VAL 52 8.645 -31.833 -29.970 1.00 72.13 ATOM 855 N ASP 53 6.635 -32.842 -30.028 1.00 72.04 ATOM 856 HN ASP 53 5.807 -33.066 -29.547 1.00 37.95 ATOM 857 CA ASP 53 6.781 -33.298 -31.406 1.00 23.43 ATOM 858 HA ASP 53 5.877 -33.831 -31.666 1.00 45.54 ATOM 859 CB ASP 53 6.959 -32.104 -32.345 1.00 74.40 ATOM 860 HB1 ASP 53 7.966 -31.717 -32.268 1.00 37.95 ATOM 861 HB2 ASP 53 6.262 -31.327 -32.063 1.00 44.13 ATOM 862 CG ASP 53 6.696 -32.464 -33.794 1.00 43.13 ATOM 863 OD1 ASP 53 7.404 -31.932 -34.675 1.00 63.44 ATOM 864 OD2 ASP 53 5.784 -33.277 -34.047 1.00 75.44 ATOM 865 C ASP 53 7.968 -34.248 -31.540 1.00 53.13 ATOM 866 O ASP 53 8.572 -34.355 -32.606 1.00 70.35 ATOM 867 N GLY 54 8.296 -34.935 -30.450 1.00 45.42 ATOM 868 HN GLY 54 7.770 -34.851 -29.626 1.00 37.95 ATOM 869 CA GLY 54 9.410 -35.865 -30.467 1.00 60.13 ATOM 870 HA1 GLY 54 9.569 -36.246 -31.469 1.00 37.95 ATOM 871 HA2 GLY 54 9.167 -36.696 -29.821 1.00 12.25 ATOM 872 C GLY 54 10.698 -35.237 -29.972 1.00 72.23 ATOM 873 O GLY 54 11.656 -35.941 -29.656 1.00 5.03 ATOM 874 N GLN 55 10.720 -33.910 -29.907 1.00 3.10 ATOM 875 HN GLN 55 9.934 -33.386 -30.150 1.00 37.95 ATOM 876 CA GLN 55 11.902 -33.188 -29.449 1.00 74.12 ATOM 877 HA GLN 55 12.780 -33.792 -29.659 1.00 52.30 ATOM 878 CB GLN 55 12.046 -31.869 -30.210 1.00 60.14 ATOM 879 HB1 GLN 55 12.975 -31.396 -29.927 1.00 37.95 ATOM 880 HB2 GLN 55 11.223 -31.225 -29.939 1.00 43.41 ATOM 881 CG GLN 55 12.034 -32.034 -31.721 1.00 74.25 ATOM 882 HG1 GLN 55 11.238 -32.709 -32.005 1.00 37.95 ATOM 883 HG2 GLN 55 12.981 -32.456 -32.025 1.00 52.24 ATOM 884 CD GLN 55 11.845 -30.719 -32.451 1.00 12.32 ATOM 885 OE1 GLN 55 12.712 -29.846 -32.415 1.00 2.54 ATOM 886 NE2 GLN 55 10.707 -30.570 -33.119 1.00 13.24 ATOM 887 HE21 GLN 55 10.047 -31.299 -33.115 1.00 31.50 ATOM 888 HE22 GLN 55 10.568 -29.726 -33.597 1.00 61.32 ATOM 889 C GLN 55 11.828 -32.918 -27.950 1.00 33.20 ATOM 890 O GLN 55 10.950 -32.192 -27.481 1.00 64.53 ATOM 891 N LYS 56 12.754 -33.507 -27.201 1.00 61.14 ATOM 892 HN LYS 56 13.442 -34.068 -27.632 1.00 37.95 ATOM 893 CA LYS 56 12.796 -33.330 -25.755 1.00 34.33 ATOM 894 HA LYS 56 11.786 -33.219 -25.395 1.00 53.11 ATOM 895 CB LYS 56 13.418 -34.559 -25.088 1.00 21.02 ATOM 896 HB1 LYS 56 13.661 -34.317 -24.059 1.00 37.95 ATOM 897 HB2 LYS 56 14.334 -34.813 -25.604 1.00 21.35 ATOM 898 CG LYS 56 12.501 -35.770 -25.066 1.00 50.44 ATOM 899 HG1 LYS 56 11.477 -35.442 -24.997 1.00 37.95 ATOM 900 HG2 LYS 56 12.744 -36.369 -24.200 1.00 32.45 ATOM 901 CD LYS 56 12.672 -36.620 -26.314 1.00 35.53 ATOM 902 HD1 LYS 56 13.696 -36.965 -26.366 1.00 37.95 ATOM 903 HD2 LYS 56 12.446 -36.024 -27.185 1.00 24.34 ATOM 904 CE LYS 56 11.742 -37.825 -26.298 1.00 45.32 ATOM 905 HE1 LYS 56 10.825 -37.541 -26.768 1.00 37.95 ATOM 906 HE2 LYS 56 11.548 -38.134 -25.279 1.00 4.42 ATOM 907 NZ LYS 56 12.317 -38.978 -27.045 1.00 20.14 ATOM 908 HZ1 LYS 56 13.222 -39.271 -26.619 1.00 1.24 ATOM 909 HZ2 LYS 56 12.482 -38.720 -28.040 1.00 0.33 ATOM 910 HZ3 LYS 56 11.659 -39.783 -27.015 1.00 1.52 ATOM 911 C LYS 56 13.587 -32.081 -25.382 1.00 11.32 ATOM 912 O LYS 56 14.630 -31.796 -25.970 1.00 63.01 ATOM 913 N PHE 57 13.085 -31.339 -24.400 1.00 53.02 ATOM 914 HN PHE 57 12.242 -31.608 -23.967 1.00 37.95 ATOM 915 CA PHE 57 13.745 -30.120 -23.948 1.00 43.14 ATOM 916 HA PHE 57 14.745 -30.083 -24.370 1.00 32.11 ATOM 917 CB PHE 57 12.976 -28.889 -24.431 1.00 51.33 ATOM 918 HB1 PHE 57 13.458 -28.001 -24.046 1.00 37.95 ATOM 919 HB2 PHE 57 11.965 -28.931 -24.044 1.00 43.23 ATOM 920 CG PHE 57 12.905 -28.775 -25.927 1.00 51.23 ATOM 921 CD1 PHE 57 11.890 -29.398 -26.635 1.00 62.34 ATOM 922 HD1 PHE 57 11.142 -29.971 -26.104 1.00 10.42 ATOM 923 CD2 PHE 57 13.853 -28.045 -26.625 1.00 42.34 ATOM 924 HD2 PHE 57 14.651 -27.552 -26.087 1.00 42.32 ATOM 925 CE1 PHE 57 11.822 -29.295 -28.012 1.00 73.21 ATOM 926 HE1 PHE 57 11.023 -29.778 -28.546 1.00 12.25 ATOM 927 CE2 PHE 57 13.790 -27.938 -28.002 1.00 14.31 ATOM 928 HE2 PHE 57 14.536 -27.366 -28.535 1.00 21.25 ATOM 929 CZ PHE 57 12.773 -28.565 -28.696 1.00 44.32 ATOM 930 HZ PHE 57 12.722 -28.484 -29.771 1.00 24.35 ATOM 931 C PHE 57 13.862 -30.096 -22.427 1.00 61.32 ATOM 932 O PHE 57 12.863 -30.202 -21.717 1.00 30.44 ATOM 933 N GLN 58 15.089 -29.957 -21.936 1.00 63.20 ATOM 934 HN GLN 58 15.855 -29.862 -22.550 1.00 37.95 ATOM 935 CA GLN 58 15.337 -29.921 -20.500 1.00 21.14 ATOM 936 HA GLN 58 14.459 -30.290 -19.992 1.00 11.52 ATOM 937 CB GLN 58 16.527 -30.813 -20.143 1.00 63.54 ATOM 938 HB1 GLN 58 17.099 -30.359 -19.341 1.00 37.95 ATOM 939 HB2 GLN 58 17.169 -30.907 -21.010 1.00 70.35 ATOM 940 CG GLN 58 16.128 -32.207 -19.687 1.00 35.31 ATOM 941 HG1 GLN 58 15.418 -32.619 -20.393 1.00 37.95 ATOM 942 HG2 GLN 58 15.665 -32.134 -18.715 1.00 11.42 ATOM 943 CD GLN 58 17.310 -33.151 -19.588 1.00 2.41 ATOM 944 OE1 GLN 58 18.464 -32.719 -19.577 1.00 34.53 ATOM 945 NE2 GLN 58 17.030 -34.446 -19.515 1.00 73.53 ATOM 946 HE21 GLN 58 16.091 -34.734 -19.525 1.00 23.21 ATOM 947 HE22 GLN 58 17.782 -35.072 -19.453 1.00 73.44 ATOM 948 C GLN 58 15.597 -28.494 -20.028 1.00 30.33 ATOM 949 O GLN 58 16.164 -27.682 -20.757 1.00 65.21 ATOM 950 N GLY 59 15.177 -28.196 -18.802 1.00 1.41 ATOM 951 HN GLY 59 14.717 -28.882 -18.262 1.00 37.95 ATOM 952 CA GLY 59 15.373 -26.866 -18.254 1.00 21.20 ATOM 953 HA1 GLY 59 14.494 -26.275 -18.464 1.00 37.95 ATOM 954 HA2 GLY 59 16.229 -26.394 -18.726 1.00 54.34 ATOM 955 C GLY 59 15.595 -26.884 -16.755 1.00 1.04 ATOM 956 O GLY 59 14.984 -27.677 -16.039 1.00 62.44 ATOM 957 N ALA 60 16.473 -26.008 -16.278 1.00 3.24 ATOM 958 HN ALA 60 16.937 -25.394 -16.892 1.00 37.95 ATOM 959 CA ALA 60 16.774 -25.926 -14.854 1.00 2.12 ATOM 960 HA ALA 60 16.179 -26.658 -14.320 1.00 72.10 ATOM 961 CB ALA 60 18.237 -26.260 -14.603 1.00 43.05 ATOM 962 HB1 ALA 60 18.867 -25.529 -15.091 1.00 54.12 ATOM 963 HB2 ALA 60 18.453 -27.240 -15.001 1.00 54.35 ATOM 964 HB3 ALA 60 18.435 -26.254 -13.540 1.00 64.12 ATOM 965 C ALA 60 16.443 -24.544 -14.301 1.00 42.44 ATOM 966 O ALA 60 16.560 -23.540 -15.003 1.00 52.21 ATOM 967 N GLY 61 16.029 -24.499 -13.039 1.00 31.33 ATOM 968 HN GLY 61 15.942 -25.336 -12.524 1.00 37.95 ATOM 969 CA GLY 61 15.687 -23.235 -12.414 1.00 54.12 ATOM 970 HA1 GLY 61 14.647 -23.061 -12.581 1.00 37.95 ATOM 971 HA2 GLY 61 16.256 -22.429 -12.864 1.00 63.45 ATOM 972 C GLY 61 15.956 -23.233 -10.923 1.00 25.14 ATOM 973 O GLY 61 17.055 -23.572 -10.483 1.00 43.13 ATOM 974 N SER 62 14.952 -22.849 -10.141 1.00 51.05 ATOM 975 HN SER 62 14.111 -22.553 -10.545 1.00 37.95 ATOM 976 CA SER 62 15.088 -22.799 -8.690 1.00 51.05 ATOM 977 HA SER 62 16.104 -23.052 -8.413 1.00 51.32 ATOM 978 CB SER 62 14.789 -21.389 -8.177 1.00 70.13 ATOM 979 HB1 SER 62 15.576 -20.722 -8.499 1.00 37.95 ATOM 980 HB2 SER 62 14.745 -21.390 -7.096 1.00 64.33 ATOM 981 OG SER 62 13.555 -20.912 -8.686 1.00 21.33 ATOM 982 HG SER 62 13.677 -20.591 -9.583 1.00 22.55 ATOM 983 C SER 62 14.155 -23.804 -8.022 1.00 74.14 ATOM 984 O SER 62 14.430 -24.289 -6.926 1.00 32.30 ATOM 985 N ASN 63 13.049 -24.112 -8.693 1.00 11.52 ATOM 986 HN ASN 63 12.849 -23.675 -9.541 1.00 37.95 ATOM 987 CA ASN 63 12.073 -25.058 -8.165 1.00 23.42 ATOM 988 HA ASN 63 12.584 -25.772 -7.530 1.00 54.11 ATOM 989 CB ASN 63 11.019 -24.326 -7.333 1.00 12.50 ATOM 990 HB1 ASN 63 11.428 -24.142 -6.350 1.00 37.95 ATOM 991 HB2 ASN 63 10.127 -24.926 -7.224 1.00 1.44 ATOM 992 CG ASN 63 10.623 -22.995 -7.944 1.00 33.22 ATOM 993 OD1 ASN 63 9.850 -22.944 -8.900 1.00 75.45 ATOM 994 ND2 ASN 63 11.153 -21.910 -7.392 1.00 13.20 ATOM 995 HD21 ASN 63 11.767 -22.009 -6.630 1.00 61.23 ATOM 996 HD22 ASN 63 10.905 -21.040 -7.769 1.00 1.43 ATOM 997 C ASN 63 11.399 -25.831 -9.294 1.00 62.52 ATOM 998 O ASN 63 11.716 -25.640 -10.468 1.00 51.24 ATOM 999 N LYS 64 10.467 -26.706 -8.931 1.00 0.10 ATOM 1000 HN LYS 64 10.277 -26.845 -7.973 1.00 37.95 ATOM 1001 CA LYS 64 9.746 -27.508 -9.912 1.00 55.41 ATOM 1002 HA LYS 64 10.468 -28.111 -10.448 1.00 11.22 ATOM 1003 CB LYS 64 8.739 -28.423 -9.212 1.00 72.20 ATOM 1004 HB1 LYS 64 7.919 -28.635 -9.892 1.00 37.95 ATOM 1005 HB2 LYS 64 8.344 -27.916 -8.342 1.00 11.03 ATOM 1006 CG LYS 64 9.332 -29.746 -8.759 1.00 43.01 ATOM 1007 HG1 LYS 64 9.873 -29.576 -7.838 1.00 37.95 ATOM 1008 HG2 LYS 64 10.014 -30.112 -9.517 1.00 13.00 ATOM 1009 CD LYS 64 8.254 -30.793 -8.535 1.00 24.21 ATOM 1010 HD1 LYS 64 8.025 -31.264 -9.480 1.00 37.95 ATOM 1011 HD2 LYS 64 7.362 -30.319 -8.142 1.00 10.15 ATOM 1012 CE LYS 64 8.710 -31.861 -7.552 1.00 0.52 ATOM 1013 HE1 LYS 64 9.378 -31.425 -6.818 1.00 37.95 ATOM 1014 HE2 LYS 64 9.234 -32.631 -8.097 1.00 64.11 ATOM 1015 NZ LYS 64 7.562 -32.480 -6.834 1.00 12.34 ATOM 1016 HZ1 LYS 64 6.912 -32.931 -7.511 1.00 41.43 ATOM 1017 HZ2 LYS 64 7.039 -31.758 -6.296 1.00 45.20 ATOM 1018 HZ3 LYS 64 7.907 -33.204 -6.171 1.00 25.34 ATOM 1019 C LYS 64 9.024 -26.617 -10.918 1.00 41.52 ATOM 1020 O LYS 64 9.080 -26.853 -12.125 1.00 61.32 ATOM 1021 N LYS 65 8.348 -25.590 -10.414 1.00 53.11 ATOM 1022 HN LYS 65 8.330 -25.455 -9.436 1.00 37.95 ATOM 1023 CA LYS 65 7.617 -24.661 -11.268 1.00 43.11 ATOM 1024 HA LYS 65 6.864 -25.223 -11.807 1.00 64.13 ATOM 1025 CB LYS 65 6.937 -23.584 -10.420 1.00 41.33 ATOM 1026 HB1 LYS 65 6.818 -22.676 -11.003 1.00 37.95 ATOM 1027 HB2 LYS 65 7.563 -23.362 -9.569 1.00 64.32 ATOM 1028 CG LYS 65 5.574 -23.996 -9.893 1.00 13.42 ATOM 1029 HG1 LYS 65 5.350 -23.411 -9.010 1.00 37.95 ATOM 1030 HG2 LYS 65 5.596 -25.045 -9.623 1.00 11.54 ATOM 1031 CD LYS 65 4.486 -23.783 -10.933 1.00 21.45 ATOM 1032 HD1 LYS 65 3.651 -24.426 -10.691 1.00 37.95 ATOM 1033 HD2 LYS 65 4.860 -24.039 -11.916 1.00 22.33 ATOM 1034 CE LYS 65 4.003 -22.341 -10.947 1.00 61.24 ATOM 1035 HE1 LYS 65 4.717 -21.742 -11.493 1.00 37.95 ATOM 1036 HE2 LYS 65 3.928 -21.974 -9.931 1.00 50.12 ATOM 1037 NZ LYS 65 2.668 -22.210 -11.594 1.00 41.02 ATOM 1038 HZ1 LYS 65 1.960 -22.776 -11.081 1.00 43.14 ATOM 1039 HZ2 LYS 65 2.710 -22.538 -12.581 1.00 24.20 ATOM 1040 HZ3 LYS 65 2.367 -21.214 -11.588 1.00 54.24 ATOM 1041 C LYS 65 8.549 -24.009 -12.285 1.00 72.42 ATOM 1042 O LYS 65 8.330 -24.105 -13.493 1.00 10.11 ATOM 1043 N VAL 66 9.590 -23.348 -11.789 1.00 73.10 ATOM 1044 HN VAL 66 9.718 -23.324 -10.811 1.00 37.95 ATOM 1045 CA VAL 66 10.556 -22.683 -12.655 1.00 22.13 ATOM 1046 HA VAL 66 10.035 -21.912 -13.210 1.00 4.11 ATOM 1047 CB VAL 66 11.679 -22.018 -11.836 1.00 55.20 ATOM 1048 HB VAL 66 12.198 -22.786 -11.293 1.00 11.04 ATOM 1049 CG1 VAL 66 12.673 -21.326 -12.756 1.00 70.42 ATOM 1050 HG11 VAL 66 13.120 -22.036 -13.427 1.00 23.34 ATOM 1051 HG12 VAL 66 13.451 -20.864 -12.165 1.00 12.21 ATOM 1052 HG13 VAL 66 12.164 -20.566 -13.329 1.00 60.11 ATOM 1053 CG2 VAL 66 11.095 -21.034 -10.833 1.00 75.32 ATOM 1054 HG21 VAL 66 11.326 -20.015 -11.122 1.00 13.32 ATOM 1055 HG22 VAL 66 11.523 -21.226 -9.869 1.00 72.52 ATOM 1056 HG23 VAL 66 10.021 -21.139 -10.761 1.00 64.35 ATOM 1057 C VAL 66 11.176 -23.665 -13.642 1.00 63.13 ATOM 1058 O VAL 66 11.190 -23.423 -14.849 1.00 12.43 ATOM 1059 N ALA 67 11.689 -24.775 -13.122 1.00 33.34 ATOM 1060 HN ALA 67 11.652 -24.910 -12.145 1.00 37.95 ATOM 1061 CA ALA 67 12.308 -25.796 -13.958 1.00 2.03 ATOM 1062 HA ALA 67 13.184 -25.364 -14.423 1.00 73.13 ATOM 1063 CB ALA 67 12.760 -26.973 -13.106 1.00 71.21 ATOM 1064 HB1 ALA 67 11.900 -27.461 -12.670 1.00 20.32 ATOM 1065 HB2 ALA 67 13.405 -26.615 -12.317 1.00 31.42 ATOM 1066 HB3 ALA 67 13.304 -27.676 -13.720 1.00 43.15 ATOM 1067 C ALA 67 11.353 -26.266 -15.049 1.00 54.02 ATOM 1068 O ALA 67 11.764 -26.525 -16.180 1.00 42.33 ATOM 1069 N LYS 68 10.074 -26.375 -14.703 1.00 64.31 ATOM 1070 HN LYS 68 9.801 -26.164 -13.779 1.00 37.95 ATOM 1071 CA LYS 68 9.059 -26.814 -15.653 1.00 12.30 ATOM 1072 HA LYS 68 9.414 -27.719 -16.135 1.00 1.42 ATOM 1073 CB LYS 68 7.745 -27.109 -14.926 1.00 53.52 ATOM 1074 HB1 LYS 68 6.923 -26.856 -15.583 1.00 37.95 ATOM 1075 HB2 LYS 68 7.674 -26.493 -14.042 1.00 5.11 ATOM 1076 CG LYS 68 7.592 -28.562 -14.511 1.00 52.42 ATOM 1077 HG1 LYS 68 8.274 -28.740 -13.702 1.00 37.95 ATOM 1078 HG2 LYS 68 7.831 -29.210 -15.343 1.00 5.42 ATOM 1079 CD LYS 68 6.183 -28.857 -14.024 1.00 22.11 ATOM 1080 HD1 LYS 68 5.908 -28.141 -13.261 1.00 37.95 ATOM 1081 HD2 LYS 68 6.163 -29.852 -13.605 1.00 42.41 ATOM 1082 CE LYS 68 5.174 -28.785 -15.160 1.00 11.45 ATOM 1083 HE1 LYS 68 5.583 -29.251 -16.024 1.00 37.95 ATOM 1084 HE2 LYS 68 4.969 -27.748 -15.377 1.00 32.41 ATOM 1085 NZ LYS 68 3.893 -29.458 -14.807 1.00 64.23 ATOM 1086 HZ1 LYS 68 3.463 -29.005 -13.973 1.00 44.32 ATOM 1087 HZ2 LYS 68 4.058 -30.464 -14.595 1.00 60.13 ATOM 1088 HZ3 LYS 68 3.227 -29.391 -15.603 1.00 53.44 ATOM 1089 C LYS 68 8.830 -25.759 -16.731 1.00 4.12 ATOM 1090 O LYS 68 8.470 -26.082 -17.862 1.00 64.13 ATOM 1091 N ALA 69 9.043 -24.497 -16.372 1.00 63.11 ATOM 1092 HN ALA 69 9.303 -24.290 -15.450 1.00 37.95 ATOM 1093 CA ALA 69 8.864 -23.396 -17.310 1.00 10.42 ATOM 1094 HA ALA 69 7.933 -23.551 -17.836 1.00 11.22 ATOM 1095 CB ALA 69 8.769 -22.075 -16.561 1.00 2.24 ATOM 1096 HB1 ALA 69 9.052 -21.253 -17.201 1.00 71.25 ATOM 1097 HB2 ALA 69 9.420 -22.090 -15.703 1.00 33.10 ATOM 1098 HB3 ALA 69 7.751 -21.930 -16.230 1.00 45.25 ATOM 1099 C ALA 69 10.000 -23.349 -18.326 1.00 20.30 ATOM 1100 O ALA 69 9.764 -23.278 -19.532 1.00 42.13 ATOM 1101 N TYR 70 11.232 -23.390 -17.831 1.00 40.41 ATOM 1102 HN TYR 70 11.358 -23.447 -16.853 1.00 37.95 ATOM 1103 CA TYR 70 12.405 -23.349 -18.696 1.00 51.13 ATOM 1104 HA TYR 70 12.369 -22.431 -19.260 1.00 51.23 ATOM 1105 CB TYR 70 13.684 -23.391 -17.859 1.00 2.53 ATOM 1106 HB1 TYR 70 14.515 -23.703 -18.482 1.00 37.95 ATOM 1107 HB2 TYR 70 13.560 -24.111 -17.061 1.00 22.03 ATOM 1108 CG TYR 70 14.056 -22.055 -17.254 1.00 34.51 ATOM 1109 CD1 TYR 70 14.299 -21.931 -15.892 1.00 23.12 ATOM 1110 HD1 TYR 70 14.218 -22.804 -15.259 1.00 34.02 ATOM 1111 CD2 TYR 70 14.164 -20.918 -18.045 1.00 71.42 ATOM 1112 HD2 TYR 70 13.982 -20.992 -19.108 1.00 13.03 ATOM 1113 CE1 TYR 70 14.638 -20.713 -15.335 1.00 61.10 ATOM 1114 HE1 TYR 70 14.828 -20.637 -14.276 1.00 2.43 ATOM 1115 CE2 TYR 70 14.504 -19.697 -17.497 1.00 53.53 ATOM 1116 HE2 TYR 70 14.583 -18.825 -18.129 1.00 11.35 ATOM 1117 CZ TYR 70 14.739 -19.599 -16.142 1.00 3.12 ATOM 1118 OH TYR 70 15.078 -18.384 -15.591 1.00 60.12 ATOM 1119 HH TYR 70 14.554 -17.673 -15.975 1.00 12.21 ATOM 1120 C TYR 70 12.393 -24.511 -19.685 1.00 41.31 ATOM 1121 O TYR 70 12.756 -24.352 -20.850 1.00 71.43 ATOM 1122 N ALA 71 11.972 -25.679 -19.211 1.00 5.45 ATOM 1123 HN ALA 71 11.709 -25.753 -18.263 1.00 37.95 ATOM 1124 CA ALA 71 11.910 -26.867 -20.052 1.00 20.21 ATOM 1125 HA ALA 71 12.913 -27.094 -20.390 1.00 2.05 ATOM 1126 CB ALA 71 11.405 -28.057 -19.249 1.00 11.44 ATOM 1127 HB1 ALA 71 11.417 -28.945 -19.866 1.00 22.24 ATOM 1128 HB2 ALA 71 10.396 -27.867 -18.911 1.00 41.50 ATOM 1129 HB3 ALA 71 12.046 -28.208 -18.393 1.00 2.43 ATOM 1130 C ALA 71 11.021 -26.632 -21.269 1.00 23.43 ATOM 1131 O ALA 71 11.333 -27.079 -22.372 1.00 70.11 ATOM 1132 N ALA 72 9.913 -25.929 -21.059 1.00 60.53 ATOM 1133 HN ALA 72 9.710 -25.596 -20.153 1.00 37.95 ATOM 1134 CA ALA 72 8.980 -25.635 -22.140 1.00 10.44 ATOM 1135 HA ALA 72 8.914 -26.495 -22.791 1.00 54.34 ATOM 1136 CB ALA 72 7.590 -25.371 -21.579 1.00 61.14 ATOM 1137 HB1 ALA 72 7.636 -24.551 -20.877 1.00 70.23 ATOM 1138 HB2 ALA 72 7.235 -26.255 -21.074 1.00 1.25 ATOM 1139 HB3 ALA 72 6.909 -25.119 -22.380 1.00 34.03 ATOM 1140 C ALA 72 9.454 -24.443 -22.965 1.00 24.22 ATOM 1141 O ALA 72 9.367 -24.452 -24.194 1.00 3.25 ATOM 1142 N LEU 73 9.955 -23.419 -22.283 1.00 25.21 ATOM 1143 HN LEU 73 9.981 -23.460 -21.300 1.00 37.95 ATOM 1144 CA LEU 73 10.443 -22.219 -22.953 1.00 65.03 ATOM 1145 HA LEU 73 9.599 -21.750 -23.415 1.00 74.33 ATOM 1146 CB LEU 73 11.082 -21.268 -21.939 1.00 62.52 ATOM 1147 HB1 LEU 73 11.982 -20.842 -22.374 1.00 37.95 ATOM 1148 HB2 LEU 73 11.378 -21.843 -21.073 1.00 45.44 ATOM 1149 CG LEU 73 10.207 -20.109 -21.462 1.00 51.14 ATOM 1150 HG LEU 73 9.329 -20.506 -21.002 1.00 1.43 ATOM 1151 CD1 LEU 73 10.941 -19.279 -20.421 1.00 3.11 ATOM 1152 HD11 LEU 73 11.208 -19.905 -19.581 1.00 60.45 ATOM 1153 HD12 LEU 73 10.300 -18.479 -20.077 1.00 74.05 ATOM 1154 HD13 LEU 73 11.838 -18.859 -20.855 1.00 41.01 ATOM 1155 CD2 LEU 73 9.785 -19.240 -22.639 1.00 22.44 ATOM 1156 HD21 LEU 73 9.227 -18.386 -22.278 1.00 1.13 ATOM 1157 HD22 LEU 73 9.159 -19.805 -23.309 1.00 33.44 ATOM 1158 HD23 LEU 73 10.661 -18.893 -23.170 1.00 3.24 ATOM 1159 C LEU 73 11.453 -22.575 -24.040 1.00 1.40 ATOM 1160 O LEU 73 11.455 -21.981 -25.118 1.00 13.12 ATOM 1161 N ALA 74 12.309 -23.549 -23.749 1.00 41.32 ATOM 1162 HN ALA 74 12.274 -23.979 -22.862 1.00 37.95 ATOM 1163 CA ALA 74 13.321 -23.987 -24.703 1.00 12.41 ATOM 1164 HA ALA 74 13.980 -23.152 -24.902 1.00 13.10 ATOM 1165 CB ALA 74 14.155 -25.111 -24.108 1.00 62.31 ATOM 1166 HB1 ALA 74 13.507 -25.923 -23.825 1.00 34.02 ATOM 1167 HB2 ALA 74 14.674 -24.746 -23.234 1.00 23.11 ATOM 1168 HB3 ALA 74 14.878 -25.460 -24.834 1.00 71.35 ATOM 1169 C ALA 74 12.683 -24.435 -26.013 1.00 55.12 ATOM 1170 O ALA 74 13.216 -24.182 -27.093 1.00 24.42 ATOM 1171 N ALA 75 11.538 -25.102 -25.911 1.00 14.24 ATOM 1172 HN ALA 75 11.153 -25.280 -25.020 1.00 37.95 ATOM 1173 CA ALA 75 10.826 -25.584 -27.088 1.00 2.01 ATOM 1174 HA ALA 75 11.552 -25.876 -27.839 1.00 23.11 ATOM 1175 CB ALA 75 10.003 -26.816 -26.740 1.00 4.43 ATOM 1176 HB1 ALA 75 10.496 -27.371 -25.960 1.00 51.13 ATOM 1177 HB2 ALA 75 9.896 -27.436 -27.614 1.00 60.34 ATOM 1178 HB3 ALA 75 9.020 -26.522 -26.391 1.00 41.42 ATOM 1179 C ALA 75 9.932 -24.496 -27.673 1.00 20.11 ATOM 1180 O ALA 75 9.617 -24.511 -28.864 1.00 0.34 ATOM 1181 N LEU 76 9.525 -23.554 -26.829 1.00 62.21 ATOM 1182 HN LEU 76 9.784 -23.604 -25.885 1.00 37.95 ATOM 1183 CA LEU 76 8.666 -22.458 -27.263 1.00 11.13 ATOM 1184 HA LEU 76 7.877 -22.877 -27.864 1.00 1.13 ATOM 1185 CB LEU 76 8.065 -21.745 -26.050 1.00 52.22 ATOM 1186 HB1 LEU 76 8.072 -20.674 -26.228 1.00 37.95 ATOM 1187 HB2 LEU 76 8.697 -21.937 -25.200 1.00 4.34 ATOM 1188 CG LEU 76 6.636 -22.142 -25.679 1.00 14.45 ATOM 1189 HG LEU 76 6.600 -23.203 -25.531 1.00 51.14 ATOM 1190 CD1 LEU 76 6.216 -21.472 -24.379 1.00 44.42 ATOM 1191 HD11 LEU 76 6.240 -20.397 -24.497 1.00 32.14 ATOM 1192 HD12 LEU 76 6.893 -21.761 -23.587 1.00 10.44 ATOM 1193 HD13 LEU 76 5.213 -21.782 -24.119 1.00 34.34 ATOM 1194 CD2 LEU 76 5.673 -21.782 -26.801 1.00 42.30 ATOM 1195 HD21 LEU 76 4.881 -21.151 -26.436 1.00 61.21 ATOM 1196 HD22 LEU 76 5.242 -22.687 -27.199 1.00 50.34 ATOM 1197 HD23 LEU 76 6.193 -21.262 -27.597 1.00 33.04 ATOM 1198 C LEU 76 9.443 -21.463 -28.119 1.00 13.23 ATOM 1199 O LEU 76 8.953 -21.003 -29.150 1.00 4.43 ATOM 1200 N GLU 77 10.656 -21.137 -27.685 1.00 23.44 ATOM 1201 HN GLU 77 11.003 -21.547 -26.858 1.00 37.95 ATOM 1202 CA GLU 77 11.501 -20.198 -28.413 1.00 11.13 ATOM 1203 HA GLU 77 10.879 -19.394 -28.788 1.00 13.51 ATOM 1204 CB GLU 77 12.558 -19.601 -27.482 1.00 10.54 ATOM 1205 HB1 GLU 77 13.090 -18.819 -28.008 1.00 37.95 ATOM 1206 HB2 GLU 77 13.261 -20.377 -27.205 1.00 11.14 ATOM 1207 CG GLU 77 11.983 -19.019 -26.201 1.00 75.21 ATOM 1208 HG1 GLU 77 12.800 -18.799 -25.530 1.00 37.95 ATOM 1209 HG2 GLU 77 11.328 -19.731 -25.735 1.00 45.25 ATOM 1210 CD GLU 77 11.208 -17.738 -26.439 1.00 12.42 ATOM 1211 OE1 GLU 77 11.721 -16.859 -27.163 1.00 73.20 ATOM 1212 OE2 GLU 77 10.088 -17.614 -25.900 1.00 51.51 ATOM 1213 C GLU 77 12.178 -20.881 -29.597 1.00 44.44 ATOM 1214 O GLU 77 12.534 -20.233 -30.582 1.00 42.22 ATOM 1215 N LYS 78 12.354 -22.194 -29.495 1.00 3.45 ATOM 1216 HN LYS 78 12.057 -22.668 -28.685 1.00 37.95 ATOM 1217 CA LYS 78 12.988 -22.967 -30.556 1.00 1.30 ATOM 1218 HA LYS 78 13.780 -22.367 -30.991 1.00 2.35 ATOM 1219 CB LYS 78 13.601 -24.248 -29.986 1.00 14.02 ATOM 1220 HB1 LYS 78 12.816 -24.883 -29.595 1.00 37.95 ATOM 1221 HB2 LYS 78 14.256 -23.966 -29.175 1.00 14.42 ATOM 1222 CG LYS 78 14.438 -25.021 -30.990 1.00 1.11 ATOM 1223 HG1 LYS 78 15.291 -25.435 -30.467 1.00 37.95 ATOM 1224 HG2 LYS 78 14.787 -24.355 -31.770 1.00 13.13 ATOM 1225 CD LYS 78 13.645 -26.150 -31.626 1.00 31.33 ATOM 1226 HD1 LYS 78 13.070 -25.742 -32.441 1.00 37.95 ATOM 1227 HD2 LYS 78 12.981 -26.597 -30.898 1.00 41.21 ATOM 1228 CE LYS 78 14.560 -27.234 -32.175 1.00 42.32 ATOM 1229 HE1 LYS 78 13.966 -27.931 -32.737 1.00 37.95 ATOM 1230 HE2 LYS 78 15.035 -27.744 -31.351 1.00 62.14 ATOM 1231 NZ LYS 78 15.609 -26.672 -33.071 1.00 31.10 ATOM 1232 HZ1 LYS 78 15.189 -26.022 -33.770 1.00 24.24 ATOM 1233 HZ2 LYS 78 16.082 -27.443 -33.583 1.00 41.22 ATOM 1234 HZ3 LYS 78 16.324 -26.159 -32.517 1.00 24.10 ATOM 1235 C LYS 78 11.984 -23.314 -31.650 1.00 54.02 ATOM 1236 O LYS 78 12.237 -23.087 -32.834 1.00 54.01 ATOM 1237 N LEU 79 10.844 -23.864 -31.247 1.00 55.13 ATOM 1238 HN LEU 79 10.694 -24.013 -30.284 1.00 37.95 ATOM 1239 CA LEU 79 9.800 -24.241 -32.194 1.00 35.12 ATOM 1240 HA LEU 79 10.265 -24.654 -33.079 1.00 50.20 ATOM 1241 CB LEU 79 8.882 -25.298 -31.577 1.00 31.12 ATOM 1242 HB1 LEU 79 8.176 -25.603 -32.341 1.00 37.95 ATOM 1243 HB2 LEU 79 8.325 -24.845 -30.770 1.00 24.41 ATOM 1244 CG LEU 79 9.570 -26.556 -31.045 1.00 74.10 ATOM 1245 HG LEU 79 10.200 -26.297 -30.211 1.00 62.31 ATOM 1246 CD1 LEU 79 8.539 -27.562 -30.557 1.00 12.02 ATOM 1247 HD11 LEU 79 9.042 -28.435 -30.163 1.00 1.54 ATOM 1248 HD12 LEU 79 7.899 -27.857 -31.377 1.00 10.42 ATOM 1249 HD13 LEU 79 7.939 -27.116 -29.776 1.00 44.23 ATOM 1250 CD2 LEU 79 10.454 -27.174 -32.118 1.00 22.21 ATOM 1251 HD21 LEU 79 10.980 -28.023 -31.706 1.00 3.02 ATOM 1252 HD22 LEU 79 11.165 -26.460 -32.473 1.00 33.25 ATOM 1253 HD23 LEU 79 9.842 -27.505 -32.945 1.00 42.34 ATOM 1254 C LEU 79 8.981 -23.025 -32.616 1.00 5.25 ATOM 1255 O LEU 79 8.631 -22.875 -33.786 1.00 74.01 ATOM 1256 N PHE 80 8.683 -22.157 -31.654 1.00 74.05 ATOM 1257 HN PHE 80 8.977 -22.323 -30.730 1.00 37.95 ATOM 1258 CA PHE 80 7.907 -20.952 -31.926 1.00 70.42 ATOM 1259 HA PHE 80 7.629 -20.927 -32.972 1.00 35.00 ATOM 1260 CB PHE 80 6.618 -20.954 -31.102 1.00 11.41 ATOM 1261 HB1 PHE 80 5.960 -20.189 -31.492 1.00 37.95 ATOM 1262 HB2 PHE 80 6.838 -20.723 -30.069 1.00 44.14 ATOM 1263 CG PHE 80 5.879 -22.260 -31.147 1.00 75.22 ATOM 1264 CD1 PHE 80 5.237 -22.669 -32.305 1.00 40.44 ATOM 1265 HD1 PHE 80 5.270 -22.040 -33.185 1.00 14.20 ATOM 1266 CD2 PHE 80 5.825 -23.080 -30.031 1.00 54.14 ATOM 1267 HD2 PHE 80 6.321 -22.782 -29.135 1.00 15.23 ATOM 1268 CE1 PHE 80 4.556 -23.871 -32.351 1.00 1.43 ATOM 1269 HE1 PHE 80 4.060 -24.178 -33.260 1.00 31.31 ATOM 1270 CE2 PHE 80 5.146 -24.283 -30.071 1.00 34.02 ATOM 1271 HE2 PHE 80 5.111 -24.913 -29.202 1.00 45.33 ATOM 1272 CZ PHE 80 4.510 -24.678 -31.231 1.00 74.34 ATOM 1273 HZ PHE 80 3.983 -25.606 -31.265 1.00 12.02 ATOM 1274 C PHE 80 8.721 -19.700 -31.616 1.00 2.20 ATOM 1275 O PHE 80 8.435 -18.960 -30.674 1.00 51.04 ATOM 1276 N PRO 81 9.762 -19.455 -32.426 1.00 72.43 ATOM 1277 CA PRO 81 10.639 -18.293 -32.259 1.00 64.21 ATOM 1278 HA PRO 81 11.035 -18.235 -31.255 1.00 1.04 ATOM 1279 CB PRO 81 11.779 -18.565 -33.245 1.00 12.54 ATOM 1280 HB1 PRO 81 12.586 -19.064 -32.732 1.00 37.95 ATOM 1281 HB2 PRO 81 12.146 -17.641 -33.675 1.00 73.12 ATOM 1282 CG PRO 81 11.179 -19.449 -34.283 1.00 24.25 ATOM 1283 HG1 PRO 81 11.946 -20.076 -34.714 1.00 37.95 ATOM 1284 HG2 PRO 81 10.710 -18.856 -35.051 1.00 24.11 ATOM 1285 CD PRO 81 10.161 -20.295 -33.568 1.00 44.44 ATOM 1286 HD1 PRO 81 10.628 -21.203 -33.232 1.00 37.95 ATOM 1287 HD2 PRO 81 9.326 -20.507 -34.217 1.00 35.50 ATOM 1288 C PRO 81 9.939 -16.983 -32.603 1.00 35.33 ATOM 1289 O PRO 81 10.057 -15.996 -31.877 1.00 35.14 ATOM 1290 N ASP 82 9.209 -16.982 -33.713 1.00 0.31 ATOM 1291 HN ASP 82 9.115 -17.796 -34.245 1.00 37.95 ATOM 1292 CA ASP 82 8.487 -15.793 -34.152 1.00 4.12 ATOM 1293 HA ASP 82 8.046 -16.022 -35.112 1.00 3.24 ATOM 1294 CB ASP 82 7.385 -15.441 -33.151 1.00 43.25 ATOM 1295 HB1 ASP 82 7.797 -14.868 -32.329 1.00 37.95 ATOM 1296 HB2 ASP 82 6.959 -16.355 -32.760 1.00 43.32 ATOM 1297 CG ASP 82 6.263 -14.641 -33.784 1.00 61.40 ATOM 1298 OD1 ASP 82 5.833 -13.639 -33.176 1.00 23.22 ATOM 1299 OD2 ASP 82 5.814 -15.018 -34.887 1.00 21.41 ATOM 1300 C ASP 82 9.437 -14.611 -34.318 1.00 4.12 ATOM 1301 O ASP 82 9.052 -13.458 -34.123 1.00 53.41 ATOM 1302 N THR 83 10.683 -14.905 -34.678 1.00 31.10 ATOM 1303 HN THR 83 10.942 -15.840 -34.844 1.00 37.95 ATOM 1304 CA THR 83 11.689 -13.868 -34.868 1.00 11.11 ATOM 1305 HA THR 83 11.177 -12.937 -35.088 1.00 70.04 ATOM 1306 CB THR 83 12.547 -13.679 -33.603 1.00 21.23 ATOM 1307 HB THR 83 13.535 -13.328 -33.874 1.00 33.24 ATOM 1308 OG1 THR 83 12.689 -14.928 -32.917 1.00 4.04 ATOM 1309 HG1 THR 83 13.372 -15.454 -33.341 1.00 24.11 ATOM 1310 CG2 THR 83 11.921 -12.652 -32.672 1.00 14.10 ATOM 1311 HG21 THR 83 11.842 -11.702 -33.181 1.00 11.11 ATOM 1312 HG22 THR 83 12.541 -12.539 -31.795 1.00 74.04 ATOM 1313 HG23 THR 83 10.937 -12.984 -32.374 1.00 2.13 ATOM 1314 C THR 83 12.602 -14.196 -36.043 1.00 62.33 ATOM 1315 O THR 83 12.715 -15.345 -36.471 1.00 32.30 ATOM 1316 N PRO 84 13.272 -13.165 -36.580 1.00 32.24 ATOM 1317 CA PRO 84 14.189 -13.320 -37.713 1.00 34.21 ATOM 1318 HA PRO 84 13.702 -13.813 -38.545 1.00 62.21 ATOM 1319 CB PRO 84 14.519 -11.877 -38.102 1.00 23.05 ATOM 1320 HB1 PRO 84 13.842 -11.554 -38.879 1.00 37.95 ATOM 1321 HB2 PRO 84 15.539 -11.796 -38.458 1.00 5.44 ATOM 1322 CG PRO 84 14.311 -11.091 -36.853 1.00 72.32 ATOM 1323 HG1 PRO 84 14.039 -10.075 -37.099 1.00 37.95 ATOM 1324 HG2 PRO 84 15.211 -11.106 -36.255 1.00 34.42 ATOM 1325 CD PRO 84 13.186 -11.769 -36.121 1.00 13.44 ATOM 1326 HD1 PRO 84 12.239 -11.329 -36.399 1.00 37.95 ATOM 1327 HD2 PRO 84 13.343 -11.681 -35.064 1.00 61.53 ATOM 1328 C PRO 84 15.458 -14.074 -37.332 1.00 44.24 ATOM 1329 O PRO 84 16.081 -13.785 -36.310 1.00 2.23 ATOM 1330 N LEU 85 15.838 -15.040 -38.161 1.00 32.42 ATOM 1331 HN LEU 85 15.323 -15.212 -38.981 1.00 37.95 ATOM 1332 CA LEU 85 17.035 -15.836 -37.911 1.00 51.23 ATOM 1333 HA LEU 85 17.514 -15.493 -37.003 1.00 73.54 ATOM 1334 CB LEU 85 16.664 -17.309 -37.731 1.00 10.10 ATOM 1335 HB1 LEU 85 17.489 -17.779 -37.211 1.00 37.95 ATOM 1336 HB2 LEU 85 16.584 -17.773 -38.711 1.00 72.21 ATOM 1337 CG LEU 85 15.378 -17.587 -36.952 1.00 52.40 ATOM 1338 HG LEU 85 15.200 -16.785 -36.247 1.00 60.11 ATOM 1339 CD1 LEU 85 14.186 -17.649 -37.894 1.00 71.45 ATOM 1340 HD11 LEU 85 13.294 -17.893 -37.331 1.00 35.01 ATOM 1341 HD12 LEU 85 14.352 -18.412 -38.641 1.00 33.01 ATOM 1342 HD13 LEU 85 14.043 -16.703 -38.379 1.00 25.35 ATOM 1343 CD2 LEU 85 15.503 -18.880 -36.160 1.00 73.12 ATOM 1344 HD21 LEU 85 14.596 -19.050 -35.597 1.00 32.22 ATOM 1345 HD22 LEU 85 16.337 -18.807 -35.476 1.00 4.24 ATOM 1346 HD23 LEU 85 15.666 -19.709 -36.836 1.00 44.05 ATOM 1347 C LEU 85 18.035 -15.688 -39.053 1.00 40.35 ATOM 1348 O LEU 85 17.798 -14.947 -40.007 1.00 73.12 ATOM 1349 N ALA 86 19.153 -16.399 -38.950 1.00 50.22 ATOM 1350 HN ALA 86 19.307 -16.964 -38.159 1.00 37.95 ATOM 1351 CA ALA 86 20.187 -16.350 -39.976 1.00 41.23 ATOM 1352 HA ALA 86 19.854 -15.712 -40.788 1.00 21.00 ATOM 1353 CB ALA 86 21.459 -15.731 -39.415 1.00 33.01 ATOM 1354 HB1 ALA 86 21.206 -15.024 -38.636 1.00 30.53 ATOM 1355 HB2 ALA 86 21.968 -15.207 -40.205 1.00 0.41 ATOM 1356 HB3 ALA 86 22.110 -16.495 -39.006 1.00 13.04 ATOM 1357 C ALA 86 20.474 -17.740 -40.533 1.00 42.03 ATOM 1358 O ALA 86 21.029 -18.595 -39.841 1.00 51.14 ATOM 1359 N LEU 87 20.093 -17.960 -41.787 1.00 31.34 ATOM 1360 HN LEU 87 19.712 -17.218 -42.301 1.00 37.95 ATOM 1361 CA LEU 87 20.309 -19.248 -42.437 1.00 31.22 ATOM 1362 HA LEU 87 19.719 -19.989 -41.915 1.00 44.14 ATOM 1363 CB LEU 87 19.856 -19.187 -43.897 1.00 31.04 ATOM 1364 HB1 LEU 87 20.275 -20.048 -44.410 1.00 37.95 ATOM 1365 HB2 LEU 87 20.279 -18.297 -44.346 1.00 42.40 ATOM 1366 CG LEU 87 18.345 -19.191 -44.131 1.00 51.42 ATOM 1367 HG LEU 87 17.877 -19.882 -43.443 1.00 23.10 ATOM 1368 CD1 LEU 87 17.762 -17.810 -43.876 1.00 12.53 ATOM 1369 HD11 LEU 87 18.348 -17.058 -44.389 1.00 0.32 ATOM 1370 HD12 LEU 87 17.762 -17.610 -42.817 1.00 5.44 ATOM 1371 HD13 LEU 87 16.741 -17.771 -44.236 1.00 13.31 ATOM 1372 CD2 LEU 87 18.026 -19.653 -45.545 1.00 71.14 ATOM 1373 HD21 LEU 87 18.423 -20.647 -45.700 1.00 25.23 ATOM 1374 HD22 LEU 87 18.470 -18.974 -46.261 1.00 34.13 ATOM 1375 HD23 LEU 87 16.954 -19.673 -45.687 1.00 53.11 ATOM 1376 C LEU 87 21.777 -19.655 -42.365 1.00 22.12 ATOM 1377 O LEU 87 22.104 -20.842 -42.376 1.00 1.02 ATOM 1378 N ASP 88 22.657 -18.663 -42.289 1.00 25.11 ATOM 1379 HN ASP 88 22.353 -17.729 -42.339 1.00 37.95 ATOM 1380 CA ASP 88 24.091 -18.917 -42.211 1.00 63.44 ATOM 1381 HA ASP 88 24.356 -19.591 -43.019 1.00 74.32 ATOM 1382 CB ASP 88 24.872 -17.615 -42.391 1.00 5.21 ATOM 1383 HB1 ASP 88 24.381 -17.000 -43.132 1.00 37.95 ATOM 1384 HB2 ASP 88 25.870 -17.848 -42.730 1.00 74.44 ATOM 1385 CG ASP 88 24.980 -16.822 -41.103 1.00 64.30 ATOM 1386 OD1 ASP 88 26.012 -16.952 -40.411 1.00 43.52 ATOM 1387 OD2 ASP 88 24.034 -16.072 -40.787 1.00 75.24 ATOM 1388 C ASP 88 24.457 -19.565 -40.879 1.00 41.05 ATOM 1389 O ASP 88 23.925 -19.197 -39.833 1.00 20.35 ATOM 1390 N ALA 89 25.368 -20.532 -40.928 1.00 10.54 ATOM 1391 HN ALA 89 25.751 -20.793 -41.800 1.00 37.95 ATOM 1392 CA ALA 89 25.805 -21.230 -39.725 1.00 44.41 ATOM 1393 HA ALA 89 25.883 -20.507 -38.919 1.00 52.32 ATOM 1394 CB ALA 89 24.777 -22.275 -39.318 1.00 44.22 ATOM 1395 HB1 ALA 89 25.083 -22.746 -38.394 1.00 21.12 ATOM 1396 HB2 ALA 89 24.691 -23.023 -40.094 1.00 61.14 ATOM 1397 HB3 ALA 89 23.819 -21.797 -39.175 1.00 44.30 ATOM 1398 C ALA 89 27.169 -21.879 -39.933 1.00 23.12 ATOM 1399 O ALA 89 27.487 -22.340 -41.028 1.00 62.21 ATOM 1400 N ASN 90 27.972 -21.911 -38.874 1.00 11.12 ATOM 1401 HN ASN 90 27.667 -21.528 -38.019 1.00 37.95 ATOM 1402 CA ASN 90 29.303 -22.503 -38.941 1.00 71.11 ATOM 1403 HA ASN 90 29.449 -22.953 -39.915 1.00 41.12 ATOM 1404 CB ASN 90 30.373 -21.428 -38.742 1.00 50.32 ATOM 1405 HB1 ASN 90 30.288 -20.706 -39.541 1.00 37.95 ATOM 1406 HB2 ASN 90 31.355 -21.879 -38.785 1.00 15.35 ATOM 1407 CG ASN 90 30.216 -20.693 -37.425 1.00 24.01 ATOM 1408 OD1 ASN 90 29.283 -19.911 -37.244 1.00 74.45 ATOM 1409 ND2 ASN 90 31.133 -20.941 -36.497 1.00 31.45 ATOM 1410 HD21 ASN 90 31.859 -21.575 -36.695 1.00 52.13 ATOM 1411 HD22 ASN 90 31.049 -20.475 -35.639 1.00 44.52 ATOM 1412 C ASN 90 29.465 -23.598 -37.891 1.00 50.00 ATOM 1413 O ASN 90 28.566 -23.838 -37.085 1.00 22.53 ATOM 1414 N LYS 91 30.618 -24.259 -37.906 1.00 54.32 ATOM 1415 HN LYS 91 31.297 -24.031 -38.585 1.00 37.95 ATOM 1416 HA LYS 91 30.201 -26.131 -37.147 1.00 33.55 ATOM 1417 CB LYS 91 32.327 -25.845 -37.148 1.00 23.22 ATOM 1418 HB1 LYS 91 33.030 -25.136 -36.729 1.00 37.95 ATOM 1419 HB2 LYS 91 32.514 -25.927 -38.212 1.00 24.51 ATOM 1420 CG LYS 91 32.574 -27.200 -36.507 1.00 61.13 ATOM 1421 HG1 LYS 91 31.696 -27.826 -36.625 1.00 37.95 ATOM 1422 HG2 LYS 91 32.764 -27.051 -35.454 1.00 61.12 ATOM 1423 CD LYS 91 33.777 -27.896 -37.121 1.00 62.33 ATOM 1424 HD1 LYS 91 34.144 -28.631 -36.419 1.00 37.95 ATOM 1425 HD2 LYS 91 34.558 -27.174 -37.322 1.00 34.31 ATOM 1426 CE LYS 91 33.411 -28.603 -38.417 1.00 53.04 ATOM 1427 HE1 LYS 91 32.968 -27.888 -39.097 1.00 37.95 ATOM 1428 HE2 LYS 91 32.695 -29.381 -38.199 1.00 2.24 ATOM 1429 NZ LYS 91 34.601 -29.214 -39.072 1.00 12.32 ATOM 1430 HZ1 LYS 91 35.040 -29.917 -38.442 1.00 43.34 ATOM 1431 HZ2 LYS 91 35.305 -28.482 -39.301 1.00 15.43 ATOM 1432 HZ3 LYS 91 34.316 -29.688 -39.953 1.00 73.51 ATOM 1433 CA LYS 91 30.900 -25.327 -36.955 1.00 23.00 ATOM 1434 C LYS 91 30.714 -24.842 -35.521 1.00 33.11 ATOM 1435 OT1 LYS 91 31.350 -23.831 -35.147 1.00 37.95 ATOM 1436 OT2 LYS 91 29.933 -25.476 -34.779 1.00 37.95 ATOM 1437 OH2 TIP3 1 2.169 -35.196 -40.453 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 2.120 -36.151 -40.490 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 1.343 -34.928 -40.051 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -0.549 -31.328 -39.346 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -0.349 -30.904 -40.181 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 0.107 -30.985 -38.739 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 -0.184 -34.045 -39.740 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 -0.966 -34.231 -40.260 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 -0.256 -33.116 -39.523 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -1.995 -37.965 -29.133 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 -2.436 -38.685 -28.683 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 -2.008 -37.244 -28.503 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -4.837 -37.558 -31.811 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -5.133 -37.880 -32.662 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -5.161 -36.658 -31.769 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -2.072 -36.443 -31.651 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -2.329 -37.133 -32.263 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -2.001 -36.886 -30.806 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -0.386 -37.877 -23.174 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -0.246 -38.468 -23.913 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -0.218 -37.004 -23.530 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 1.456 -41.537 -25.108 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 0.804 -40.842 -25.019 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 1.921 -41.327 -25.918 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 -4.186 -35.803 -26.200 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 -4.427 -35.141 -25.552 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 -4.384 -36.637 -25.775 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -5.910 -34.806 -31.330 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -5.436 -34.511 -30.552 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -6.473 -34.068 -31.563 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 1.252 -35.427 -36.575 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 1.325 -34.488 -36.405 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 2.157 -35.732 -36.632 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -6.438 -31.850 -32.915 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -6.513 -31.971 -33.861 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 -6.405 -30.900 -32.796 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -3.336 -32.696 -35.912 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -2.961 -33.440 -36.383 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -3.332 -32.966 -34.994 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -3.667 -32.770 -33.163 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -4.602 -32.670 -32.984 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 -3.387 -33.479 -32.585 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -0.679 -43.703 -21.117 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -1.086 -43.222 -21.837 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -0.638 -44.608 -21.424 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -0.601 -39.713 -25.259 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 0.041 -39.256 -25.802 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -1.431 -39.600 -25.721 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -3.981 -36.200 -22.858 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -4.882 -36.017 -23.126 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -3.947 -35.941 -21.937 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 0.046 -35.169 -34.026 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -0.327 -35.995 -33.716 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 0.323 -35.352 -34.923 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -2.794 -40.361 -27.004 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -3.722 -40.593 -27.031 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -2.343 -41.138 -27.334 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -8.309 -34.221 -24.980 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -7.946 -33.366 -25.213 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -7.777 -34.513 -24.239 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 -10.140 -33.348 -31.750 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 -11.090 -33.243 -31.698 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 -9.789 -32.528 -31.405 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 -4.765 -38.122 -25.279 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 -5.191 -38.349 -24.453 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 -4.184 -38.860 -25.462 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -2.106 -33.570 -22.810 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -2.708 -34.125 -23.305 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -1.825 -32.903 -23.436 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -6.796 -34.813 -34.553 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -7.613 -34.316 -34.500 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 -6.267 -34.338 -35.193 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -9.458 -33.770 -34.571 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -9.297 -32.970 -35.072 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -9.655 -33.463 -33.686 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -3.948 -35.346 -20.266 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -4.299 -36.202 -20.023 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -3.222 -35.203 -19.659 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -1.829 -34.401 -37.386 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -1.546 -35.195 -36.933 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -1.089 -34.168 -37.947 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -2.825 -38.949 -22.845 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -2.080 -38.361 -22.965 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -3.582 -38.367 -22.782 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -2.370 -40.858 -20.946 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -2.651 -40.149 -21.524 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -1.427 -40.931 -21.097 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -8.756 -31.585 -35.959 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 -7.823 -31.427 -35.815 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -9.020 -30.910 -36.584 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 -0.106 -37.309 -19.054 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 -0.972 -37.414 -18.660 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 0.270 -36.550 -18.607 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 1.195 -39.052 -33.540 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 2.045 -38.631 -33.412 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 1.200 -39.792 -32.932 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 0.232 -40.508 -21.514 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 0.815 -41.242 -21.323 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 0.796 -39.736 -21.468 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 1.729 -42.605 -20.830 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 0.866 -42.984 -20.995 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 2.333 -43.344 -20.904 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -6.732 -33.273 -21.281 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -6.547 -33.607 -20.403 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -5.885 -32.964 -21.603 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -4.387 -31.988 -22.037 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -3.710 -32.620 -22.277 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -4.065 -31.586 -21.229 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -6.463 -31.928 -25.987 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -6.920 -31.399 -26.641 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -6.300 -31.325 -25.262 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -4.136 -33.050 -25.042 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -5.040 -32.885 -25.308 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -3.707 -32.197 -25.108 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 -9.548 -33.613 -27.779 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 -9.335 -34.501 -28.066 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -9.483 -33.647 -26.824 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 -6.111 -32.359 -35.714 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -5.245 -31.993 -35.892 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 -6.358 -32.799 -36.527 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 -2.507 -40.705 -13.594 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 -3.239 -40.477 -13.021 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 -2.060 -41.419 -13.139 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 1.252 -35.427 -17.719 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 1.325 -34.488 -17.549 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 2.157 -35.732 -17.776 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 2.169 -35.196 -2.741 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 2.120 -36.151 -2.778 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 1.343 -34.928 -2.339 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 -3.336 -32.696 -17.056 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 -2.961 -33.440 -17.527 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 -3.332 -32.966 -16.138 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 -2.159 -40.510 -18.279 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 -2.117 -40.733 -19.209 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 -1.310 -40.112 -18.089 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 1.750 -43.955 -15.635 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 1.196 -44.351 -16.307 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 1.851 -43.045 -15.912 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 0.046 -35.169 -15.170 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 -0.327 -35.995 -14.860 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 0.323 -35.352 -16.067 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 -2.562 -37.193 -17.349 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 -2.209 -37.573 -16.545 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 -3.511 -37.286 -17.263 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -1.696 -38.520 -15.123 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -1.973 -39.248 -14.567 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -0.769 -38.401 -14.917 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -1.829 -34.401 -18.530 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -1.546 -35.195 -18.077 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -1.089 -34.168 -19.091 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 1.880 -32.666 -7.758 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 1.858 -32.481 -6.819 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 2.570 -32.097 -8.099 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 1.443 -33.099 -4.836 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 0.956 -33.834 -5.207 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 1.992 -33.492 -4.158 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 1.195 -39.052 -14.684 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 2.045 -38.631 -14.556 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 1.200 -39.792 -14.076 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 1.589 -40.999 -12.860 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 0.863 -41.478 -12.462 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 2.170 -40.793 -12.128 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 0.206 -43.858 -17.918 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 0.303 -43.191 -18.598 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 0.066 -44.674 -18.400 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -1.382 -32.576 -12.186 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -0.729 -32.923 -12.794 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -0.871 -32.087 -11.540 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 0.598 -32.796 -14.178 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 0.404 -33.544 -14.743 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 0.559 -32.038 -14.762 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 2.169 -16.340 -40.453 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 2.120 -17.295 -40.490 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 1.343 -16.072 -40.051 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 -3.686 -24.791 -37.880 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 -3.494 -25.722 -37.991 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 -2.829 -24.366 -37.890 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 -3.264 -28.506 -38.072 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 -3.361 -29.458 -38.078 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 -3.586 -28.237 -37.211 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 -8.303 -29.612 -37.991 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -8.434 -30.088 -38.812 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -8.902 -28.868 -38.047 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -0.106 -18.453 -37.910 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -0.972 -18.558 -37.516 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 0.270 -17.694 -37.463 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 1.729 -23.749 -39.686 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 0.866 -24.128 -39.851 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 2.333 -24.488 -39.760 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 2.010 -30.741 -37.981 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 2.360 -31.395 -38.587 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 2.157 -29.904 -38.421 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 1.530 -28.632 -39.632 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 0.613 -28.361 -39.668 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 1.653 -29.167 -40.416 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -3.360 -31.262 -38.433 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -3.284 -31.688 -37.579 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -2.467 -31.248 -38.775 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -0.184 -15.189 -39.740 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -0.966 -15.375 -40.260 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -0.256 -14.260 -39.523 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -4.634 -21.303 -30.854 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -4.545 -20.359 -30.986 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -5.273 -21.578 -31.512 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -4.884 -14.004 -28.921 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -4.264 -14.681 -29.194 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -5.092 -14.222 -28.013 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -7.312 -19.615 -27.029 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -7.008 -20.301 -27.623 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -6.590 -19.497 -26.411 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -11.016 -27.120 -29.429 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -10.973 -26.260 -29.847 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -11.474 -27.672 -30.062 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -9.240 -23.173 -29.451 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -8.624 -23.699 -28.942 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -9.826 -23.813 -29.855 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -4.837 -18.702 -31.811 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -5.133 -19.024 -32.662 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -5.161 -17.802 -31.769 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -9.637 -20.526 -25.067 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -10.377 -19.928 -24.964 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -8.923 -19.972 -25.383 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -11.229 -18.562 -24.280 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -11.235 -17.683 -24.658 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -12.083 -18.645 -23.855 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -8.180 -30.896 -27.902 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -8.297 -31.845 -27.956 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -9.035 -30.564 -27.629 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -3.231 -15.488 -30.160 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -2.806 -16.195 -30.645 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -2.914 -14.687 -30.577 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -2.072 -17.587 -31.651 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -2.329 -18.277 -32.263 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -2.001 -18.030 -30.806 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -5.913 -22.059 -33.402 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -6.625 -21.524 -33.753 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -5.222 -22.003 -34.062 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -5.859 -23.601 -36.363 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -5.158 -23.579 -35.712 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -5.557 -24.229 -37.019 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -2.507 -21.849 -32.450 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -3.239 -21.621 -31.877 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -2.060 -22.563 -31.995 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -9.495 -17.791 -27.886 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -9.590 -18.369 -28.643 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -8.766 -18.162 -27.390 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -10.495 -22.450 -26.934 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -9.930 -22.329 -27.697 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -10.176 -21.813 -26.295 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -4.186 -16.947 -26.200 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -4.427 -16.285 -25.552 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -4.384 -17.781 -25.775 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -9.615 -18.051 -22.217 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -9.927 -17.269 -21.761 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -10.265 -18.204 -22.903 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -3.636 -22.687 -34.765 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -3.057 -22.537 -34.018 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -3.222 -22.216 -35.488 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -12.695 -21.853 -22.988 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -12.625 -21.202 -22.290 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -13.586 -21.750 -23.323 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -5.910 -15.950 -31.330 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -5.436 -15.655 -30.552 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -6.473 -15.212 -31.563 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -11.376 -15.979 -21.453 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -11.368 -16.115 -22.401 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -12.292 -16.097 -21.201 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 1.252 -16.571 -36.575 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 1.325 -15.632 -36.405 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 2.157 -16.876 -36.632 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -3.667 -13.914 -33.163 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -4.602 -13.814 -32.984 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -3.387 -14.623 -32.585 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -10.911 -29.993 -27.124 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -11.772 -30.080 -27.532 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -10.933 -29.137 -26.697 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -6.248 -30.271 -23.750 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -5.828 -30.686 -22.997 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -7.181 -30.449 -23.633 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -2.159 -21.654 -37.135 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -2.117 -21.877 -38.065 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -1.310 -21.256 -36.945 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -6.586 -27.778 -36.465 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -6.840 -27.759 -35.542 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -6.843 -28.650 -36.766 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -10.820 -25.027 -26.029 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -11.462 -25.068 -25.320 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -10.783 -24.101 -26.267 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -10.823 -24.806 -31.117 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -11.716 -25.147 -31.176 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -10.372 -25.183 -31.873 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -9.704 -27.333 -37.364 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -10.135 -27.778 -36.634 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -10.422 -26.961 -37.876 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -9.760 -25.750 -33.548 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -8.828 -25.621 -33.370 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -9.975 -25.080 -34.197 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -6.921 -24.591 -28.144 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -6.357 -25.138 -28.691 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -7.069 -25.113 -27.355 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -11.919 -28.455 -31.726 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -12.236 -29.357 -31.761 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -11.138 -28.453 -32.278 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -8.295 -26.203 -25.730 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -9.130 -25.749 -25.620 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -7.771 -25.927 -24.978 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -3.853 -27.176 -35.846 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -4.791 -27.064 -35.997 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -3.556 -26.319 -35.540 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -8.601 -22.717 -20.748 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -8.897 -22.883 -21.643 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -7.670 -22.937 -20.758 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 0.046 -16.313 -34.026 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -0.327 -17.139 -33.716 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 0.323 -16.496 -34.923 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -8.824 -19.514 -31.295 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -9.065 -18.589 -31.253 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -9.564 -19.973 -30.899 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -8.309 -15.365 -24.980 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -7.946 -14.510 -25.213 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -7.777 -15.657 -24.239 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -2.562 -18.337 -36.205 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -2.209 -18.717 -35.401 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -3.511 -18.430 -36.119 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 1.942 -13.857 -36.004 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 2.685 -13.271 -36.144 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 1.247 -13.289 -35.671 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -1.696 -19.664 -33.979 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -1.973 -20.392 -33.423 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -0.769 -19.545 -33.773 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -10.724 -28.216 -34.955 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -10.807 -27.327 -34.609 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -9.834 -28.481 -34.724 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -10.525 -14.870 -18.995 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -9.757 -15.329 -18.654 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -10.546 -15.096 -19.925 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -8.560 -20.009 -20.228 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -8.888 -19.738 -21.086 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -8.408 -20.950 -20.316 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -10.436 -23.770 -22.867 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -11.054 -23.095 -22.586 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -10.092 -23.449 -23.700 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -8.654 -23.420 -36.960 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -8.834 -23.574 -37.888 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -7.703 -23.312 -36.916 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -5.416 -21.299 -19.589 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -4.463 -21.215 -19.617 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -5.576 -22.010 -18.970 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 0.736 -21.065 -37.515 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 0.463 -21.490 -38.328 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 0.776 -20.134 -37.732 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -10.096 -26.415 -21.784 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -9.946 -27.144 -22.387 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -10.094 -25.638 -22.343 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -9.684 -28.045 -24.292 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -9.148 -27.594 -24.944 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -10.536 -28.153 -24.714 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 -11.618 -25.217 -19.873 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 -12.385 -25.749 -20.083 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 -10.939 -25.527 -20.472 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -8.878 -30.589 -23.860 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -8.976 -29.642 -23.966 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -9.621 -30.961 -24.336 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -7.614 -26.267 -20.297 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -7.850 -26.487 -19.395 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -8.397 -26.474 -20.806 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -4.898 -27.140 -21.221 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -5.846 -27.108 -21.089 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -4.586 -27.765 -20.567 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 1.857 -22.242 -35.325 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 1.336 -21.885 -36.044 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 1.824 -21.567 -34.647 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 0.206 -25.002 -36.774 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 0.303 -24.335 -37.454 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 0.066 -25.818 -37.256 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -0.546 -27.594 -37.657 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 0.064 -27.966 -37.020 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -1.383 -28.016 -37.461 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -1.382 -13.720 -31.042 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -0.729 -14.067 -31.650 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -0.871 -13.231 -30.396 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -11.043 -15.816 -24.240 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -11.468 -15.007 -24.523 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -10.138 -15.731 -24.542 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -4.387 -13.132 -22.037 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -3.710 -13.764 -22.277 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -4.065 -12.730 -21.229 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -6.463 -13.072 -25.987 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -6.920 -12.543 -26.641 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -6.300 -12.469 -25.262 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -9.133 -30.532 -30.999 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -8.259 -30.144 -31.029 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -9.269 -30.747 -30.076 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 0.598 -13.940 -33.034 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 0.404 -14.688 -33.599 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 0.559 -13.182 -33.618 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -3.360 -31.262 -19.577 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -3.284 -31.688 -18.723 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -2.467 -31.248 -19.919 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -4.634 -21.303 -11.998 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -4.545 -20.359 -12.130 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -5.273 -21.578 -12.656 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -1.995 -19.109 -10.277 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -2.436 -19.829 -9.827 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -2.008 -18.388 -9.647 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 1.351 -28.014 -7.312 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 1.400 -27.404 -6.576 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 1.777 -27.553 -8.035 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -3.294 -26.989 -12.172 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -2.648 -27.318 -11.547 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -2.784 -26.471 -12.795 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 1.743 -26.536 -5.076 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 1.054 -25.878 -5.171 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 1.758 -26.733 -4.139 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -4.837 -18.702 -12.955 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -5.133 -19.024 -13.806 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -5.161 -17.802 -12.913 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -1.530 -27.698 -10.191 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -1.745 -28.464 -9.659 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 -0.874 -27.226 -9.678 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -1.483 -17.269 -7.929 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -2.425 -17.211 -7.768 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -1.207 -16.363 -8.066 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -3.231 -15.488 -11.304 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -2.806 -16.195 -11.789 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -2.914 -14.687 -11.721 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -2.072 -17.587 -12.795 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -2.329 -18.277 -13.407 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -2.001 -18.030 -11.950 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -0.386 -19.021 -4.318 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -0.246 -19.612 -5.057 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -0.218 -18.148 -4.674 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -5.913 -22.059 -14.546 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -6.625 -21.524 -14.897 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -5.222 -22.003 -15.206 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -5.859 -23.601 -17.507 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -5.158 -23.579 -16.856 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -5.557 -24.229 -18.163 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 1.456 -22.681 -6.252 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 0.804 -21.986 -6.163 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 1.921 -22.471 -7.062 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -5.910 -15.950 -12.474 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -5.436 -15.655 -11.696 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -6.473 -15.212 -12.707 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 0.062 -30.937 -16.096 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -0.837 -30.798 -15.801 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 0.314 -30.106 -16.498 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -6.438 -12.994 -14.059 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -6.513 -13.115 -15.005 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -6.405 -12.044 -13.940 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -3.667 -13.914 -14.307 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -4.602 -13.814 -14.128 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -3.387 -14.623 -13.729 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -6.586 -27.778 -17.609 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 -6.840 -27.759 -16.686 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -6.843 -28.650 -17.910 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -5.287 -24.390 -13.444 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -5.696 -23.575 -13.736 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -4.567 -24.530 -14.059 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 -4.283 -24.944 -10.630 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 -4.478 -24.339 -11.345 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 -4.101 -25.778 -11.065 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 -9.704 -27.333 -18.508 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -10.135 -27.778 -17.778 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 -10.422 -26.961 -19.020 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -7.751 -19.990 -15.189 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -8.495 -20.497 -15.512 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -7.885 -19.941 -14.243 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -0.601 -20.857 -6.403 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 0.041 -20.400 -6.946 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -1.431 -20.744 -6.865 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -3.853 -27.176 -16.990 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -4.791 -27.064 -17.141 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -3.556 -26.319 -16.684 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -5.625 -18.531 -16.164 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -5.920 -17.705 -15.782 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -6.328 -19.151 -15.968 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 -2.794 -21.505 -8.148 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 -3.722 -21.737 -8.175 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 -2.343 -22.282 -8.478 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -9.534 -17.655 -16.446 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -9.387 -18.175 -15.656 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -9.537 -16.748 -16.140 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -4.465 -28.088 -14.560 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -4.245 -27.616 -15.363 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -3.907 -27.693 -13.889 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -6.796 -15.957 -15.697 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -7.613 -15.460 -15.644 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -6.267 -15.482 -16.337 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -7.265 -26.360 -13.725 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -6.453 -25.856 -13.679 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -7.510 -26.505 -12.811 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -9.458 -14.914 -15.715 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -9.297 -14.114 -16.216 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -9.655 -14.607 -14.830 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -1.923 -23.716 -9.609 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -2.720 -24.131 -9.938 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -1.478 -24.407 -9.118 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 -12.465 -17.788 -17.039 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -11.873 -17.089 -16.763 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -12.006 -18.221 -17.758 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -0.836 -14.460 -7.987 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -0.992 -13.782 -8.644 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 0.096 -14.388 -7.784 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -10.874 -19.635 -18.673 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -10.810 -20.429 -18.142 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -10.221 -19.754 -19.362 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 -9.725 -21.663 -16.367 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 -10.184 -22.147 -15.681 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 -9.470 -22.331 -17.003 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -8.654 -23.420 -18.104 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -8.834 -23.574 -19.032 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -7.703 -23.312 -18.060 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 -8.756 -12.729 -17.103 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 -7.823 -12.571 -16.959 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 -9.020 -12.054 -17.728 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 1.880 -13.810 -7.758 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 1.858 -13.625 -6.819 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 2.570 -13.241 -8.099 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 1.443 -14.243 -4.836 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 0.956 -14.978 -5.207 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 1.992 -14.636 -4.158 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -0.106 -18.453 -0.198 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -0.972 -18.558 0.196 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 0.270 -17.694 0.249 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 1.348 -19.358 -7.912 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 2.182 -19.736 -8.193 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 1.460 -18.415 -8.031 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -0.165 -16.480 -5.605 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -0.813 -16.155 -4.980 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -0.683 -16.920 -6.280 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 0.232 -21.652 -2.658 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 0.815 -22.386 -2.467 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 0.796 -20.880 -2.612 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 1.729 -23.749 -1.974 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 0.866 -24.128 -2.139 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 2.333 -24.488 -2.048 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -0.914 -26.039 -13.835 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -0.634 -26.946 -13.710 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -0.155 -25.605 -14.224 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -0.302 -25.458 -8.399 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 0.631 -25.246 -8.433 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -0.537 -25.356 -7.476 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -0.273 -24.721 -5.623 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -1.116 -24.453 -5.257 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 0.170 -23.899 -5.834 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -0.300 -28.776 -13.786 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 -0.118 -29.225 -12.961 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 -0.900 -29.361 -14.250 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 -1.382 -13.720 -12.186 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 -0.729 -14.067 -12.794 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 -0.871 -13.231 -11.540 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 0.531 -30.542 -4.101 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -0.282 -30.217 -4.489 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 0.764 -31.302 -4.634 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -1.531 -12.624 -5.891 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -1.713 -11.708 -6.102 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -1.355 -13.034 -6.738 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 -0.897 -30.986 -9.666 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 -0.293 -30.438 -10.167 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 -1.766 -30.666 -9.906 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 0.830 -29.847 -11.332 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 1.442 -30.361 -11.859 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 1.213 -28.969 -11.309 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 -2.223 -30.476 -14.801 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 -2.926 -29.862 -15.011 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 -2.668 -31.314 -14.670 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 -6.111 -13.503 -16.858 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 -5.245 -13.137 -17.036 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 -6.358 -13.943 -17.671 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 -0.184 -15.189 -2.028 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 -0.966 -15.375 -2.548 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 -0.256 -14.260 -1.811 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 1.252 -16.571 1.137 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 1.325 -15.632 1.307 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 2.157 -16.876 1.080 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 1.942 -13.857 1.708 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 2.685 -13.271 1.568 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 1.247 -13.289 2.041 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 0.736 -21.065 0.197 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 0.463 -21.490 -0.616 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 0.776 -20.134 -0.020 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 1.857 -22.242 2.387 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 1.336 -21.885 1.668 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 1.824 -21.567 3.065 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 2.010 -11.885 -37.981 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 2.360 -12.539 -38.587 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 2.157 -11.048 -38.421 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 1.351 -9.158 -26.168 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 1.400 -8.548 -25.432 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 1.777 -8.697 -26.891 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -3.294 -8.133 -31.028 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -2.648 -8.462 -30.403 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -2.784 -7.615 -31.651 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 1.743 -7.680 -23.932 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 1.054 -7.022 -24.027 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 1.758 -7.877 -22.995 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -1.530 -8.842 -29.047 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -1.745 -9.608 -28.515 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -0.874 -8.370 -28.534 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 1.456 -3.825 -25.108 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 0.804 -3.130 -25.019 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 1.921 -3.615 -25.918 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 0.062 -12.081 -34.952 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 -0.837 -11.942 -34.657 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 0.314 -11.250 -35.354 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 -0.679 -5.991 -21.117 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 -1.086 -5.510 -21.837 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 -0.638 -6.896 -21.424 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 -6.248 -11.415 -23.750 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 -5.828 -11.830 -22.997 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 -7.181 -11.593 -23.633 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 -2.922 -7.659 -22.896 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 -3.436 -7.785 -22.099 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 -3.077 -6.747 -23.141 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 -3.836 -9.288 -26.767 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 -4.513 -9.157 -26.103 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 -4.322 -9.443 -27.577 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 -5.249 -8.884 -24.513 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 -4.551 -8.810 -23.863 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 -5.630 -9.748 -24.358 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 -0.525 -8.611 -22.561 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 -1.441 -8.348 -22.649 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 -0.189 -8.614 -23.458 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 -3.686 -5.935 -19.024 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 -3.494 -6.866 -19.135 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 -2.829 -5.510 -19.034 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 -8.878 -11.733 -23.860 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 -8.976 -10.786 -23.966 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 -9.621 -12.105 -24.336 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 -4.898 -8.284 -21.221 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 -5.846 -8.252 -21.089 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 -4.586 -8.909 -20.567 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 -3.264 -9.650 -19.216 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 -3.361 -10.602 -19.222 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 -3.586 -9.381 -18.355 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 -8.656 -12.439 -21.189 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 -7.944 -13.079 -21.203 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 -8.757 -12.172 -22.103 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 -8.303 -10.756 -19.135 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 -8.434 -11.232 -19.956 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 -8.902 -10.012 -19.191 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 1.729 -4.893 -20.830 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 0.866 -5.272 -20.995 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 2.333 -5.632 -20.904 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 -0.302 -6.602 -27.255 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 0.631 -6.390 -27.289 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 -0.537 -6.500 -26.332 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 -0.273 -5.865 -24.479 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 -1.116 -5.597 -24.113 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 0.170 -5.043 -24.690 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 -0.300 -9.920 -32.642 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 -0.118 -10.369 -31.817 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 -0.900 -10.505 -33.106 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 1.566 -9.853 -36.114 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 1.979 -10.574 -36.590 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 2.248 -9.183 -36.056 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 -6.039 -10.237 -28.634 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 -6.714 -10.866 -28.379 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 -5.475 -10.721 -29.237 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 0.830 -10.991 -30.188 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 1.442 -11.505 -30.715 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 1.213 -10.113 -30.165 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 -3.576 -11.646 -29.350 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 -3.500 -11.551 -30.299 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 -3.852 -12.554 -29.221 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 -2.223 -11.620 -33.657 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 -2.926 -11.006 -33.867 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 -2.668 -12.458 -33.526 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 -3.360 -12.406 -19.577 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 -3.284 -12.832 -18.723 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 -2.467 -12.392 -19.919 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 1.351 -9.158 -7.312 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 1.400 -8.548 -6.576 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 1.777 -8.697 -8.035 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 -1.530 -8.842 -10.191 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 -1.745 -9.608 -9.659 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 -0.874 -8.370 -9.678 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -1.183 -10.127 -6.512 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -1.919 -9.516 -6.550 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -0.499 -9.712 -7.038 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 -3.853 -8.320 -16.990 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 -4.791 -8.208 -17.141 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 -3.556 -7.463 -16.684 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 1.750 -6.243 -15.635 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 1.196 -6.639 -16.307 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 1.851 -5.333 -15.912 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 0.206 -6.146 -17.918 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 0.303 -5.479 -18.598 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 0.066 -6.962 -18.400 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 2.010 -11.885 -0.269 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 2.360 -12.539 -0.875 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 2.157 -11.048 -0.709 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 -0.300 -9.920 -13.786 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 -0.118 -10.369 -12.961 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 -0.900 -10.505 -14.250 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 0.531 -11.686 -4.101 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 -0.282 -11.361 -4.489 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 0.764 -12.446 -4.634 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 -0.897 -12.130 -9.666 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 -0.293 -11.582 -10.167 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 -1.766 -11.810 -9.906 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 0.830 -10.991 -11.332 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 1.442 -11.505 -11.859 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 1.213 -10.113 -11.309 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 -3.576 -11.646 -10.494 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 -3.500 -11.551 -11.443 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 -3.852 -12.554 -10.365 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 -2.223 -11.620 -14.801 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 -2.926 -11.006 -15.011 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 -2.668 -12.458 -14.670 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 7.480 -34.835 -40.309 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 7.488 -34.971 -41.257 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 6.564 -34.953 -40.057 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 5.905 -38.854 -39.738 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 6.638 -38.600 -39.177 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 5.125 -38.650 -39.223 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 3.734 -32.645 -39.471 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 4.274 -32.862 -38.712 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 3.253 -33.451 -39.661 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 3.641 -38.835 -38.517 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 3.785 -39.737 -38.803 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 2.868 -38.549 -39.005 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 4.859 -35.647 -39.355 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 4.038 -35.472 -39.815 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 4.607 -35.720 -38.434 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 12.124 -33.273 -40.137 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 12.309 -33.607 -39.259 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 12.971 -32.964 -40.459 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 14.222 -40.159 -30.854 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 14.311 -39.215 -30.986 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 13.583 -40.434 -31.512 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 5.523 -41.289 -25.842 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 5.565 -41.915 -25.118 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 6.226 -40.666 -25.660 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 16.861 -37.965 -29.133 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 16.420 -38.685 -28.683 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 16.848 -37.244 -28.503 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 3.767 -41.017 -29.788 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 3.981 -41.787 -29.261 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 4.505 -40.928 -30.391 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 14.685 -44.077 -26.701 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 14.828 -45.024 -26.681 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 14.579 -43.870 -27.630 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 4.460 -43.579 -28.667 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 5.114 -44.129 -28.235 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 4.484 -43.853 -29.583 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 9.616 -42.029 -29.451 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 10.232 -42.555 -28.942 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 9.030 -42.669 -29.855 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 6.244 -45.166 -27.402 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 6.857 -44.533 -27.029 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 6.756 -45.638 -28.059 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 3.748 -37.747 -33.498 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 3.476 -37.518 -34.387 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 3.793 -36.909 -33.038 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 17.373 -36.125 -26.785 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 16.431 -36.067 -26.624 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 17.649 -35.219 -26.922 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 16.784 -36.443 -31.651 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 16.527 -37.133 -32.263 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 16.855 -36.886 -30.806 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 18.470 -37.877 -23.174 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 18.610 -38.468 -23.913 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 18.638 -37.004 -23.530 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 12.943 -40.915 -33.402 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 12.231 -40.380 -33.753 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 13.634 -40.859 -34.062 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 16.349 -40.705 -32.450 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 15.617 -40.477 -31.877 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 16.796 -41.419 -31.995 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 16.246 -42.531 -23.382 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 16.326 -41.768 -22.810 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 15.645 -42.252 -24.073 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 6.984 -41.005 -32.978 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 6.692 -40.237 -33.469 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 6.310 -41.665 -33.141 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 3.077 -38.642 -24.163 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 2.576 -38.670 -24.978 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 3.083 -39.548 -23.853 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 21.025 -35.196 -21.597 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 20.976 -36.151 -21.634 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 20.199 -34.928 -21.195 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 15.520 -32.696 -35.912 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 15.895 -33.440 -36.383 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 15.524 -32.966 -34.994 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 8.036 -43.883 -26.029 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 7.394 -43.924 -25.320 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 8.073 -42.957 -26.267 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 8.033 -43.662 -31.117 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 7.140 -44.003 -31.176 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 8.484 -44.039 -31.873 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 13.569 -43.246 -32.300 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 13.160 -42.431 -32.592 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 14.289 -43.386 -32.915 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 12.671 -43.071 -20.812 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 12.108 -43.775 -20.492 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 13.497 -43.191 -20.345 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 14.573 -43.800 -29.486 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 14.378 -43.195 -30.201 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 14.755 -44.634 -29.921 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 5.786 -43.563 -24.162 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 5.748 -43.163 -23.294 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 5.295 -44.380 -24.072 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 13.837 -42.162 -24.815 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 14.161 -42.793 -25.458 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 13.397 -42.697 -24.154 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 5.443 -44.606 -31.204 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 4.554 -44.506 -31.544 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 5.739 -45.448 -31.550 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 11.935 -43.447 -28.144 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 12.499 -43.994 -28.691 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 11.787 -43.969 -27.355 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 10.561 -45.059 -25.730 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 9.726 -44.605 -25.620 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 11.085 -44.783 -24.978 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 11.105 -38.846 -34.045 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 10.361 -39.353 -34.368 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 10.971 -38.797 -33.099 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 18.255 -39.713 -25.259 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 18.897 -39.256 -25.802 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 17.425 -39.600 -25.721 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 13.231 -37.387 -35.020 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 12.936 -36.561 -34.638 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 12.528 -38.007 -34.824 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 3.238 -41.090 -22.961 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 3.461 -41.508 -22.129 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 2.636 -41.703 -23.383 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 20.570 -38.155 -21.654 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 19.718 -37.917 -22.021 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 21.160 -38.172 -22.407 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 18.902 -35.169 -34.026 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 18.529 -35.995 -33.716 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 19.179 -35.352 -34.923 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 17.160 -38.520 -33.979 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 16.883 -39.248 -33.423 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 18.087 -38.401 -33.773 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 10.385 -36.081 -37.758 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 10.624 -36.829 -38.306 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 10.116 -36.469 -36.926 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 5.775 -39.258 -34.792 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 5.089 -38.906 -34.225 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 6.298 -38.495 -35.038 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 12.127 -44.230 -23.396 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 12.246 -43.656 -22.639 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 12.782 -44.918 -23.281 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 16.933 -42.572 -28.465 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 16.136 -42.987 -28.794 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 17.378 -43.263 -27.974 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 12.423 -34.218 -37.620 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 11.779 -34.849 -37.298 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 13.185 -34.749 -37.852 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 17.027 -34.401 -37.386 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 17.310 -35.195 -36.933 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 17.767 -34.168 -37.947 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 7.982 -38.491 -37.529 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 8.046 -39.285 -36.998 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 8.635 -38.610 -38.218 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 13.334 -37.444 -37.793 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 13.066 -37.264 -36.892 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 13.128 -38.370 -37.924 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 16.031 -38.949 -22.845 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 16.776 -38.361 -22.965 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 15.274 -38.367 -22.782 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 9.131 -40.519 -35.223 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 8.672 -41.003 -34.537 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 9.386 -41.187 -35.859 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 8.420 -42.626 -22.867 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 7.802 -41.951 -22.586 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 8.764 -42.305 -23.700 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 8.760 -45.271 -21.784 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 8.910 -46.000 -22.387 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 8.762 -44.494 -22.343 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 10.754 -41.462 -24.052 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 11.505 -41.618 -24.625 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 10.415 -40.610 -24.328 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 15.170 -43.647 -19.024 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 15.362 -44.578 -19.135 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 16.027 -43.222 -19.034 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 16.486 -40.858 -20.946 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 16.205 -40.149 -21.524 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 17.429 -40.931 -21.097 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 7.238 -44.073 -19.873 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 6.471 -44.605 -20.083 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 7.917 -44.383 -20.472 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 11.242 -45.123 -20.297 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 11.006 -45.343 -19.395 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 10.459 -45.330 -20.806 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 5.419 -46.152 -20.168 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 5.630 -46.859 -20.779 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 5.307 -46.590 -19.324 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 3.668 -36.949 -36.476 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 4.582 -36.870 -36.203 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 3.675 -37.636 -37.143 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 20.736 -32.666 -26.614 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 20.714 -32.481 -25.675 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 21.426 -32.097 -26.955 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 20.299 -33.099 -23.692 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 19.812 -33.834 -24.063 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 20.848 -33.492 -23.014 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 20.204 -38.214 -26.768 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 21.038 -38.592 -27.049 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 20.316 -37.271 -26.887 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 18.691 -35.336 -24.461 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 18.043 -35.011 -23.836 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 18.173 -35.776 -25.136 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 3.267 -40.400 -27.143 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 3.451 -40.482 -28.078 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 4.116 -40.524 -26.719 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 19.088 -40.508 -21.514 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 19.671 -41.242 -21.323 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 19.652 -39.736 -21.468 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 2.865 -45.129 -21.002 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 3.784 -45.251 -20.766 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 2.415 -45.879 -20.613 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 17.474 -32.576 -31.042 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 18.127 -32.923 -31.650 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 17.985 -32.087 -30.396 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 19.454 -32.796 -33.034 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 19.260 -33.544 -33.599 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 19.415 -32.038 -33.618 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 13.155 -40.904 -8.579 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 13.117 -41.550 -7.874 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 12.832 -41.370 -9.350 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 6.447 -36.839 -8.451 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 6.077 -37.641 -8.820 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 7.388 -37.008 -8.404 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 3.057 -43.179 -13.058 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 2.609 -42.333 -13.076 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 2.496 -43.759 -13.573 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 3.767 -41.017 -10.932 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 3.981 -41.787 -10.405 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 4.505 -40.928 -11.535 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 9.616 -42.029 -10.595 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 10.232 -42.555 -10.086 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 9.030 -42.669 -10.999 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 9.219 -39.382 -6.211 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 8.479 -38.784 -6.108 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 9.933 -38.828 -6.527 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 7.627 -37.418 -5.424 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 7.621 -36.539 -5.802 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 6.773 -37.501 -4.999 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 12.943 -40.915 -14.546 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 12.231 -40.380 -14.897 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 13.634 -40.859 -15.206 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 12.997 -42.457 -17.507 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 13.698 -42.435 -16.856 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 13.299 -43.085 -18.163 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 20.312 -41.537 -6.252 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 19.660 -40.842 -6.163 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 20.777 -41.327 -7.062 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 16.349 -40.705 -13.594 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 15.617 -40.477 -13.021 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 16.796 -41.419 -13.139 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 7.994 -40.075 -11.711 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 7.664 -40.445 -12.530 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 8.582 -40.745 -11.365 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 8.361 -41.306 -8.078 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 8.926 -41.185 -8.841 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 8.680 -40.669 -7.439 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 9.241 -36.907 -3.361 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 8.929 -36.125 -2.905 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 8.591 -37.060 -4.047 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 15.220 -41.543 -15.909 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 15.799 -41.393 -15.162 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 15.634 -41.072 -16.632 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 7.480 -34.835 -2.597 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 7.488 -34.971 -3.545 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 6.564 -34.953 -2.345 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 6.984 -41.005 -14.122 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 6.692 -40.237 -14.613 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 6.310 -41.665 -14.285 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 3.077 -38.642 -5.307 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 2.576 -38.670 -6.122 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 3.083 -39.548 -4.997 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 2.828 -35.862 -8.423 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 3.774 -36.006 -8.442 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 2.715 -35.078 -7.886 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 5.326 -37.319 -4.264 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 5.543 -37.680 -3.404 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 4.471 -37.693 -4.474 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 16.697 -40.510 -18.279 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 16.739 -40.733 -19.209 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 17.546 -40.112 -18.089 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 13.569 -43.246 -13.444 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 13.160 -42.431 -13.736 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 14.289 -43.386 -14.059 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 14.573 -43.800 -10.630 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 14.378 -43.195 -11.345 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 14.755 -44.634 -11.065 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 9.152 -46.189 -18.508 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 8.721 -46.634 -17.778 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 8.434 -45.817 -19.020 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 3.669 -45.701 -16.032 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 4.143 -45.110 -16.617 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 2.951 -45.170 -15.685 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 13.837 -42.162 -5.959 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 14.161 -42.793 -6.602 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 13.397 -42.697 -5.298 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 9.096 -44.606 -14.692 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 10.028 -44.477 -14.514 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 8.881 -43.936 -15.341 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 7.770 -43.411 -17.125 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 7.228 -43.791 -17.816 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 8.604 -43.217 -17.554 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 11.935 -43.447 -9.288 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 12.499 -43.994 -9.835 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 11.787 -43.969 -8.499 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 18.255 -39.713 -6.403 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 18.897 -39.256 -6.946 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 17.425 -39.600 -6.865 