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 14:05:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 5.861 -15.353 8.561 1.00 13.22 ATOM 2 CB MET 1 7.293 -14.065 9.494 1.00 42.11 ATOM 3 HB1 MET 1 7.446 -14.710 10.349 1.00 38.14 ATOM 4 HB2 MET 1 6.519 -13.347 9.729 1.00 22.43 ATOM 5 CG MET 1 8.581 -13.307 9.215 1.00 62.31 ATOM 6 HG1 MET 1 8.363 -12.491 8.542 1.00 38.14 ATOM 7 HG2 MET 1 9.298 -13.967 8.755 1.00 23.32 ATOM 8 SD MET 1 9.325 -12.629 10.710 1.00 5.53 ATOM 9 CE MET 1 10.413 -11.388 10.014 1.00 44.22 ATOM 10 HE1 MET 1 9.830 -10.669 9.457 1.00 54.33 ATOM 11 HE2 MET 1 11.125 -11.862 9.354 1.00 21.53 ATOM 12 HE3 MET 1 10.941 -10.884 10.810 1.00 63.24 ATOM 13 C MET 1 6.685 -14.074 7.067 1.00 34.03 ATOM 14 O MET 1 5.620 -13.518 6.800 1.00 31.54 ATOM 15 N MET 1 7.761 -16.028 8.099 1.00 55.20 ATOM 16 HT1 MET 1 7.762 -16.662 8.925 1.00 38.14 ATOM 17 HT2 MET 1 8.731 -15.695 7.947 1.00 38.14 ATOM 18 HT3 MET 1 7.470 -16.587 7.269 1.00 38.14 ATOM 19 CA MET 1 6.826 -14.930 8.322 1.00 65.23 ATOM 20 N GLY 2 7.766 -13.972 6.300 1.00 0.33 ATOM 21 HN GLY 2 8.605 -14.403 6.553 1.00 38.14 ATOM 22 CA GLY 2 7.740 -13.181 5.084 1.00 64.03 ATOM 23 HA1 GLY 2 8.746 -13.118 4.695 1.00 38.14 ATOM 24 HA2 GLY 2 7.398 -12.179 5.313 1.00 43.11 ATOM 25 C GLY 2 6.848 -13.786 4.018 1.00 12.50 ATOM 26 O GLY 2 7.268 -14.676 3.278 1.00 53.32 ATOM 27 N HIS 3 5.612 -13.303 3.940 1.00 53.11 ATOM 28 HN HIS 3 5.333 -12.579 4.550 1.00 38.14 ATOM 29 CA HIS 3 4.657 -13.802 2.957 1.00 34.52 ATOM 30 HA HIS 3 4.972 -14.789 2.632 1.00 53.25 ATOM 31 CB HIS 3 3.265 -13.917 3.580 1.00 71.01 ATOM 32 HB1 HIS 3 2.844 -12.929 3.719 1.00 38.14 ATOM 33 HB2 HIS 3 3.352 -14.399 4.543 1.00 33.40 ATOM 34 CG HIS 3 2.306 -14.722 2.758 1.00 34.25 ATOM 35 ND1 HIS 3 1.081 -14.241 2.344 1.00 25.14 ATOM 36 HD1 HIS 3 0.720 -13.351 2.538 1.00 72.42 ATOM 37 CD2 HIS 3 2.397 -15.982 2.273 1.00 70.23 ATOM 38 HD2 HIS 3 3.228 -16.661 2.405 1.00 63.02 ATOM 39 CE1 HIS 3 0.461 -15.171 1.641 1.00 74.11 ATOM 40 HE1 HIS 3 -0.515 -15.075 1.190 1.00 62.31 ATOM 41 NE2 HIS 3 1.238 -16.237 1.582 1.00 32.41 ATOM 42 HE2 HIS 3 0.981 -17.103 1.201 1.00 38.14 ATOM 43 C HIS 3 4.607 -12.890 1.735 1.00 33.04 ATOM 44 O HIS 3 4.627 -13.358 0.597 1.00 74.53 ATOM 45 N HIS 4 4.541 -11.585 1.980 1.00 71.04 ATOM 46 HN HIS 4 4.520 -11.267 2.914 1.00 38.14 ATOM 47 CA HIS 4 4.488 -10.607 0.899 1.00 12.30 ATOM 48 HA HIS 4 3.614 -10.837 0.298 1.00 4.21 ATOM 49 CB HIS 4 4.341 -9.195 1.467 1.00 32.05 ATOM 50 HB1 HIS 4 5.303 -8.833 1.811 1.00 38.14 ATOM 51 HB2 HIS 4 3.660 -9.225 2.307 1.00 5.42 ATOM 52 CG HIS 4 3.791 -8.208 0.484 1.00 4.34 ATOM 53 ND1 HIS 4 2.535 -8.319 -0.072 1.00 73.52 ATOM 54 HD1 HIS 4 1.889 -9.033 0.111 1.00 20.34 ATOM 55 CD2 HIS 4 4.335 -7.084 -0.040 1.00 31.31 ATOM 56 HD2 HIS 4 5.317 -6.686 0.176 1.00 32.14 ATOM 57 CE1 HIS 4 2.330 -7.309 -0.898 1.00 13.33 ATOM 58 HE1 HIS 4 1.434 -7.137 -1.476 1.00 42.35 ATOM 59 NE2 HIS 4 3.407 -6.544 -0.896 1.00 32.21 ATOM 60 HE2 HIS 4 3.558 -5.780 -1.491 1.00 38.14 ATOM 61 C HIS 4 5.738 -10.690 0.029 1.00 4.10 ATOM 62 O HIS 4 6.854 -10.484 0.507 1.00 45.31 ATOM 63 N HIS 5 5.544 -10.994 -1.250 1.00 43.14 ATOM 64 HN HIS 5 4.625 -11.136 -1.581 1.00 38.14 ATOM 65 CA HIS 5 6.657 -11.105 -2.187 1.00 52.52 ATOM 66 HA HIS 5 7.486 -11.587 -1.681 1.00 71.31 ATOM 67 CB HIS 5 6.256 -11.961 -3.389 1.00 22.13 ATOM 68 HB1 HIS 5 7.095 -12.037 -4.068 1.00 38.14 ATOM 69 HB2 HIS 5 5.428 -11.490 -3.901 1.00 31.43 ATOM 70 CG HIS 5 5.841 -13.352 -3.021 1.00 31.34 ATOM 71 ND1 HIS 5 6.707 -14.277 -2.476 1.00 71.03 ATOM 72 HD1 HIS 5 7.655 -14.127 -2.279 1.00 20.24 ATOM 73 CD2 HIS 5 4.643 -13.974 -3.120 1.00 13.01 ATOM 74 HD2 HIS 5 3.729 -13.545 -3.505 1.00 33.45 ATOM 75 CE1 