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 12.625 -38.662 -3.952 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 12.279 -39.043 -3.146 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 12.425 -37.728 -3.881 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 15.721 -44.165 -15.329 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 16.613 -44.302 -15.010 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 15.778 -43.374 -15.866 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 6.230 -39.551 -9.420 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 6.975 -39.553 -10.021 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 6.308 -40.375 -8.938 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 20.570 -38.155 -2.798 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 19.718 -37.917 -3.165 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 21.160 -38.172 -3.551 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 16.062 -40.361 -8.148 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 15.134 -40.593 -8.175 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 16.513 -41.138 -8.478 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 14.091 -38.122 -6.423 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 13.665 -38.349 -5.597 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 14.672 -38.860 -6.606 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 16.933 -42.572 -9.609 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 16.136 -42.987 -9.938 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 17.378 -43.263 -9.118 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 4.707 -43.980 -17.923 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 4.662 -43.041 -17.744 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 3.819 -44.216 -18.193 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 3.734 -32.645 -1.759 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 4.274 -32.862 -1.000 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 3.253 -33.451 -1.949 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 8.331 -33.726 -0.139 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 9.099 -34.185 0.202 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 8.310 -33.952 -1.069 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 10.296 -38.865 -1.372 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 9.968 -38.594 -2.230 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 10.448 -39.806 -1.460 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 16.031 -38.949 -3.989 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 16.776 -38.361 -4.109 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 15.274 -38.367 -3.926 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 13.440 -40.155 -0.733 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 14.393 -40.071 -0.761 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 13.280 -40.866 -0.114 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 19.592 -39.921 -18.659 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 19.319 -40.346 -19.472 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 19.632 -38.990 -18.876 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 10.754 -41.462 -5.196 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 11.505 -41.618 -5.769 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 10.415 -40.610 -5.472 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 16.486 -40.858 -2.090 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 16.205 -40.149 -2.668 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 17.429 -40.931 -2.241 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 3.187 -33.475 -10.738 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 2.853 -34.356 -10.566 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 3.409 -33.130 -9.874 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 18.750 -37.309 -0.198 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 17.884 -37.414 0.196 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 19.126 -36.550 0.249 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 20.051 -39.052 -14.684 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 20.901 -38.631 -14.556 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 20.056 -39.792 -14.076 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 20.445 -40.999 -12.860 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 19.719 -41.478 -12.462 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 21.026 -40.793 -12.128 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 20.204 -38.214 -7.912 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 21.038 -38.592 -8.193 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 20.316 -37.271 -8.031 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 20.713 -41.098 -16.469 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 20.192 -40.741 -17.188 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 20.680 -40.423 -15.791 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 18.232 -42.478 -12.297 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 18.082 -43.423 -12.317 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 17.878 -42.197 -11.453 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 19.088 -40.508 -2.658 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 19.671 -41.242 -2.467 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 19.652 -39.736 -2.612 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 4.859 -35.647 -1.643 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 4.038 -35.472 -2.103 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 4.607 -35.720 -0.722 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 20.108 -35.427 1.137 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 20.181 -34.488 1.307 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 21.013 -35.732 1.080 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 12.418 -31.850 4.797 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 12.343 -31.971 3.851 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 12.451 -30.900 4.916 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 15.520 -32.696 1.800 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 15.895 -33.440 1.329 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 15.524 -32.966 2.718 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 15.189 -32.770 4.549 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 14.254 -32.670 4.728 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 15.469 -33.479 5.127 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 13.231 -37.387 2.692 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 12.936 -36.561 3.074 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 12.528 -38.007 2.888 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 18.902 -35.169 3.686 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 18.529 -35.995 3.996 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 19.179 -35.352 2.789 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 16.294 -37.193 1.507 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 16.647 -37.573 2.311 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 15.345 -37.286 1.593 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 10.385 -36.081 -0.046 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 10.624 -36.829 -0.594 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 10.116 -36.469 0.786 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 12.060 -34.813 3.159 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 11.243 -34.316 3.212 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 12.589 -34.338 2.519 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 9.398 -33.770 3.141 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 9.559 -32.970 2.640 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 9.201 -33.463 4.026 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 12.423 -34.218 0.092 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 11.779 -34.849 0.414 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 13.185 -34.749 -0.140 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 17.027 -34.401 0.326 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 17.310 -35.195 0.779 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 17.767 -34.168 -0.235 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 13.334 -37.444 -0.081 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 13.066 -37.264 0.820 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 13.128 -38.370 -0.212 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 10.100 -31.585 1.753 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 11.033 -31.427 1.897 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 9.836 -30.910 1.128 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 17.474 -32.576 6.670 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 18.127 -32.923 6.062 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 17.985 -32.087 7.316 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 14.469 -31.988 15.675 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 15.146 -32.620 15.435 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 14.791 -31.586 16.483 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 12.393 -31.928 11.725 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 11.936 -31.399 11.071 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 12.556 -31.325 12.450 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 14.720 -33.050 12.670 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 13.816 -32.885 12.404 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 15.149 -32.197 12.604 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 17.325 -31.480 12.965 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 17.143 -30.564 12.754 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 17.501 -31.890 12.118 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 12.745 -32.359 1.998 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 13.611 -31.993 1.820 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 12.498 -32.799 1.185 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 19.454 -32.796 4.678 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 19.260 -33.544 4.113 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 19.415 -32.038 4.094 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 5.699 -32.649 0.626 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 5.431 -32.362 1.499 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 6.470 -33.195 0.778 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 14.222 -21.303 -49.710 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 14.311 -20.359 -49.842 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 13.583 -21.578 -50.368 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 13.155 -22.048 -46.291 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 13.117 -22.694 -45.586 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 12.832 -22.514 -47.062 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 13.972 -14.004 -47.777 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 14.592 -14.681 -48.050 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 13.764 -14.222 -46.869 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 11.544 -19.615 -45.885 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 11.848 -20.301 -46.479 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 12.266 -19.497 -45.267 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 20.207 -28.014 -45.024 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 20.256 -27.404 -44.288 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 20.633 -27.553 -45.747 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 14.685 -25.221 -45.557 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 14.828 -26.168 -45.537 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 14.579 -25.014 -46.486 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 20.599 -26.536 -42.788 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 19.910 -25.878 -42.883 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 20.614 -26.733 -41.851 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 14.019 -18.702 -50.667 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 13.723 -19.024 -51.518 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 13.695 -17.802 -50.625 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 15.625 -15.488 -49.016 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 16.050 -16.195 -49.501 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 15.942 -14.687 -49.433 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 16.784 -17.587 -50.507 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 16.527 -18.277 -51.119 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 16.855 -18.030 -49.662 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 16.349 -21.849 -51.306 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 15.617 -21.621 -50.733 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 16.796 -22.563 -50.851 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 16.246 -23.675 -42.238 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 16.326 -22.912 -41.666 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 15.645 -23.396 -42.929 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 9.241 -18.051 -41.073 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 8.929 -17.269 -40.617 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 8.591 -18.204 -41.759 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 12.946 -15.950 -50.186 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 13.420 -15.655 -49.408 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 12.383 -15.212 -50.419 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 7.480 -15.979 -40.309 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 7.488 -16.115 -41.257 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 6.564 -16.097 -40.057 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 12.004 -16.766 -41.577 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 12.091 -15.940 -41.102 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 11.140 -17.096 -41.328 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 18.177 -24.847 -39.973 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 17.770 -24.366 -40.693 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 18.218 -25.752 -40.280 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 5.326 -18.463 -41.976 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 5.543 -18.824 -41.116 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 4.471 -18.837 -42.186 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 12.671 -24.215 -39.668 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 12.108 -24.919 -39.348 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 13.497 -24.335 -39.201 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 14.573 -24.944 -48.342 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 14.378 -24.339 -49.057 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 14.755 -25.778 -48.777 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 13.837 -23.306 -43.671 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 14.161 -23.937 -44.314 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 13.397 -23.841 -43.010 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 5.905 -19.998 -39.738 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 6.638 -19.744 -39.177 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 5.125 -19.794 -39.223 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 11.935 -24.591 -47.000 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 12.499 -25.138 -47.547 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 11.787 -25.113 -46.211 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 12.625 -19.806 -41.664 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 12.279 -20.187 -40.858 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 12.425 -18.872 -41.593 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 10.255 -22.717 -39.604 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 9.959 -22.883 -40.499 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 11.186 -22.937 -39.614 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 10.547 -15.365 -43.836 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 10.910 -14.510 -44.069 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 11.079 -15.657 -43.095 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 4.872 -27.481 -42.259 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 3.979 -27.142 -42.326 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 4.773 -28.336 -41.841 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 17.160 -19.664 -52.835 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 16.883 -20.392 -52.279 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 18.087 -19.545 -52.629 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 18.331 -27.467 -41.417 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 17.415 -27.204 -41.505 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 18.667 -27.470 -42.314 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 16.933 -23.716 -47.321 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 16.136 -24.131 -47.650 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 17.378 -24.407 -46.830 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 3.734 -13.789 -39.471 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 4.274 -14.006 -38.712 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 3.253 -14.595 -39.661 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 3.641 -19.979 -38.517 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 3.785 -20.881 -38.803 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 2.868 -19.693 -39.005 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 10.296 -20.009 -39.084 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 9.968 -19.738 -39.942 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 10.448 -20.950 -39.172 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 4.473 -22.779 -39.097 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 4.881 -23.636 -39.218 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 4.213 -22.764 -38.176 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 8.420 -23.770 -41.723 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 7.802 -23.095 -41.442 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 8.764 -23.449 -42.556 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 8.760 -26.415 -40.640 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 8.910 -27.144 -41.243 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 8.762 -25.638 -41.199 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 10.754 -22.606 -42.908 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 11.505 -22.762 -43.481 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 10.415 -21.754 -43.184 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 15.170 -24.791 -37.880 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 15.362 -25.722 -37.991 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 16.027 -24.366 -37.890 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 16.486 -22.002 -39.802 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 16.205 -21.293 -40.380 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 17.429 -22.075 -39.953 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 7.238 -25.217 -38.729 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 6.471 -25.749 -38.939 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 7.917 -25.527 -39.328 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 11.242 -26.267 -39.153 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 11.006 -26.487 -38.251 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 10.459 -26.474 -39.662 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 13.958 -27.140 -40.077 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 13.010 -27.108 -39.945 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 14.270 -27.765 -39.423 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 15.592 -28.506 -38.072 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 15.495 -29.458 -38.078 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 15.270 -28.237 -37.211 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 5.419 -27.296 -39.024 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 5.630 -28.003 -39.635 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 5.307 -27.734 -38.180 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 10.200 -31.295 -40.045 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 10.912 -31.935 -40.059 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 10.099 -31.028 -40.959 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 10.553 -29.612 -37.991 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 10.422 -30.088 -38.812 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 9.954 -28.868 -38.047 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 20.736 -13.810 -45.470 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 20.714 -13.625 -44.531 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 21.426 -13.241 -45.811 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 20.051 -20.196 -52.396 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 20.901 -19.775 -52.268 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 20.056 -20.936 -51.788 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 20.445 -22.143 -50.572 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 19.719 -22.622 -50.174 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 21.026 -21.937 -49.840 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 18.232 -23.622 -50.009 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 18.082 -24.567 -50.029 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 17.878 -23.341 -49.165 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 20.585 -23.749 -39.686 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 19.722 -24.128 -39.851 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 21.189 -24.488 -39.760 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 18.554 -25.458 -46.111 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 19.487 -25.246 -46.145 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 18.319 -25.356 -45.188 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 18.583 -24.721 -43.335 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 17.740 -24.453 -42.969 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 19.026 -23.899 -43.546 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 2.865 -26.273 -39.858 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 3.784 -26.395 -39.622 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 2.415 -27.023 -39.469 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 20.386 -28.632 -39.632 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 19.469 -28.361 -39.668 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 20.509 -29.167 -40.416 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 17.474 -13.720 -49.898 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 18.127 -14.067 -50.506 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 17.985 -13.231 -49.252 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 4.859 -16.791 -39.355 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 4.038 -16.616 -39.815 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 4.607 -16.864 -38.434 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 12.393 -13.072 -44.843 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 11.936 -12.543 -45.497 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 12.556 -12.469 -44.118 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 14.720 -14.194 -43.898 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 13.816 -14.029 -44.164 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 15.149 -13.341 -43.964 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 17.325 -12.624 -43.603 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 17.143 -11.708 -43.814 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 17.501 -13.034 -44.450 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 5.101 -29.945 -40.151 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 4.735 -30.710 -39.708 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 6.014 -29.916 -39.864 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 7.074 -30.594 -38.615 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 7.973 -30.868 -38.800 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 6.688 -31.337 -38.151 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 15.496 -31.262 -38.433 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 15.572 -31.688 -37.579 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 16.389 -31.248 -38.775 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 16.861 -19.109 -29.133 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 16.420 -19.829 -28.683 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 16.848 -18.388 -28.503 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 13.972 -14.004 -28.921 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 14.592 -14.681 -29.194 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 13.764 -14.222 -28.013 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 20.207 -28.014 -26.168 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 20.256 -27.404 -25.432 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 20.633 -27.553 -26.891 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 20.599 -26.536 -23.932 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 19.910 -25.878 -24.027 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 20.614 -26.733 -22.995 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 17.373 -17.269 -26.785 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 16.431 -17.211 -26.624 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 17.649 -16.363 -26.922 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 17.673 -28.983 -25.368 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 16.937 -28.372 -25.406 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 18.357 -28.568 -25.894 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 15.625 -15.488 -30.160 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 16.050 -16.195 -30.645 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 15.942 -14.687 -30.577 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 16.784 -17.587 -31.651 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 16.527 -18.277 -32.263 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 16.855 -18.030 -30.806 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 18.470 -19.021 -23.174 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 18.610 -19.612 -23.913 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 18.638 -18.148 -23.530 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 20.312 -22.681 -25.108 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 19.660 -21.986 -25.019 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 20.777 -22.471 -25.918 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 18.918 -30.937 -34.952 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 18.019 -30.798 -34.657 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 19.170 -30.106 -35.354 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 12.270 -27.778 -36.465 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 12.016 -27.759 -35.542 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 12.013 -28.650 -36.766 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 9.152 -27.333 -37.364 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 8.721 -27.778 -36.634 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 8.434 -26.961 -37.876 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 18.255 -20.857 -25.259 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 18.897 -20.400 -25.802 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 17.425 -20.744 -25.721 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 14.875 -17.344 -22.858 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 13.974 -17.161 -23.126 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 14.909 -17.085 -21.937 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 20.606 -25.099 -34.491 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 20.052 -25.495 -35.163 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 20.707 -24.189 -34.768 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 20.570 -19.299 -21.654 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 19.718 -19.061 -22.021 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 21.160 -19.316 -22.407 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 18.902 -16.313 -34.026 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 18.529 -17.139 -33.716 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 19.179 -16.496 -34.923 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 4.360 -22.315 -36.284 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 4.976 -21.688 -35.905 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 3.498 -21.999 -36.013 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 16.750 -14.714 -22.810 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 16.148 -15.269 -23.305 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 17.031 -14.047 -23.436 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 4.707 -25.124 -36.779 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 4.662 -24.185 -36.600 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 3.819 -25.360 -37.049 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 18.020 -14.460 -26.843 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 17.864 -13.782 -27.500 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 18.952 -14.388 -26.640 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 14.908 -16.490 -20.266 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 14.557 -17.346 -20.023 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 15.634 -16.347 -19.659 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 7.982 -19.635 -37.529 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 8.046 -20.429 -36.998 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 8.635 -19.754 -38.218 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 16.031 -20.093 -22.845 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 16.776 -19.505 -22.965 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 15.274 -19.511 -22.782 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 3.668 -18.093 -36.476 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 4.582 -18.014 -36.203 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 3.675 -18.780 -37.143 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 2.317 -12.700 -31.399 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 1.670 -13.162 -31.932 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 2.672 -13.372 -30.816 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 18.750 -18.453 -19.054 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 17.884 -18.558 -18.660 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 19.126 -17.694 -18.607 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 20.051 -20.196 -33.540 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 20.901 -19.775 -33.412 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 20.056 -20.936 -32.932 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 20.445 -22.143 -31.716 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 19.719 -22.622 -31.318 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 21.026 -21.937 -30.984 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 20.204 -19.358 -26.768 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 21.038 -19.736 -27.049 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 20.316 -18.415 -26.887 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 18.691 -16.480 -24.461 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 18.043 -16.155 -23.836 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 18.173 -16.920 -25.136 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 20.713 -22.242 -35.325 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 20.192 -21.885 -36.044 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 20.680 -21.567 -34.647 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 19.062 -25.002 -36.774 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 19.159 -24.335 -37.454 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 18.922 -25.818 -37.256 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 18.232 -23.622 -31.153 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 18.082 -24.567 -31.173 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 17.878 -23.341 -30.309 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 19.088 -21.652 -21.514 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 19.671 -22.386 -21.323 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 19.652 -20.880 -21.468 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 20.585 -23.749 -20.830 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 19.722 -24.128 -20.995 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 21.189 -24.488 -20.904 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 18.310 -27.594 -37.657 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 18.920 -27.966 -37.020 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 17.473 -28.016 -37.461 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 18.554 -25.458 -27.255 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 19.487 -25.246 -27.289 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 18.319 -25.356 -26.332 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 18.583 -24.721 -24.479 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 17.740 -24.453 -24.113 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 19.026 -23.899 -24.690 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 20.386 -28.632 -20.776 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 19.469 -28.361 -20.812 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 20.509 -29.167 -21.560 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 20.422 -28.709 -36.114 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 20.835 -29.430 -36.590 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 21.104 -28.039 -36.056 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 17.474 -13.720 -31.042 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 18.127 -14.067 -31.650 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 17.985 -13.231 -30.396 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 12.124 -14.417 -21.281 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 12.309 -14.751 -20.403 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 12.971 -14.108 -21.603 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 14.469 -13.132 -22.037 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 15.146 -13.764 -22.277 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 14.791 -12.730 -21.229 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 19.387 -30.542 -22.957 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 18.574 -30.217 -23.345 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 19.620 -31.302 -23.490 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 14.720 -14.194 -25.042 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 13.816 -14.029 -25.308 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 15.149 -13.341 -25.108 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 17.325 -12.624 -24.747 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 17.143 -11.708 -24.958 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 17.501 -13.034 -25.594 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 6.771 -15.227 -28.627 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 6.552 -16.143 -28.458 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 7.595 -15.087 -28.161 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 17.959 -30.986 -28.522 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 18.563 -30.438 -29.023 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 17.090 -30.666 -28.762 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 19.686 -29.847 -30.188 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 20.298 -30.361 -30.715 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 20.069 -28.969 -30.165 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 19.454 -13.940 -33.034 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 19.260 -14.688 -33.599 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 19.415 -13.182 -33.618 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 18.672 -15.189 -20.884 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 17.890 -15.375 -21.404 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 18.600 -14.260 -20.667 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 13.972 -14.004 -10.065 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 14.592 -14.681 -10.338 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 13.764 -14.222 -9.157 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 17.373 -17.269 -7.929 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 16.431 -17.211 -7.768 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 17.649 -16.363 -8.066 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 15.625 -15.488 -11.304 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 16.050 -16.195 -11.789 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 15.942 -14.687 -11.721 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 14.670 -16.947 -7.344 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 14.429 -16.285 -6.696 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 14.472 -17.781 -6.919 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 20.108 -16.571 -17.719 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 20.181 -15.632 -17.549 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 21.013 -16.876 -17.776 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 15.520 -13.840 -17.056 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 15.895 -14.584 -17.527 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 15.524 -14.110 -16.138 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 15.189 -13.914 -14.307 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 14.254 -13.814 -14.128 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 15.469 -14.623 -13.729 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 12.671 -24.215 -1.956 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 12.108 -24.919 -1.636 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 13.497 -24.335 -1.489 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 5.786 -24.707 -5.306 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 5.748 -24.307 -4.438 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 5.295 -25.524 -5.216 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 2.394 -27.591 -11.456 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 3.025 -27.620 -10.736 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 2.844 -28.016 -12.186 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 12.625 -19.806 -3.952 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 12.279 -20.187 -3.146 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 12.425 -18.872 -3.881 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 3.238 -22.234 -4.105 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 3.461 -22.652 -3.273 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 2.636 -22.847 -4.527 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 10.255 -22.717 -1.892 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 9.959 -22.883 -2.787 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 11.186 -22.937 -1.902 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 18.902 -16.313 -15.170 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 18.529 -17.139 -14.860 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 19.179 -16.496 -16.067 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 20.798 -13.857 -17.148 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 21.541 -13.271 -17.288 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 20.103 -13.289 -16.815 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 4.872 -27.481 -4.547 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 3.979 -27.142 -4.614 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 4.773 -28.336 -4.129 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 18.020 -14.460 -7.987 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 17.864 -13.782 -8.644 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 18.952 -14.388 -7.784 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 3.734 -13.789 -1.759 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 4.274 -14.006 -1.000 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 3.253 -14.595 -1.949 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 12.423 -15.362 -18.764 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 11.779 -15.993 -18.442 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 13.185 -15.893 -18.996 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 17.027 -15.545 -18.530 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 17.310 -16.339 -18.077 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 17.767 -15.312 -19.091 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 10.296 -20.009 -1.372 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 9.968 -19.738 -2.230 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 10.448 -20.950 -1.460 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 4.473 -22.779 -1.385 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 4.881 -23.636 -1.506 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 4.213 -22.764 -0.464 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 8.420 -23.770 -4.011 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 7.802 -23.095 -3.730 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 8.764 -23.449 -4.844 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 13.440 -21.299 -0.733 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 14.393 -21.215 -0.761 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 13.280 -22.010 -0.114 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 19.592 -21.065 -18.659 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 19.319 -21.490 -19.472 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 19.632 -20.134 -18.876 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 8.760 -26.415 -2.928 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 8.910 -27.144 -3.531 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 8.762 -25.638 -3.487 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 7.238 -25.217 -1.017 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 6.471 -25.749 -1.227 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 7.917 -25.527 -1.616 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 11.242 -26.267 -1.441 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 11.006 -26.487 -0.539 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 10.459 -26.474 -1.950 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 5.419 -27.296 -1.312 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 5.630 -28.003 -1.923 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 5.307 -27.734 -0.468 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 10.200 -31.295 -2.333 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 10.912 -31.935 -2.347 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 10.099 -31.028 -3.247 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 10.553 -29.612 -0.279 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 10.422 -30.088 -1.100 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 9.954 -28.868 -0.335 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 20.736 -13.810 -7.758 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 20.714 -13.625 -6.819 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 21.426 -13.241 -8.099 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 20.299 -14.243 -4.836 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 19.812 -14.978 -5.207 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 20.848 -14.636 -4.158 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 20.051 -20.196 -14.684 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 20.901 -19.775 -14.556 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 20.056 -20.936 -14.076 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 20.445 -22.143 -12.860 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 19.719 -22.622 -12.462 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 21.026 -21.937 -12.128 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 20.204 -19.358 -7.912 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 21.038 -19.736 -8.193 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 20.316 -18.415 -8.031 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 18.691 -16.480 -5.605 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 18.043 -16.155 -4.980 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 18.173 -16.920 -6.280 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 20.713 -22.242 -16.469 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 20.192 -21.885 -17.188 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 20.680 -21.567 -15.791 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 4.086 -27.961 -9.255 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 4.531 -28.753 -8.953 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 4.552 -27.245 -8.824 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 20.422 -28.709 -17.258 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 20.835 -29.430 -17.734 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 21.104 -28.039 -17.200 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 17.474 -13.720 -12.186 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 18.127 -14.067 -12.794 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 17.985 -13.231 -11.540 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 2.667 -29.966 -5.787 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 2.002 -30.212 -5.144 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 2.224 -29.344 -6.364 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 14.720 -14.194 -6.186 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 13.816 -14.029 -6.452 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 15.149 -13.341 -6.252 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 17.325 -12.624 -5.891 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 17.143 -11.708 -6.102 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 17.501 -13.034 -6.738 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 12.745 -13.503 -16.858 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 13.611 -13.137 -17.036 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 12.498 -13.943 -17.671 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 19.454 -13.940 -14.178 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 19.260 -14.688 -14.743 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 19.415 -13.182 -14.762 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 5.101 -29.945 -2.439 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 4.735 -30.710 -1.996 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 6.014 -29.916 -2.152 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 7.074 -30.594 -0.903 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 7.973 -30.868 -1.088 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 6.688 -31.337 -0.439 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 5.523 -22.433 11.870 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 5.565 -23.059 12.594 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 6.226 -21.810 12.052 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 6.447 -17.983 10.405 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 6.077 -18.785 10.036 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 7.388 -18.152 10.452 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 20.207 -28.014 11.544 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 20.256 -27.404 12.280 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 20.633 -27.553 10.821 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 7.840 -27.120 8.283 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 7.883 -26.260 7.865 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 7.382 -27.672 7.650 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 15.562 -26.989 6.684 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 16.208 -27.318 7.309 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 16.072 -26.471 6.061 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 9.616 -23.173 8.261 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 10.232 -23.699 8.770 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 9.030 -23.813 7.857 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 20.599 -26.536 13.780 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 19.910 -25.878 13.685 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 20.614 -26.733 14.717 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 6.650 -28.202 12.357 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 6.431 -27.672 11.591 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 5.982 -27.975 13.005 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 17.326 -27.698 8.665 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 17.111 -28.464 9.197 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 17.982 -27.226 9.178 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 6.244 -26.310 10.310 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 6.857 -25.677 10.683 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 6.756 -26.782 9.653 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 7.627 -18.562 13.432 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 7.621 -17.683 13.054 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 6.773 -18.645 13.857 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 3.748 -18.891 4.214 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 3.476 -18.662 3.325 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 3.793 -18.053 4.674 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 17.673 -28.983 12.344 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 16.937 -28.372 12.306 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 18.357 -28.568 11.818 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 10.676 -30.896 9.810 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 10.559 -31.845 9.756 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 9.821 -30.564 10.083 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 18.470 -19.021 14.538 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 18.610 -19.612 13.799 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 18.638 -18.148 14.182 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 20.312 -22.681 12.604 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 19.660 -21.986 12.693 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 20.777 -22.471 11.794 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 7.994 -21.219 7.145 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 7.664 -21.589 6.326 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 8.582 -21.889 7.491 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 9.361 -17.791 9.826 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 9.266 -18.369 9.069 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 10.090 -18.162 10.322 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 8.361 -22.450 10.778 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 8.926 -22.329 10.015 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 8.680 -21.813 11.417 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 9.241 -18.051 15.495 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 8.929 -17.269 15.951 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 8.591 -18.204 14.809 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 6.161 -21.853 14.724 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 6.231 -21.202 15.422 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 5.270 -21.750 14.389 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 21.025 -16.340 16.115 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 20.976 -17.295 16.078 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 20.199 -16.072 16.517 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 6.072 -14.205 6.578 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 6.224 -14.553 7.457 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 5.221 -14.561 6.323 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 18.177 -24.847 16.595 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 17.770 -24.366 15.875 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 18.218 -25.752 16.288 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 5.326 -18.463 14.592 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 5.543 -18.824 15.452 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 4.471 -18.837 14.382 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 7.945 -29.993 10.588 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 7.084 -30.080 10.180 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 7.923 -29.137 11.015 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 12.608 -30.271 13.962 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 13.028 -30.686 14.715 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 11.675 -30.449 14.079 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 12.270 -27.778 1.247 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 12.016 -27.759 2.170 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 12.013 -28.650 0.946 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 8.036 -25.027 11.683 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 7.394 -25.068 12.392 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 8.073 -24.101 11.445 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 8.033 -24.806 6.595 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 7.140 -25.147 6.536 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 8.484 -25.183 5.839 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 13.569 -24.390 5.412 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 13.160 -23.575 5.120 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 14.289 -24.530 4.797 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 5.786 -24.707 13.550 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 5.748 -24.307 14.418 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 5.295 -25.524 13.640 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 9.152 -27.333 0.348 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 8.721 -27.778 1.078 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 8.434 -26.961 -0.164 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 10.615 -27.379 7.681 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 9.704 -27.322 7.970 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 11.120 -27.439 8.492 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 5.443 -25.750 6.508 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 4.554 -25.650 6.168 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 5.739 -26.592 6.162 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 9.096 -25.750 4.164 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 10.028 -25.621 4.342 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 8.881 -25.080 3.515 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 7.770 -24.555 1.731 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 7.228 -24.935 1.040 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 8.604 -24.361 1.302 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 18.307 -12.472 17.222 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 18.507 -12.048 16.387 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 18.963 -12.129 17.829 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 5.905 -19.998 16.830 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 6.638 -19.744 17.391 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 5.125 -19.794 17.345 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 6.230 -20.695 9.436 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 6.975 -20.697 8.835 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 6.308 -21.519 9.918 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 3.238 -22.234 14.751 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 3.461 -22.652 15.583 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 2.636 -22.847 14.329 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 20.570 -19.299 16.058 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 19.718 -19.061 15.691 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 21.160 -19.316 15.305 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 8.605 -17.177 6.841 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 9.132 -16.404 6.640 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 7.725 -16.952 6.539 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 4.360 -22.315 1.428 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 4.976 -21.688 1.807 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 3.498 -21.999 1.699 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 8.716 -14.492 5.962 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 7.766 -14.387 6.014 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 9.067 -13.672 6.307 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 4.872 -27.481 14.309 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 3.979 -27.142 14.242 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 4.773 -28.336 14.727 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 5.775 -20.402 2.920 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 5.089 -20.050 3.487 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 6.298 -19.639 2.674 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 14.391 -28.088 4.296 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 14.611 -27.616 3.493 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 14.949 -27.693 4.967 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 11.591 -26.360 5.131 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 12.403 -25.856 5.177 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 11.346 -26.505 6.045 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 12.475 -29.279 6.069 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 12.128 -28.661 6.714 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 13.133 -28.778 5.588 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 8.132 -28.216 2.757 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 8.049 -27.327 3.103 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 9.022 -28.481 2.988 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 18.331 -27.467 15.151 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 17.415 -27.204 15.063 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 18.667 -27.470 14.254 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 6.391 -17.788 1.817 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 6.983 -17.089 2.093 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 6.850 -18.221 1.098 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 4.707 -25.124 0.933 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 4.662 -24.185 1.112 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 3.819 -25.360 0.663 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 4.445 -16.402 5.767 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 3.613 -15.929 5.794 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 4.991 -15.892 5.168 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 14.908 -16.490 17.446 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 14.557 -17.346 17.689 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 15.634 -16.347 18.053 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 3.641 -19.979 18.051 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 3.785 -20.881 17.765 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 2.868 -19.693 17.563 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 7.982 -19.635 0.183 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 8.046 -20.429 0.714 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 8.635 -19.754 -0.506 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 16.031 -20.093 14.867 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 16.776 -19.505 14.747 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 15.274 -19.511 14.930 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 4.473 -22.779 17.471 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 4.881 -23.636 17.350 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 4.213 -22.764 18.392 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 10.202 -23.420 0.752 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 10.022 -23.574 -0.176 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 11.153 -23.312 0.796 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 13.440 -21.299 18.123 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 14.393 -21.215 18.095 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 13.280 -22.010 18.742 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 9.172 -28.045 13.420 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 9.708 -27.594 12.768 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 8.320 -28.153 12.998 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 15.170 -24.791 18.688 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 15.362 -25.722 18.577 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 16.027 -24.366 18.678 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 16.486 -22.002 16.766 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 16.205 -21.293 16.188 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 17.429 -22.075 16.615 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 9.978 -30.589 13.852 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 9.880 -29.642 13.746 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 9.235 -30.961 13.376 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 15.592 -28.506 18.496 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 15.495 -29.458 18.490 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 15.270 -28.237 19.357 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 5.419 -27.296 17.544 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 5.630 -28.003 16.933 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 5.307 -27.734 18.388 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 10.200 -31.295 16.523 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 10.912 -31.935 16.509 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 10.099 -31.028 15.609 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 10.553 -29.612 18.577 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 10.422 -30.088 17.756 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 9.954 -28.868 18.521 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 3.668 -18.093 1.236 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 4.582 -18.014 1.509 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 3.675 -18.780 0.569 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 20.736 -13.810 11.098 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 20.714 -13.625 12.037 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 21.426 -13.241 10.757 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 20.299 -14.243 14.020 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 19.812 -14.978 13.649 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 20.848 -14.636 14.698 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 18.750 -18.453 18.658 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 17.884 -18.558 19.052 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 19.126 -17.694 19.105 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 20.204 -19.358 10.944 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 21.038 -19.736 10.663 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 20.316 -18.415 10.825 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 19.088 -21.652 16.198 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 19.671 -22.386 16.389 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 19.652 -20.880 16.244 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 20.585 -23.749 16.882 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 19.722 -24.128 16.717 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 21.189 -24.488 16.808 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 18.583 -24.721 13.233 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 17.740 -24.453 13.599 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 19.026 -23.899 13.022 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 2.865 -26.273 16.710 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 3.784 -26.395 16.946 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 2.415 -27.023 17.099 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 18.556 -28.776 5.070 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 18.738 -29.225 5.895 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 17.956 -29.361 4.606 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 7.813 -15.816 13.472 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 7.388 -15.007 13.189 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 8.718 -15.731 13.170 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 12.124 -14.417 16.431 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 12.309 -14.751 17.309 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 12.971 -14.108 16.109 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 14.469 -13.132 15.675 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 15.146 -13.764 15.435 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 14.791 -12.730 16.483 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 7.682 -12.960 12.549 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 6.817 -12.888 12.953 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 7.627 -12.413 11.765 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 6.771 -15.227 9.085 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 6.552 -16.143 9.254 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 7.595 -15.087 9.551 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 9.308 -14.757 9.933 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 9.521 -15.645 9.646 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 9.373 -14.791 10.888 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 12.817 -29.093 9.078 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 12.142 -29.722 9.333 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 13.381 -29.577 8.475 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 17.959 -30.986 9.190 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 18.563 -30.438 8.689 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 17.090 -30.666 8.950 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 19.686 -29.847 7.524 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 20.298 -30.361 6.997 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 20.069 -28.969 7.547 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 15.280 -30.502 8.362 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 15.356 -30.407 7.413 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 15.004 -31.410 8.491 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 16.633 -30.476 4.055 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 15.930 -29.862 3.845 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 16.188 -31.314 4.186 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 3.881 -14.713 3.601 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 3.196 -14.751 2.933 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 3.884 -13.800 3.889 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 10.867 -28.452 3.603 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 11.045 -29.098 4.286 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 10.813 -27.618 4.070 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 19.454 -13.940 4.678 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 19.260 -14.688 4.113 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 19.415 -13.182 4.094 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 7.074 -30.594 17.953 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 7.973 -30.868 17.768 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 6.688 -31.337 18.417 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 5.699 -13.793 0.626 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 5.431 -13.506 1.499 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 6.470 -14.339 0.778 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 18.672 -15.189 16.828 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 17.890 -15.375 16.308 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 18.600 -14.260 17.045 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 12.943 -22.059 23.166 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 12.231 -21.524 22.815 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 13.634 -22.003 22.506 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 12.997 -23.601 20.205 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 13.698 -23.579 20.856 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 13.299 -24.229 19.549 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 15.220 -22.687 21.803 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 15.799 -22.537 22.550 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 15.634 -22.216 21.080 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 15.520 -13.840 20.656 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 15.895 -14.584 20.185 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 15.524 -14.110 21.574 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 16.697 -21.654 19.433 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 16.739 -21.877 18.503 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 17.546 -21.256 19.623 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 12.270 -27.778 20.103 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 12.016 -27.759 21.026 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 12.013 -28.650 19.802 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 9.152 -27.333 19.204 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 8.721 -27.778 19.934 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 8.434 -26.961 18.692 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 9.096 -25.750 23.020 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 10.028 -25.621 23.198 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 8.881 -25.080 22.371 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 7.770 -24.555 20.587 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 7.228 -24.935 19.896 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 8.604 -24.361 20.158 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 11.105 -19.990 22.523 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 10.361 -20.497 22.200 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 10.971 -19.941 23.469 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 15.003 -27.176 20.722 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 14.065 -27.064 20.571 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 15.300 -26.319 21.028 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 13.231 -18.531 21.548 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 12.936 -17.705 21.930 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 12.528 -19.151 21.744 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 4.360 -22.315 20.284 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 4.976 -21.688 20.663 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 3.498 -21.999 20.555 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 16.294 -18.337 20.363 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 16.647 -18.717 21.167 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 15.345 -18.430 20.449 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 10.385 -17.225 18.810 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 10.624 -17.973 18.262 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 10.116 -17.613 19.642 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 9.322 -17.655 21.266 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 9.469 -18.175 22.056 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 9.319 -16.748 21.572 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 5.775 -20.402 21.776 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 5.089 -20.050 22.343 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 6.298 -19.639 21.530 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 8.132 -28.216 21.613 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 8.049 -27.327 21.959 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 9.022 -28.481 21.844 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 4.707 -25.124 19.789 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 4.662 -24.185 19.968 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 3.819 -25.360 19.519 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 12.423 -15.362 18.948 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 11.779 -15.993 19.270 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 13.185 -15.893 18.716 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 17.027 -15.545 19.182 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 17.310 -16.339 19.635 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 17.767 -15.312 18.621 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 7.982 -19.635 19.039 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 8.046 -20.429 19.570 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 8.635 -19.754 18.350 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 13.334 -18.588 18.775 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 13.066 -18.408 19.676 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 13.128 -19.514 18.644 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 9.131 -21.663 21.345 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 8.672 -22.147 22.031 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 9.386 -22.331 20.709 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 18.310 -27.594 18.911 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 18.920 -27.966 19.548 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 17.473 -28.016 19.107 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 5.841 -28.745 20.002 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 6.332 -29.375 19.474 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 6.464 -28.449 20.665 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 10.867 -28.452 22.459 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 11.045 -29.098 23.142 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 10.813 -27.618 22.926 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 17.673 -10.127 -44.224 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 16.937 -9.516 -44.262 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 18.357 -9.712 -44.750 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 18.177 -5.991 -39.973 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 17.770 -5.510 -40.693 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 18.218 -6.896 -40.280 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 12.608 -11.415 -42.606 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 13.028 -11.830 -41.853 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 11.675 -11.593 -42.489 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 15.934 -7.659 -41.752 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 15.420 -7.785 -40.955 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 15.779 -6.747 -41.997 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 12.671 -5.359 -39.668 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 12.108 -6.063 -39.348 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 13.497 -5.479 -39.201 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 15.020 -9.288 -45.623 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 14.343 -9.157 -44.959 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 14.534 -9.443 -46.433 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 13.607 -8.884 -43.369 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 14.305 -8.810 -42.719 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 13.226 -9.748 -43.214 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 12.127 -6.518 -42.252 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 12.246 -5.944 -41.495 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 12.782 -7.206 -42.137 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 18.331 -8.611 -41.417 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 17.415 -8.348 -41.505 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 18.667 -8.614 -42.314 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 8.760 -7.559 -40.640 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 8.910 -8.288 -41.243 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 8.762 -6.782 -41.199 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 9.172 -9.189 -43.148 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 9.708 -8.738 -43.800 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 8.320 -9.297 -43.570 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 15.170 -5.935 -37.880 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 15.362 -6.866 -37.991 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 16.027 -5.510 -37.890 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 9.978 -11.733 -42.716 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 9.880 -10.786 -42.822 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 9.235 -12.105 -43.192 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 11.242 -7.411 -39.153 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 11.006 -7.631 -38.251 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 10.459 -7.618 -39.662 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 13.958 -8.284 -40.077 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 13.010 -8.252 -39.945 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 14.270 -8.909 -39.423 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 5.419 -8.440 -39.024 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 5.630 -9.147 -39.635 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 5.307 -8.878 -38.180 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 10.200 -12.439 -40.045 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 10.912 -13.079 -40.059 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 10.099 -12.172 -40.959 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 20.866 -11.885 -37.981 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 21.216 -12.539 -38.587 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 21.013 -11.048 -38.421 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 20.386 -9.776 -39.632 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 19.469 -9.505 -39.668 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 20.509 -10.311 -40.416 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 19.387 -11.686 -41.813 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 18.574 -11.361 -42.201 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 19.620 -12.446 -42.346 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 17.959 -12.130 -47.378 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 18.563 -11.582 -47.879 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 17.090 -11.810 -47.618 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 15.280 -11.646 -48.206 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 15.356 -11.551 -49.155 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 15.004 -12.554 -48.077 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 5.101 -11.089 -40.151 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 4.735 -11.854 -39.708 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 6.014 -11.060 -39.864 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 7.074 -11.738 -38.615 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 7.973 -12.012 -38.800 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 6.688 -12.481 -38.151 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 14.685 -6.365 -26.701 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 14.828 -7.312 -26.681 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 14.579 -6.158 -27.630 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 7.840 -8.264 -29.429 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 7.883 -7.404 -29.847 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 7.382 -8.816 -30.062 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 15.562 -8.133 -31.028 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 16.208 -8.462 -30.403 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 16.072 -7.615 -31.651 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 4.460 -5.867 -28.667 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 5.114 -6.417 -28.235 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 4.484 -6.141 -29.583 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 17.326 -8.842 -29.047 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 17.111 -9.608 -28.515 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 17.982 -8.370 -28.534 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 6.244 -7.454 -27.402 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 6.857 -6.821 -27.029 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 6.756 -7.926 -28.059 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 17.673 -10.127 -25.368 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 16.937 -9.516 -25.406 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 18.357 -9.712 -25.894 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 12.997 -4.745 -36.363 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 13.698 -4.723 -35.712 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 13.299 -5.373 -37.019 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 15.220 -3.831 -34.765 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 15.799 -3.681 -34.018 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 15.634 -3.360 -35.488 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 15.934 -7.659 -22.896 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 15.420 -7.785 -22.099 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 15.779 -6.747 -23.141 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 8.036 -6.171 -26.029 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 7.394 -6.212 -25.320 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 8.073 -5.245 -26.267 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 8.033 -5.950 -31.117 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 7.140 -6.291 -31.176 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 8.484 -6.327 -31.873 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 13.569 -5.534 -32.300 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 13.160 -4.719 -32.592 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 14.289 -5.674 -32.915 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 14.573 -6.088 -29.486 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 14.378 -5.483 -30.201 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 14.755 -6.922 -29.921 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 5.786 -5.851 -24.162 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 5.748 -5.451 -23.294 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 5.295 -6.668 -24.072 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 9.152 -8.477 -37.364 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 8.721 -8.922 -36.634 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 8.434 -8.105 -37.876 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 2.394 -8.735 -30.312 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 3.025 -8.764 -29.592 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 2.844 -9.160 -31.042 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 3.669 -7.989 -34.888 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 4.143 -7.398 -35.473 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 2.951 -7.458 -34.541 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 10.615 -8.523 -30.031 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 9.704 -8.466 -29.742 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 11.120 -8.583 -29.220 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 5.443 -6.894 -31.204 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 4.554 -6.794 -31.544 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 5.739 -7.736 -31.550 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 9.096 -6.894 -33.548 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 10.028 -6.765 -33.370 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 8.881 -6.224 -34.197 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 15.020 -9.288 -26.767 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 14.343 -9.157 -26.103 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 14.534 -9.443 -27.577 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 11.935 -5.735 -28.144 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 12.499 -6.282 -28.691 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 11.787 -6.257 -27.355 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 6.937 -9.599 -31.726 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 6.620 -10.501 -31.761 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 7.718 -9.597 -32.278 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 10.561 -7.347 -25.730 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 9.726 -6.893 -25.620 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 11.085 -7.071 -24.978 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 15.721 -6.453 -34.185 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 16.613 -6.590 -33.866 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 15.778 -5.662 -34.722 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 3.238 -3.378 -22.961 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 3.461 -3.796 -22.129 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 2.636 -3.991 -23.383 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 13.607 -8.884 -24.513 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 14.305 -8.810 -23.863 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 13.226 -9.748 -24.358 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 11.591 -7.504 -32.581 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 12.403 -7.000 -32.535 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 11.346 -7.649 -31.667 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 12.127 -6.518 -23.396 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 12.246 -5.944 -22.639 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 12.782 -7.206 -23.281 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 8.132 -9.360 -34.955 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 8.049 -8.471 -34.609 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 9.022 -9.625 -34.724 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 4.473 -3.923 -20.241 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 4.881 -4.780 -20.362 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 4.213 -3.908 -19.320 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 8.420 -4.914 -22.867 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 7.802 -4.239 -22.586 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 8.764 -4.593 -23.700 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 10.202 -4.564 -36.960 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 10.022 -4.718 -37.888 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 11.153 -4.456 -36.916 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 8.760 -7.559 -21.784 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 8.910 -8.288 -22.387 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 8.762 -6.782 -22.343 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 7.238 -6.361 -19.873 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 6.471 -6.893 -20.083 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 7.917 -6.671 -20.472 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 11.242 -7.411 -20.297 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 11.006 -7.631 -19.395 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 10.459 -7.618 -20.806 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 13.958 -8.284 -21.221 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 13.010 -8.252 -21.089 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 14.270 -8.909 -20.567 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 10.553 -10.756 -19.135 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 10.422 -11.232 -19.956 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 9.954 -10.012 -19.191 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 19.062 -6.146 -36.774 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 19.159 -5.479 -37.454 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 18.922 -6.962 -37.256 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 18.310 -8.738 -37.657 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 18.920 -9.110 -37.020 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 17.473 -9.160 -37.461 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 17.942 -7.183 -32.691 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 18.222 -8.090 -32.566 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 18.701 -6.749 -33.080 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 2.865 -7.417 -21.002 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 3.784 -7.539 -20.766 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 2.415 -8.167 -20.613 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 18.556 -9.920 -32.642 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 18.738 -10.369 -31.817 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 17.956 -10.505 -33.106 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 4.086 -9.105 -28.111 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 4.531 -9.897 -27.809 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 4.552 -8.389 -27.680 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 2.390 -6.106 -27.042 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 2.882 -6.327 -27.832 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 2.752 -5.265 -26.761 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 20.422 -9.853 -36.114 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 20.835 -10.574 -36.590 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 21.104 -9.183 -36.056 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 2.703 -9.848 -32.987 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 1.778 -9.639 -33.117 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 3.157 -9.364 -33.677 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 12.817 -10.237 -28.634 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 12.142 -10.866 -28.379 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 13.381 -10.721 -29.237 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 17.959 -12.130 -28.522 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 18.563 -11.582 -29.023 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 17.090 -11.810 -28.762 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 19.686 -10.991 -30.188 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 20.298 -11.505 -30.715 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 20.069 -10.113 -30.165 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 15.280 -11.646 -29.350 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 15.356 -11.551 -30.299 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 15.004 -12.554 -29.221 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 5.841 -9.889 -36.566 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 6.332 -10.519 -37.094 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 6.464 -9.593 -35.903 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 15.496 -12.406 -19.577 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 15.572 -12.832 -18.723 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 16.389 -12.392 -19.919 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 14.685 -6.365 -7.845 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 14.828 -7.312 -7.825 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 14.579 -6.158 -8.774 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 7.840 -8.264 -10.573 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 7.883 -7.404 -10.991 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 7.382 -8.816 -11.206 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 15.562 -8.133 -12.172 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 16.208 -8.462 -11.547 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 16.072 -7.615 -12.795 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 4.460 -5.867 -9.811 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 5.114 -6.417 -9.379 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 4.484 -6.141 -10.727 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 6.650 -9.346 -6.499 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 6.431 -8.816 -7.265 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 5.982 -9.119 -5.851 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 6.244 -7.454 -8.546 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 6.857 -6.821 -8.173 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 6.756 -7.926 -9.203 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 17.673 -10.127 -6.512 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 16.937 -9.516 -6.550 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 18.357 -9.712 -7.038 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 16.246 -4.819 -4.526 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 16.326 -4.056 -3.954 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 15.645 -4.540 -5.217 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 18.918 -12.081 -16.096 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 18.019 -11.942 -15.801 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 19.170 -11.250 -16.498 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 18.177 -5.991 -2.261 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 17.770 -5.510 -2.981 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 18.218 -6.896 -2.568 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 12.270 -8.922 -17.609 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 12.016 -8.903 -16.686 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 12.013 -9.794 -17.910 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 8.036 -6.171 -7.173 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 7.394 -6.212 -6.464 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 8.073 -5.245 -7.411 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 8.033 -5.950 -12.261 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 7.140 -6.291 -12.320 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 8.484 -6.327 -13.017 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 14.573 -6.088 -10.630 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 14.378 -5.483 -11.345 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 14.755 -6.922 -11.065 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 9.152 -8.477 -18.508 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 8.721 -8.922 -17.778 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 8.434 -8.105 -19.020 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 2.394 -8.735 -11.456 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 3.025 -8.764 -10.736 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 2.844 -9.160 -12.186 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 3.669 -7.989 -16.032 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 4.143 -7.398 -16.617 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 2.951 -7.458 -15.685 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 13.837 -4.450 -5.959 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 14.161 -5.081 -6.602 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 13.397 -4.985 -5.298 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 10.615 -8.523 -11.175 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 9.704 -8.466 -10.886 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 11.120 -8.583 -10.364 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 5.443 -6.894 -12.348 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 4.554 -6.794 -12.688 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 5.739 -7.736 -12.694 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 9.096 -6.894 -14.692 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 10.028 -6.765 -14.514 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 8.881 -6.224 -15.341 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 15.020 -9.288 -7.911 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 14.343 -9.157 -7.247 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 14.534 -9.443 -8.721 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 11.935 -5.735 -9.288 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 12.499 -6.282 -9.835 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 11.787 -6.257 -8.499 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 6.937 -9.599 -12.870 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 6.620 -10.501 -12.905 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 7.718 -9.597 -13.422 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 10.561 -7.347 -6.874 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 9.726 -6.893 -6.764 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 11.085 -7.071 -6.122 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 10.255 -3.861 -1.892 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 9.959 -4.027 -2.787 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 11.186 -4.081 -1.902 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 4.872 -8.625 -4.547 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 3.979 -8.286 -4.614 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 4.773 -9.480 -4.129 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 14.391 -9.232 -14.560 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 14.611 -8.760 -15.363 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 14.949 -8.837 -13.889 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 11.591 -7.504 -13.725 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 12.403 -7.000 -13.679 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 11.346 -7.649 -12.811 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 12.127 -6.518 -4.540 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 12.246 -5.944 -3.783 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 12.782 -7.206 -4.425 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 12.475 -10.423 -12.787 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 12.128 -9.805 -12.142 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 13.133 -9.922 -13.268 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 8.132 -9.360 -16.099 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 8.049 -8.471 -15.753 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 9.022 -9.625 -15.868 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 18.331 -8.611 -3.705 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 17.415 -8.348 -3.793 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 18.667 -8.614 -4.602 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 4.707 -6.268 -17.923 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 4.662 -5.329 -17.744 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 3.819 -6.504 -18.193 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 8.420 -4.914 -4.011 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 7.802 -4.239 -3.730 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 8.764 -4.593 -4.844 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 13.440 -2.443 -0.733 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 14.393 -2.359 -0.761 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 13.280 -3.154 -0.114 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 8.760 -7.559 -2.928 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 8.910 -8.288 -3.531 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 8.762 -6.782 -3.487 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 9.172 -9.189 -5.436 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 9.708 -8.738 -6.088 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 8.320 -9.297 -5.858 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 10.754 -3.750 -5.196 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 11.505 -3.906 -5.769 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 10.415 -2.898 -5.472 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 16.486 -3.146 -2.090 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 16.205 -2.437 -2.668 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 17.429 -3.219 -2.241 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 7.238 -6.361 -1.017 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 6.471 -6.893 -1.227 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 7.917 -6.671 -1.616 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 5.419 -8.440 -1.312 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 5.630 -9.147 -1.923 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 5.307 -8.878 -0.468 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 18.583 -5.865 -5.623 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 17.740 -5.597 -5.257 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 19.026 -5.043 -5.834 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 4.086 -9.105 -9.255 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 4.531 -9.897 -8.953 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 4.552 -8.389 -8.824 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 2.390 -6.106 -8.186 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 2.882 -6.327 -8.976 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 2.752 -5.265 -7.905 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 20.386 -9.776 -1.920 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 19.469 -9.505 -1.956 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 20.509 -10.311 -2.704 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 2.703 -9.848 -14.131 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 1.778 -9.639 -14.261 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 3.157 -9.364 -14.821 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 2.667 -11.110 -5.787 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 2.002 -11.356 -5.144 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 2.224 -10.488 -6.364 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 19.387 -11.686 -4.101 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 18.574 -11.361 -4.489 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 19.620 -12.446 -4.634 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 17.959 -12.130 -9.666 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 18.563 -11.582 -10.167 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 17.090 -11.810 -9.906 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 15.280 -11.646 -10.494 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 15.356 -11.551 -11.443 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 15.004 -12.554 -10.365 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 16.633 -11.620 -14.801 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 15.930 -11.006 -15.011 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 16.188 -12.458 -14.670 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 5.841 -9.889 -17.710 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 6.332 -10.519 -18.238 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 6.464 -9.593 -17.047 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 10.867 -9.596 -15.253 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 11.045 -10.242 -14.570 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 10.813 -8.762 -14.786 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 5.101 -11.089 -2.439 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 4.735 -11.854 -1.996 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 6.014 -11.060 -2.152 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 20.207 -9.158 11.544 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 20.256 -8.548 12.280 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 20.633 -8.697 10.821 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 15.562 -8.133 6.684 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 16.208 -8.462 7.309 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 16.072 -7.615 6.061 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 17.326 -8.842 8.665 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 17.111 -9.608 9.197 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 17.982 -8.370 9.178 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 17.673 -10.127 12.344 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 16.937 -9.516 12.306 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 18.357 -9.712 11.818 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 10.676 -12.040 9.810 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 10.559 -12.989 9.756 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 9.821 -11.708 10.083 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 12.943 -3.203 4.310 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 12.231 -2.668 3.959 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 13.634 -3.147 3.650 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 12.997 -4.745 1.349 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 13.698 -4.723 2.000 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 13.299 -5.373 0.693 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 15.220 -3.831 2.947 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 15.799 -3.681 3.694 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 15.634 -3.360 2.224 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 7.945 -11.137 10.588 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 7.084 -11.224 10.180 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 7.923 -10.281 11.015 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 12.608 -11.415 13.962 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 13.028 -11.830 14.715 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 11.675 -11.593 14.079 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 15.934 -7.659 14.816 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 15.420 -7.785 15.613 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 15.779 -6.747 14.571 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 16.697 -2.798 0.577 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 16.739 -3.021 -0.353 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 17.546 -2.400 0.767 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 13.569 -5.534 5.412 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 13.160 -4.719 5.120 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 14.289 -5.674 4.797 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 9.096 -6.894 4.164 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 10.028 -6.765 4.342 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 8.881 -6.224 3.515 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 15.020 -9.288 10.945 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 14.343 -9.157 11.609 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 14.534 -9.443 10.135 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 7.770 -5.699 1.731 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 7.228 -6.079 1.040 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 8.604 -5.505 1.302 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 15.721 -6.453 3.527 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 16.613 -6.590 3.846 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 15.778 -5.662 2.990 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 13.607 -8.884 13.199 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 14.305 -8.810 13.849 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 13.226 -9.748 13.354 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 14.391 -9.232 4.296 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 14.611 -8.760 3.493 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 14.949 -8.837 4.967 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 11.591 -7.504 5.131 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 12.403 -7.000 5.177 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 11.346 -7.649 6.045 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 12.475 -10.423 6.069 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 12.128 -9.805 6.714 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 13.133 -9.922 5.588 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 8.132 -9.360 2.757 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 8.049 -8.471 3.103 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 9.022 -9.625 2.988 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 18.331 -8.611 15.151 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 17.415 -8.348 15.063 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 18.667 -8.614 14.254 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 9.131 -2.807 2.489 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 8.672 -3.291 3.175 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 9.386 -3.475 1.853 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 10.202 -4.564 0.752 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 10.022 -4.718 -0.176 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 11.153 -4.456 0.796 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 9.978 -11.733 13.852 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 9.880 -10.786 13.746 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 9.235 -12.105 13.376 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 10.200 -12.439 16.523 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 10.912 -13.079 16.509 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 10.099 -12.172 15.609 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 19.062 -6.146 0.938 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 19.159 -5.479 0.258 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 18.922 -6.962 0.456 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 18.310 -8.738 0.055 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 18.920 -9.110 0.692 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 17.473 -9.160 0.251 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 18.556 -9.920 5.070 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 18.738 -10.369 5.895 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 17.956 -10.505 4.606 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 20.422 -9.853 1.598 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 20.835 -10.574 1.122 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 21.104 -9.183 1.656 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 19.387 -11.686 14.755 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 18.574 -11.361 14.367 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 19.620 -12.446 14.222 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 12.817 -10.237 9.078 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 12.142 -10.866 9.333 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 13.381 -10.721 8.475 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 17.959 -12.130 9.190 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 18.563 -11.582 8.689 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 17.090 -11.810 8.950 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 19.686 -10.991 7.524 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 20.298 -11.505 6.997 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 20.069 -10.113 7.547 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 3.980 -11.805 2.703 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 4.419 -11.194 2.112 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 3.346 -11.267 3.177 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 9.723 -11.676 6.713 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 10.597 -11.288 6.683 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 9.587 -11.891 7.636 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 16.633 -11.620 4.055 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 15.930 -11.006 3.845 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 16.188 -12.458 4.186 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 5.841 -9.889 1.146 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 6.332 -10.519 0.618 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 6.464 -9.593 1.809 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 10.867 -9.596 3.603 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 11.045 -10.242 4.286 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 10.813 -8.762 4.070 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 15.496 -12.406 18.135 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 15.572 -12.832 18.989 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 16.389 -12.392 17.793 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 30.860 -35.622 -41.577 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 30.947 -34.796 -41.102 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 29.996 -35.952 -41.328 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 33.731 -36.200 -41.714 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 32.830 -36.017 -41.982 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 33.765 -35.941 -40.793 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 35.606 -33.570 -41.666 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 35.004 -34.125 -42.161 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 35.887 -32.903 -42.292 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 33.764 -35.346 -39.122 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 33.413 -36.202 -38.879 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 34.490 -35.203 -38.515 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 39.155 -33.099 -42.548 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 38.668 -33.834 -42.919 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 39.704 -33.492 -41.870 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 30.980 -33.273 -40.137 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 31.165 -33.607 -39.259 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 31.827 -32.964 -40.459 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 31.249 -31.928 -44.843 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 30.792 -31.399 -45.497 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 31.412 -31.325 -44.118 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 33.576 -33.050 -43.898 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 32.672 -32.885 -44.164 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 34.005 -32.197 -43.964 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 36.181 -31.480 -43.603 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 35.999 -30.564 -43.814 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 36.357 -31.890 -44.450 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 37.528 -34.045 -39.740 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 36.746 -34.231 -40.260 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 37.456 -33.116 -39.523 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 38.964 -35.427 -36.575 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 39.037 -34.488 -36.405 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 39.869 -35.732 -36.632 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 21.933 -38.642 -24.163 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 21.432 -38.670 -24.978 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 21.939 -39.548 -23.853 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 31.274 -31.850 -32.915 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 31.199 -31.971 -33.861 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 31.307 -30.900 -32.796 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 34.376 -32.696 -35.912 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 34.751 -33.440 -36.383 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 34.380 -32.966 -34.994 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 34.045 -32.770 -33.163 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 33.110 -32.670 -32.984 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 34.325 -33.479 -32.585 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 39.654 -32.713 -36.004 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 40.397 -32.127 -36.144 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 38.959 -32.145 -35.671 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 23.379 -34.532 -24.968 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 23.596 -35.464 -24.999 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 23.626 -34.258 -24.084 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 30.916 -34.813 -34.553 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 30.099 -34.316 -34.500 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 31.445 -34.338 -35.193 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 22.590 -32.645 -20.615 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 23.130 -32.862 -19.856 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 22.109 -33.451 -20.805 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 31.279 -34.218 -37.620 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 30.635 -34.849 -37.298 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 32.041 -34.749 -37.852 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 35.883 -34.401 -37.386 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 36.166 -35.195 -36.933 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 36.623 -34.168 -37.947 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 22.497 -38.835 -19.661 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 22.641 -39.737 -19.947 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 21.724 -38.549 -20.149 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 28.956 -31.585 -35.959 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 29.889 -31.427 -35.815 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 28.692 -30.910 -36.584 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 21.173 -31.556 -31.399 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 20.526 -32.018 -31.932 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 21.528 -32.228 -30.816 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 23.715 -35.647 -20.499 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 22.894 -35.472 -20.959 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 23.463 -35.720 -19.578 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 24.071 -31.416 -24.193 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 23.351 -30.976 -24.644 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 23.705 -31.667 -23.344 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 31.601 -32.359 -35.714 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 32.467 -31.993 -35.892 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 31.354 -32.799 -36.527 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 38.310 -32.796 -33.034 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 38.116 -33.544 -33.599 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 38.271 -32.038 -33.618 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 25.303 -36.839 -8.451 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 24.933 -37.641 -8.820 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 26.244 -37.008 -8.404 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 22.623 -41.017 -10.932 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 22.837 -41.787 -10.405 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 23.361 -40.928 -11.535 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 26.483 -37.418 -5.424 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 26.477 -36.539 -5.802 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 25.629 -37.501 -4.999 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 22.604 -37.747 -14.642 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 22.332 -37.518 -15.531 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 22.649 -36.909 -14.182 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 26.336 -34.835 -2.597 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 26.344 -34.971 -3.545 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 25.420 -34.953 -2.345 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 21.933 -38.642 -5.307 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 21.432 -38.670 -6.122 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 21.939 -39.548 -4.997 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 24.928 -33.061 -12.278 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 25.080 -33.409 -11.399 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 24.077 -33.417 -12.533 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 24.182 -37.319 -4.264 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 24.399 -37.680 -3.404 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 23.327 -37.693 -4.474 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 24.761 -38.854 -2.026 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 25.494 -38.600 -1.465 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 23.981 -38.650 -1.511 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 27.572 -33.348 -12.894 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 26.622 -33.243 -12.842 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 27.923 -32.528 -12.549 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 23.301 -35.258 -13.089 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 22.469 -34.785 -13.062 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 23.847 -34.748 -13.688 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 27.187 -33.726 -0.139 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 27.955 -34.185 0.202 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 27.166 -33.952 -1.069 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 22.497 -38.835 -0.805 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 22.641 -39.737 -1.091 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 21.724 -38.549 -1.293 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 22.524 -36.949 -17.620 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 23.438 -36.870 -17.347 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 22.531 -37.636 -18.287 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 22.123 -40.400 -8.287 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 22.307 -40.482 -9.222 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 22.972 -40.524 -7.863 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 23.715 -35.647 -1.643 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 22.894 -35.472 -2.103 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 23.463 -35.720 -0.722 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 26.669 -34.672 -5.384 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 26.244 -33.863 -5.667 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 27.574 -34.587 -5.686 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 26.538 -31.816 -6.307 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 25.673 -31.744 -5.903 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 26.483 -31.269 -7.091 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 25.627 -34.083 -9.771 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 25.408 -34.999 -9.602 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 26.451 -33.943 -9.305 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 28.164 -33.613 -8.923 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 28.377 -34.501 -9.210 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 28.229 -33.647 -7.968 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 22.737 -33.569 -15.255 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 22.052 -33.607 -15.923 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 22.740 -32.656 -14.967 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 24.555 -32.649 -18.230 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 24.287 -32.362 -17.357 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 25.326 -33.195 -18.078 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 22.524 -36.949 1.236 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 23.438 -36.870 1.509 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 22.531 -37.636 0.569 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 21.173 -31.556 6.313 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 20.526 -32.018 5.780 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 21.528 -32.228 6.896 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 22.737 -33.569 3.601 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 22.052 -33.607 2.933 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 22.740 -32.656 3.889 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 24.555 -32.649 0.626 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 24.287 -32.362 1.499 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 25.326 -33.195 0.778 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 32.011 -22.048 -46.291 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 31.973 -22.694 -45.586 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 31.688 -22.514 -47.062 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 22.623 -22.161 -48.644 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 22.837 -22.931 -48.117 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 23.361 -22.072 -49.247 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 30.400 -19.615 -45.885 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 30.704 -20.301 -46.479 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 31.122 -19.497 -45.267 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 39.063 -28.014 -45.024 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 39.112 -27.404 -44.288 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 39.489 -27.553 -45.747 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 33.541 -25.221 -45.557 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 33.684 -26.168 -45.537 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 33.435 -25.014 -46.486 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 23.316 -24.723 -47.523 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 23.970 -25.273 -47.091 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 23.340 -24.997 -48.439 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 28.472 -23.173 -48.307 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 29.088 -23.699 -47.798 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 27.886 -23.813 -48.711 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 39.455 -26.536 -42.788 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 38.766 -25.878 -42.883 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 39.470 -26.733 -41.851 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 25.506 -28.202 -44.211 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 25.287 -27.672 -44.977 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 24.838 -27.975 -43.563 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 25.100 -26.310 -46.258 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 25.713 -25.677 -45.885 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 25.612 -26.782 -46.915 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 36.529 -28.983 -44.224 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 35.793 -28.372 -44.262 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 37.213 -28.568 -44.750 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 35.102 -23.675 -42.238 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 35.182 -22.912 -41.666 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 34.501 -23.396 -42.929 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 28.217 -17.791 -46.742 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 28.122 -18.369 -47.499 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 28.946 -18.162 -46.246 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 27.217 -22.450 -45.790 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 27.782 -22.329 -46.553 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 27.536 -21.813 -45.151 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 30.860 -16.766 -41.577 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 30.947 -15.940 -41.102 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 29.996 -17.096 -41.328 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 37.033 -24.847 -39.973 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 36.626 -24.366 -40.693 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 37.074 -25.752 -40.280 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 31.464 -30.271 -42.606 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 31.884 -30.686 -41.853 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 30.531 -30.449 -42.489 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 26.892 -25.027 -44.885 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 26.250 -25.068 -44.176 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 26.929 -24.101 -45.123 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 24.642 -24.707 -43.018 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 24.604 -24.307 -42.150 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 24.151 -25.524 -42.928 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 32.693 -23.306 -43.671 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 33.017 -23.937 -44.314 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 32.253 -23.841 -43.010 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 33.876 -28.144 -45.623 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 33.199 -28.013 -44.959 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 33.390 -28.299 -46.433 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 30.791 -24.591 -47.000 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 31.355 -25.138 -47.547 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 30.643 -25.113 -46.211 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 29.417 -26.203 -44.586 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 28.582 -25.749 -44.476 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 29.941 -25.927 -43.834 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 25.086 -20.695 -47.132 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 25.831 -20.697 -47.733 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 25.164 -21.519 -46.650 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 33.731 -17.344 -41.714 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 32.830 -17.161 -41.982 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 33.765 -17.085 -40.793 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 27.461 -17.177 -49.727 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 27.988 -16.404 -49.928 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 26.581 -16.952 -50.029 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 29.403 -15.365 -43.836 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 29.766 -14.510 -44.069 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 29.935 -15.657 -43.095 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 32.947 -19.266 -44.135 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 32.521 -19.493 -43.309 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 33.528 -20.004 -44.318 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 23.728 -27.481 -42.259 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 22.835 -27.142 -42.326 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 23.629 -28.336 -41.841 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 32.463 -27.740 -43.369 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 33.161 -27.666 -42.719 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 32.082 -28.604 -43.214 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 30.983 -25.374 -42.252 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 31.102 -24.800 -41.495 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 31.638 -26.062 -42.137 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 33.764 -16.490 -39.122 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 33.413 -17.346 -38.879 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 34.490 -16.347 -38.515 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 34.887 -20.093 -41.701 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 35.632 -19.505 -41.821 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 34.130 -19.511 -41.638 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 27.616 -26.415 -40.640 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 27.766 -27.144 -41.243 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 27.618 -25.638 -41.199 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 28.028 -28.045 -43.148 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 28.564 -27.594 -43.800 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 27.176 -28.153 -43.570 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 35.342 -22.002 -39.802 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 35.061 -21.293 -40.380 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 36.285 -22.075 -39.953 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 28.834 -30.589 -42.716 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 28.736 -29.642 -42.822 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 28.091 -30.961 -43.192 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 24.275 -27.296 -39.024 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 24.486 -28.003 -39.635 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 24.163 -27.734 -38.180 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 29.056 -31.295 -40.045 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 29.768 -31.935 -40.059 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 28.955 -31.028 -40.959 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 29.409 -29.612 -37.991 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 29.278 -30.088 -38.812 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 28.810 -28.868 -38.047 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 22.043 -14.619 -48.450 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 21.709 -15.500 -48.278 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 22.265 -14.274 -47.586 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 37.606 -18.453 -37.910 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 36.740 -18.558 -37.516 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 37.982 -17.694 -37.463 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 37.944 -21.652 -40.370 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 38.527 -22.386 -40.179 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 38.508 -20.880 -40.324 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 39.441 -23.749 -39.686 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 38.578 -24.128 -39.851 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 40.045 -24.488 -39.760 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 37.439 -24.721 -43.335 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 36.596 -24.453 -42.969 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 37.882 -23.899 -43.546 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 21.721 -26.273 -39.858 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 22.640 -26.395 -39.622 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 21.271 -27.023 -39.469 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 39.722 -30.741 -37.981 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 40.072 -31.395 -38.587 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 39.869 -29.904 -38.421 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 21.246 -24.962 -45.898 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 21.738 -25.183 -46.688 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 21.608 -24.121 -45.617 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 39.242 -28.632 -39.632 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 38.325 -28.361 -39.668 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 39.365 -29.167 -40.416 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 30.980 -14.417 -40.137 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 31.165 -14.751 -39.259 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 31.827 -14.108 -40.459 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 38.243 -30.542 -41.813 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 37.430 -30.217 -42.201 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 38.476 -31.302 -42.346 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 24.071 -12.560 -43.049 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 23.351 -12.120 -43.500 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 23.705 -12.811 -42.200 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 26.538 -12.960 -44.019 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 25.673 -12.888 -43.615 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 26.483 -12.413 -44.803 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 31.249 -13.072 -44.843 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 30.792 -12.543 -45.497 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 31.412 -12.469 -44.118 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 23.486 -13.937 -46.138 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 23.467 -14.362 -45.281 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 24.291 -14.255 -46.547 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 25.627 -15.227 -47.483 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 25.408 -16.143 -47.314 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 26.451 -15.087 -47.017 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 28.164 -14.757 -46.635 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 28.377 -15.645 -46.922 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 28.229 -14.791 -45.680 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 23.957 -29.945 -40.151 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 23.591 -30.710 -39.708 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 24.870 -29.916 -39.864 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 25.930 -30.594 -38.615 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 26.829 -30.868 -38.800 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 25.544 -31.337 -38.151 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 33.078 -21.303 -30.854 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 33.167 -20.359 -30.986 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 32.439 -21.578 -31.512 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 32.011 -22.048 -27.435 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 31.973 -22.694 -26.730 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 31.688 -22.514 -28.206 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 21.913 -24.323 -31.914 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 21.465 -23.477 -31.932 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 21.352 -24.903 -32.429 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 26.696 -27.120 -29.429 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 26.739 -26.260 -29.847 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 26.238 -27.672 -30.062 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 34.418 -26.989 -31.028 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 35.064 -27.318 -30.403 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 34.928 -26.471 -31.651 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 28.472 -23.173 -29.451 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 29.088 -23.699 -28.942 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 27.886 -23.813 -29.855 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 32.875 -18.702 -31.811 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 32.579 -19.024 -32.662 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 32.551 -17.802 -31.769 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 22.604 -18.891 -33.498 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 22.332 -18.662 -34.387 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 22.649 -18.053 -33.038 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 35.640 -17.587 -31.651 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 35.383 -18.277 -32.263 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 35.711 -18.030 -30.806 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 35.205 -21.849 -32.450 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 34.473 -21.621 -31.877 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 35.652 -22.563 -31.995 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 26.850 -21.219 -30.567 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 26.520 -21.589 -31.386 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 27.438 -21.889 -30.221 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 31.802 -15.950 -31.330 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 32.276 -15.655 -30.552 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 31.239 -15.212 -31.563 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 37.774 -30.937 -34.952 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 36.875 -30.798 -34.657 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 38.026 -30.106 -35.354 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 25.840 -22.149 -32.978 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 25.548 -21.381 -33.469 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 25.166 -22.809 -33.141 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 34.376 -13.840 -35.912 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 34.751 -14.584 -36.383 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 34.380 -14.110 -34.994 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 35.553 -21.654 -37.135 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 35.595 -21.877 -38.065 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 36.402 -21.256 -36.945 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 26.889 -24.806 -31.117 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 25.996 -25.147 -31.176 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 27.340 -25.183 -31.873 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 33.429 -24.944 -29.486 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 33.234 -24.339 -30.201 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 33.611 -25.778 -29.921 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 21.250 -27.591 -30.312 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 21.881 -27.620 -29.592 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 21.700 -28.016 -31.042 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 22.525 -26.845 -34.888 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 22.999 -26.254 -35.473 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 21.807 -26.314 -34.541 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 29.471 -27.379 -30.031 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 28.560 -27.322 -29.742 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 29.976 -27.439 -29.220 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 24.299 -25.750 -31.204 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 23.410 -25.650 -31.544 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 24.595 -26.592 -31.550 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 30.791 -24.591 -28.144 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 31.355 -25.138 -28.691 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 30.643 -25.113 -27.355 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 25.793 -28.455 -31.726 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 25.476 -29.357 -31.761 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 26.574 -28.453 -32.278 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 39.462 -25.099 -34.491 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 38.908 -25.495 -35.163 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 39.563 -24.189 -34.768 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 27.461 -17.177 -30.871 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 27.988 -16.404 -31.072 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 26.581 -16.952 -31.173 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 28.888 -19.514 -31.295 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 28.647 -18.589 -31.253 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 28.148 -19.973 -30.899 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 27.572 -14.492 -31.750 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 26.622 -14.387 -31.698 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 27.923 -13.672 -31.405 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 35.150 -18.337 -36.205 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 35.503 -18.717 -35.401 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 34.201 -18.430 -36.119 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 36.016 -19.664 -33.979 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 35.739 -20.392 -33.423 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 36.943 -19.545 -33.773 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 24.631 -20.402 -34.792 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 23.945 -20.050 -34.225 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 25.154 -19.639 -35.038 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 30.916 -15.957 -34.553 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 30.099 -15.460 -34.500 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 31.445 -15.482 -35.193 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 31.331 -29.279 -31.643 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 30.984 -28.661 -30.998 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 31.989 -28.778 -32.124 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 28.254 -14.914 -34.571 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 28.415 -14.114 -35.072 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 28.057 -14.607 -33.686 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 26.988 -28.216 -34.955 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 26.905 -27.327 -34.609 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 27.878 -28.481 -34.724 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 25.247 -17.788 -35.895 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 25.839 -17.089 -35.619 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 25.706 -18.221 -36.614 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 23.563 -25.124 -36.779 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 23.518 -24.185 -36.600 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 22.675 -25.360 -37.049 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 23.301 -16.402 -31.945 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 22.469 -15.929 -31.918 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 23.847 -15.892 -32.544 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 31.279 -15.362 -37.620 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 30.635 -15.993 -37.298 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 32.041 -15.893 -37.852 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 35.883 -15.545 -37.386 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 36.166 -16.339 -36.933 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 36.623 -15.312 -37.947 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 38.448 -21.065 -37.515 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 38.175 -21.490 -38.328 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 38.488 -20.134 -37.732 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 24.275 -27.296 -20.168 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 24.486 -28.003 -20.779 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 24.163 -27.734 -19.324 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 28.956 -12.729 -35.959 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 29.889 -12.571 -35.815 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 28.692 -12.054 -36.584 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 21.173 -12.700 -31.399 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 20.526 -13.162 -31.932 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 21.528 -13.372 -30.816 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 37.918 -25.002 -36.774 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 38.015 -24.335 -37.454 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 37.778 -25.818 -37.256 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 37.088 -23.622 -31.153 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 36.938 -24.567 -31.173 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 36.734 -23.341 -30.309 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 36.798 -26.039 -32.691 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 37.078 -26.946 -32.566 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 37.557 -25.605 -33.080 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 21.721 -26.273 -21.002 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 22.640 -26.395 -20.766 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 21.271 -27.023 -20.613 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 37.412 -28.776 -32.642 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 37.594 -29.225 -31.817 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 36.812 -29.361 -33.106 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 21.246 -24.962 -27.042 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 21.738 -25.183 -27.832 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 21.608 -24.121 -26.761 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 39.278 -28.709 -36.114 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 39.691 -29.430 -36.590 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 39.960 -28.039 -36.056 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 21.559 -28.704 -32.987 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 20.634 -28.495 -33.117 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 22.013 -28.220 -33.677 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 21.523 -29.966 -24.643 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 20.858 -30.212 -24.000 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 21.080 -29.344 -25.220 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 31.673 -29.093 -28.634 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 30.998 -29.722 -28.379 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 32.237 -29.577 -29.237 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 28.579 -30.532 -30.999 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 29.453 -30.144 -31.029 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 28.443 -30.747 -30.076 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 35.489 -30.476 -33.657 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 34.786 -29.862 -33.867 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 35.044 -31.314 -33.526 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 22.737 -14.713 -34.111 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 22.052 -14.751 -34.779 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 22.740 -13.800 -33.823 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 24.697 -28.745 -36.566 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 25.188 -29.375 -37.094 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 25.320 -28.449 -35.903 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 31.601 -13.503 -35.714 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 32.467 -13.137 -35.892 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 31.354 -13.943 -36.527 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 23.957 -29.945 -21.295 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 23.591 -30.710 -20.852 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 24.870 -29.916 -21.008 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 25.930 -30.594 -19.759 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 26.829 -30.868 -19.944 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 25.544 -31.337 -19.295 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 24.555 -13.793 -37.086 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 24.287 -13.506 -36.213 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 25.326 -14.339 -36.934 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 25.303 -17.983 -8.451 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 24.933 -18.785 -8.820 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 26.244 -18.152 -8.404 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 28.472 -23.173 -10.595 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 29.088 -23.699 -10.086 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 27.886 -23.813 -10.999 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 25.506 -28.202 -6.499 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 25.287 -27.672 -7.265 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 24.838 -27.975 -5.851 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 28.075 -20.526 -6.211 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 27.335 -19.928 -6.108 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 28.789 -19.972 -6.527 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 26.483 -18.562 -5.424 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 26.477 -17.683 -5.802 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 25.629 -18.645 -4.999 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 22.604 -18.891 -14.642 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 22.332 -18.662 -15.531 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 22.649 -18.053 -14.182 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 29.532 -30.896 -9.046 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 29.415 -31.845 -9.100 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 28.677 -30.564 -8.773 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 26.850 -21.219 -11.711 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 26.520 -21.589 -12.530 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 27.438 -21.889 -11.365 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 27.217 -22.450 -8.078 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 27.782 -22.329 -8.841 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 27.536 -21.813 -7.439 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 28.097 -18.051 -3.361 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 27.785 -17.269 -2.905 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 27.447 -18.204 -4.047 0.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 26.336 -15.979 -2.597 0.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 26.344 -16.115 -3.545 0.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 25.420 -16.097 -2.345 0.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 25.840 -22.149 -14.122 0.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 25.548 -21.381 -14.613 0.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 25.166 -22.809 -14.285 0.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 21.684 -17.006 -8.423 0.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 22.630 -17.150 -8.442 0.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 21.571 -16.222 -7.886 0.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 24.182 -18.463 -4.264 0.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 24.399 -18.824 -3.404 0.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 23.327 -18.837 -4.474 0.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 26.801 -29.993 -8.268 0.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 25.940 -30.080 -8.676 0.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 26.779 -29.137 -7.841 0.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 22.525 -26.845 -16.032 0.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 22.999 -26.254 -16.617 0.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 21.807 -26.314 -15.685 0.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 29.471 -27.379 -11.175 0.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 28.560 -27.322 -10.886 0.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 29.976 -27.439 -10.364 0.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 27.952 -25.750 -14.692 0.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 28.884 -25.621 -14.514 0.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 27.737 -25.080 -15.341 0.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 26.626 -24.555 -17.125 0.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 26.084 -24.935 -17.816 0.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 27.460 -24.361 -17.554 0.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 24.761 -19.998 -2.026 0.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 25.494 -19.744 -1.465 0.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 23.981 -19.794 -1.511 0.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 30.791 -24.591 -9.288 0.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 31.355 -25.138 -9.835 0.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 30.643 -25.113 -8.499 0.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 29.417 -26.203 -6.874 0.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 28.582 -25.749 -6.764 0.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 29.941 -25.927 -6.122 0.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 25.086 -20.695 -9.420 0.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 25.831 -20.697 -10.021 0.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 25.164 -21.519 -8.938 0.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 29.111 -22.717 -1.892 0.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 28.815 -22.883 -2.787 0.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 30.042 -22.937 -1.902 0.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 23.216 -22.315 -17.428 0.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 23.832 -21.688 -17.049 0.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 22.354 -21.999 -17.157 0.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 28.888 -19.514 -12.439 0.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 28.647 -18.589 -12.397 0.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 28.148 -19.973 -12.043 0.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 23.379 -15.676 -6.112 0.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 23.596 -16.608 -6.143 0.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 23.626 -15.402 -5.228 0.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 24.631 -20.402 -15.936 0.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 23.945 -20.050 -15.369 0.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 25.154 -19.639 -16.182 0.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 30.447 -26.360 -13.725 0.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 31.259 -25.856 -13.679 0.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 30.202 -26.505 -12.811 0.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 31.331 -29.279 -12.787 0.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 30.984 -28.661 -12.142 0.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 31.989 -28.778 -13.268 0.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 26.988 -28.216 -16.099 0.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 26.905 -27.327 -15.753 0.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 27.878 -28.481 -15.868 0.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 23.563 -25.124 -17.923 0.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 23.518 -24.185 -17.744 0.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 22.675 -25.360 -18.193 0.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 24.371 -30.342 -9.250 0.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 24.142 -30.283 -10.177 0.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 23.928 -31.134 -8.943 0.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 22.590 -13.789 -1.759 0.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 23.130 -14.006 -1.000 0.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 22.109 -14.595 -1.949 0.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 27.187 -14.870 -0.139 0.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 27.955 -15.329 0.202 0.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 27.166 -15.096 -1.069 0.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 29.152 -20.009 -1.372 0.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 28.824 -19.738 -2.230 0.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 29.304 -20.950 -1.460 0.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 27.987 -21.663 -16.367 0.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 27.528 -22.147 -15.681 0.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 28.242 -22.331 -17.003 0.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 27.276 -23.770 -4.011 0.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 26.658 -23.095 -3.730 0.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 27.620 -23.449 -4.844 0.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 27.616 -26.415 -2.928 0.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 27.766 -27.144 -3.531 0.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 27.618 -25.638 -3.487 0.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 28.028 -28.045 -5.436 0.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 28.564 -27.594 -6.088 0.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 27.176 -28.153 -5.858 0.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 29.610 -22.606 -5.196 0.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 30.361 -22.762 -5.769 0.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 29.271 -21.754 -5.472 0.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 26.094 -25.217 -1.017 0.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 25.327 -25.749 -1.227 0.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 26.773 -25.527 -1.616 0.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 28.834 -30.589 -5.004 0.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 28.736 -29.642 -5.110 0.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 28.091 -30.961 -5.480 0.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 22.524 -18.093 -17.620 0.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 23.438 -18.014 -17.347 0.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 22.531 -18.780 -18.287 0.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 22.123 -21.544 -8.287 0.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 22.307 -21.626 -9.222 0.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 22.972 -21.668 -7.863 0.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 23.715 -16.791 -1.643 0.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 22.894 -16.616 -2.103 0.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 23.463 -16.864 -0.722 0.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 26.669 -15.816 -5.384 0.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 26.244 -15.007 -5.667 0.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 27.574 -15.731 -5.686 0.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 24.071 -12.560 -5.337 0.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 23.351 -12.120 -5.788 0.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 23.705 -12.811 -4.488 0.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 31.673 -29.093 -9.778 0.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 30.998 -29.722 -9.523 0.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 32.237 -29.577 -10.381 0.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 22.836 -30.661 -16.153 0.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 23.275 -30.050 -16.744 0.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 22.202 -30.123 -15.679 0.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 28.579 -30.532 -12.143 0.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 29.453 -30.144 -12.173 0.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 28.443 -30.747 -11.220 0.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 24.697 -28.745 -17.710 0.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 25.188 -29.375 -18.238 0.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 25.320 -28.449 -17.047 0.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 29.723 -28.452 -15.253 0.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 29.901 -29.098 -14.570 0.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 29.669 -27.618 -14.786 0.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 23.957 -29.945 -2.439 0.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 23.591 -30.710 -1.996 0.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 24.870 -29.916 -2.152 0.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 25.930 -30.594 -0.903 0.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 26.829 -30.868 -1.088 0.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 25.544 -31.337 -0.439 0.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 22.623 -22.161 7.924 0.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 22.837 -22.931 8.451 0.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 23.361 -22.072 7.321 0.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 23.316 -24.723 9.045 0.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 23.970 -25.273 9.477 0.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 23.340 -24.997 8.129 0.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 25.840 -22.149 4.734 0.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 25.548 -21.381 4.243 0.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 25.166 -22.809 4.571 0.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 21.933 -19.786 13.549 0.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 21.432 -19.814 12.734 0.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 21.939 -20.692 13.859 0.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 21.684 -17.006 10.433 0.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 22.630 -17.150 10.414 0.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 21.571 -16.222 10.970 0.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 26.889 -24.806 6.595 0.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 25.996 -25.147 6.536 0.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 27.340 -25.183 5.839 0.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 28.008 -27.333 0.348 0.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 27.577 -27.778 1.078 0.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 27.290 -26.961 -0.164 0.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 21.250 -27.591 7.400 0.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 21.881 -27.620 8.120 0.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 21.700 -28.016 6.670 0.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 24.299 -25.750 6.508 0.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 23.410 -25.650 6.168 0.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 24.595 -26.592 6.162 0.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 27.952 -25.750 4.164 0.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 28.884 -25.621 4.342 0.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 27.737 -25.080 3.515 0.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 26.626 -24.555 1.731 0.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 26.084 -24.935 1.040 0.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 27.460 -24.361 1.302 0.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 25.793 -28.455 5.986 0.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 25.476 -29.357 5.951 0.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 26.574 -28.453 5.434 0.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 23.379 -15.676 12.744 0.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 23.596 -16.608 12.713 0.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 23.626 -15.402 13.628 0.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 28.178 -17.655 2.410 0.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 28.325 -18.175 3.200 0.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 28.175 -16.748 2.716 0.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 24.631 -20.402 2.920 0.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 23.945 -20.050 3.487 0.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 25.154 -19.639 2.674 0.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 26.988 -28.216 2.757 0.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 26.905 -27.327 3.103 0.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 27.878 -28.481 2.988 0.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 25.247 -17.788 1.817 0.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 25.839 -17.089 2.093 0.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 25.706 -18.221 1.098 0.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 23.301 -16.402 5.767 0.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 22.469 -15.929 5.794 0.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 23.847 -15.892 5.168 0.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 26.838 -19.635 0.183 0.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 26.902 -20.429 0.714 0.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 27.491 -19.754 -0.506 0.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 27.987 -21.663 2.489 0.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 27.528 -22.147 3.175 0.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 28.242 -22.331 1.853 0.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 29.058 -23.420 0.752 0.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 28.878 -23.574 -0.176 0.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 30.009 -23.312 0.796 0.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 21.173 -12.700 6.313 0.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 20.526 -13.162 5.780 0.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 21.528 -13.372 6.896 0.00 0.00 WAT1 ATOM 4731 OH2 TIP3 1099 22.043 -14.619 8.118 0.00 0.00 WAT1 ATOM 4732 H1 TIP3 1099 21.709 -15.500 8.290 0.00 0.00 WAT1 ATOM 4733 H2 TIP3 1099 22.265 -14.274 8.982 0.00 0.00 WAT1 ATOM 4734 OH2 TIP3 1100 22.123 -21.544 10.569 0.00 0.00 WAT1 ATOM 4735 H1 TIP3 1100 22.307 -21.626 9.634 0.00 0.00 WAT1 ATOM 4736 H2 TIP3 1100 22.972 -21.668 10.993 0.00 0.00 WAT1 ATOM 4737 OH2 TIP3 1101 22.942 -27.961 9.601 0.00 0.00 WAT1 ATOM 4738 H1 TIP3 1101 23.387 -28.753 9.903 0.00 0.00 WAT1 ATOM 4739 H2 TIP3 1101 23.408 -27.245 10.032 0.00 0.00 WAT1 ATOM 4740 OH2 TIP3 1102 21.246 -24.962 10.670 0.00 0.00 WAT1 ATOM 4741 H1 TIP3 1102 21.738 -25.183 9.880 0.00 0.00 WAT1 ATOM 4742 H2 TIP3 1102 21.608 -24.121 10.951 0.00 0.00 WAT1 ATOM 4743 OH2 TIP3 1103 21.559 -28.704 4.725 0.00 0.00 WAT1 ATOM 4744 H1 TIP3 1103 20.634 -28.495 4.595 0.00 0.00 WAT1 ATOM 4745 H2 TIP3 1103 22.013 -28.220 4.035 0.00 0.00 WAT1 ATOM 4746 OH2 TIP3 1104 23.486 -13.937 10.430 0.00 0.00 WAT1 ATOM 4747 H1 TIP3 1104 23.467 -14.362 11.287 0.00 0.00 WAT1 ATOM 4748 H2 TIP3 1104 24.291 -14.255 10.021 0.00 0.00 WAT1 ATOM 4749 OH2 TIP3 1105 23.999 -30.459 6.900 0.00 0.00 WAT1 ATOM 4750 H1 TIP3 1105 23.222 -30.693 6.392 0.00 0.00 WAT1 ATOM 4751 H2 TIP3 1105 24.530 -31.256 6.908 0.00 0.00 WAT1 ATOM 4752 OH2 TIP3 1106 22.836 -30.661 2.703 0.00 0.00 WAT1 ATOM 4753 H1 TIP3 1106 23.275 -30.050 2.112 0.00 0.00 WAT1 ATOM 4754 H2 TIP3 1106 22.202 -30.123 3.177 0.00 0.00 WAT1 ATOM 4755 OH2 TIP3 1107 22.737 -14.713 3.601 0.00 0.00 WAT1 ATOM 4756 H1 TIP3 1107 22.052 -14.751 2.933 0.00 0.00 WAT1 ATOM 4757 H2 TIP3 1107 22.740 -13.800 3.889 0.00 0.00 WAT1 ATOM 4758 OH2 TIP3 1108 24.697 -28.745 1.146 0.00 0.00 WAT1 ATOM 4759 H1 TIP3 1108 25.188 -29.375 0.618 0.00 0.00 WAT1 ATOM 4760 H2 TIP3 1108 25.320 -28.449 1.809 0.00 0.00 WAT1 ATOM 4761 OH2 TIP3 1109 24.555 -13.793 0.626 0.00 0.00 WAT1 ATOM 4762 H1 TIP3 1109 24.287 -13.506 1.499 0.00 0.00 WAT1 ATOM 4763 H2 TIP3 1109 25.326 -14.339 0.778 0.00 0.00 WAT1 ATOM 4764 OH2 TIP3 1110 25.506 -9.346 -44.211 0.00 0.00 WAT1 ATOM 4765 H1 TIP3 1110 25.287 -8.816 -44.977 0.00 0.00 WAT1 ATOM 4766 H2 TIP3 1110 24.838 -9.119 -43.563 0.00 0.00 WAT1 ATOM 4767 OH2 TIP3 1111 26.801 -11.137 -45.980 0.00 0.00 WAT1 ATOM 4768 H1 TIP3 1111 25.940 -11.224 -46.388 0.00 0.00 WAT1 ATOM 4769 H2 TIP3 1111 26.779 -10.281 -45.553 0.00 0.00 WAT1 ATOM 4770 OH2 TIP3 1112 23.728 -8.625 -42.259 0.00 0.00 WAT1 ATOM 4771 H1 TIP3 1112 22.835 -8.286 -42.326 0.00 0.00 WAT1 ATOM 4772 H2 TIP3 1112 23.629 -9.480 -41.841 0.00 0.00 WAT1 ATOM 4773 OH2 TIP3 1113 24.371 -11.486 -46.962 0.00 0.00 WAT1 ATOM 4774 H1 TIP3 1113 24.142 -11.427 -47.889 0.00 0.00 WAT1 ATOM 4775 H2 TIP3 1113 23.928 -12.278 -46.655 0.00 0.00 WAT1 ATOM 4776 OH2 TIP3 1114 28.834 -11.733 -42.716 0.00 0.00 WAT1 ATOM 4777 H1 TIP3 1114 28.736 -10.786 -42.822 0.00 0.00 WAT1 ATOM 4778 H2 TIP3 1114 28.091 -12.105 -43.192 0.00 0.00 WAT1 ATOM 4779 OH2 TIP3 1115 24.275 -8.440 -39.024 0.00 0.00 WAT1 ATOM 4780 H1 TIP3 1115 24.486 -9.147 -39.635 0.00 0.00 WAT1 ATOM 4781 H2 TIP3 1115 24.163 -8.878 -38.180 0.00 0.00 WAT1 ATOM 4782 OH2 TIP3 1116 29.056 -12.439 -40.045 0.00 0.00 WAT1 ATOM 4783 H1 TIP3 1116 29.768 -13.079 -40.059 0.00 0.00 WAT1 ATOM 4784 H2 TIP3 1116 28.955 -12.172 -40.959 0.00 0.00 WAT1 ATOM 4785 OH2 TIP3 1117 29.409 -10.756 -37.991 0.00 0.00 WAT1 ATOM 4786 H1 TIP3 1117 29.278 -11.232 -38.812 0.00 0.00 WAT1 ATOM 4787 H2 TIP3 1117 28.810 -10.012 -38.047 0.00 0.00 WAT1 ATOM 4788 OH2 TIP3 1118 21.523 -11.110 -43.499 0.00 0.00 WAT1 ATOM 4789 H1 TIP3 1118 20.858 -11.356 -42.856 0.00 0.00 WAT1 ATOM 4790 H2 TIP3 1118 21.080 -10.488 -44.076 0.00 0.00 WAT1 ATOM 4791 OH2 TIP3 1119 23.957 -11.089 -40.151 0.00 0.00 WAT1 ATOM 4792 H1 TIP3 1119 23.591 -11.854 -39.708 0.00 0.00 WAT1 ATOM 4793 H2 TIP3 1119 24.870 -11.060 -39.864 0.00 0.00 WAT1 ATOM 4794 OH2 TIP3 1120 25.930 -11.738 -38.615 0.00 0.00 WAT1 ATOM 4795 H1 TIP3 1120 26.829 -12.012 -38.800 0.00 0.00 WAT1 ATOM 4796 H2 TIP3 1120 25.544 -12.481 -38.151 0.00 0.00 WAT1 ATOM 4797 OH2 TIP3 1121 21.559 -9.848 -32.987 0.00 0.00 WAT1 ATOM 4798 H1 TIP3 1121 20.634 -9.639 -33.117 0.00 0.00 WAT1 ATOM 4799 H2 TIP3 1121 22.013 -9.364 -33.677 0.00 0.00 WAT1 ATOM 4800 OH2 TIP3 1122 22.836 -11.805 -35.009 0.00 0.00 WAT1 ATOM 4801 H1 TIP3 1122 23.275 -11.194 -35.600 0.00 0.00 WAT1 ATOM 4802 H2 TIP3 1122 22.202 -11.267 -34.535 0.00 0.00 WAT1 ATOM 4803 OH2 TIP3 1123 24.697 -9.889 -36.566 0.00 0.00 WAT1 ATOM 4804 H1 TIP3 1123 25.188 -10.519 -37.094 0.00 0.00 WAT1 ATOM 4805 H2 TIP3 1123 25.320 -9.593 -35.903 0.00 0.00 WAT1 ATOM 4806 OH2 TIP3 1124 21.523 -11.110 -5.787 0.00 0.00 WAT1 ATOM 4807 H1 TIP3 1124 20.858 -11.356 -5.144 0.00 0.00 WAT1 ATOM 4808 H2 TIP3 1124 21.080 -10.488 -6.364 0.00 0.00 WAT1 ATOM 4809 OH2 TIP3 1125 23.957 -11.089 -2.439 0.00 0.00 WAT1 ATOM 4810 H1 TIP3 1125 23.591 -11.854 -1.996 0.00 0.00 WAT1 ATOM 4811 H2 TIP3 1125 24.870 -11.060 -2.152 0.00 0.00 WAT1 ATOM 4812 OH2 TIP3 1126 21.559 -9.848 4.725 0.00 0.00 WAT1 ATOM 4813 H1 TIP3 1126 20.634 -9.639 4.595 0.00 0.00 WAT1 ATOM 4814 H2 TIP3 1126 22.013 -9.364 4.035 0.00 0.00 WAT1 ATOM 4815 OH2 TIP3 1127 21.523 -11.110 13.069 0.00 0.00 WAT1 ATOM 4816 H1 TIP3 1127 20.858 -11.356 13.712 0.00 0.00 WAT1 ATOM 4817 H2 TIP3 1127 21.080 -10.488 12.492 0.00 0.00 WAT1 ATOM 4818 OH2 TIP3 1128 22.836 -11.805 2.703 0.00 0.00 WAT1 ATOM 4819 H1 TIP3 1128 23.275 -11.194 2.112 0.00 0.00 WAT1 ATOM 4820 H2 TIP3 1128 22.202 -11.267 3.177 0.00 0.00 WAT1 ATOM 4821 OH2 TIP3 1129 41.446 -32.645 -39.471 0.00 0.00 WAT1 ATOM 4822 H1 TIP3 1129 41.986 -32.862 -38.712 0.00 0.00 WAT1 ATOM 4823 H2 TIP3 1129 40.965 -33.451 -39.661 0.00 0.00 WAT1 ATOM 4824 OH2 TIP3 1130 40.577 -26.273 -39.858 0.00 0.00 WAT1 ATOM 4825 H1 TIP3 1130 41.496 -26.395 -39.622 0.00 0.00 WAT1 ATOM 4826 H2 TIP3 1130 40.127 -27.023 -39.469 0.00 0.00 WAT1 ATOM 4827 OH2 TIP3 1131 40.379 -29.966 -43.499 0.00 0.00 WAT1 ATOM 4828 H1 TIP3 1131 39.714 -30.212 -42.856 0.00 0.00 WAT1 ATOM 4829 H2 TIP3 1131 39.936 -29.344 -44.076 0.00 0.00 WAT1 ATOM 4830 OH2 TIP3 1132 41.381 -26.845 -34.888 0.00 0.00 WAT1 ATOM 4831 H1 TIP3 1132 41.855 -26.254 -35.473 0.00 0.00 WAT1 ATOM 4832 H2 TIP3 1132 40.663 -26.314 -34.541 0.00 0.00 WAT1 ATOM 4833 OH2 TIP3 1133 40.415 -28.704 -32.987 0.00 0.00 WAT1 ATOM 4834 H1 TIP3 1133 39.490 -28.495 -33.117 0.00 0.00 WAT1 ATOM 4835 H2 TIP3 1133 40.869 -28.220 -33.677 0.00 0.00 WAT1 END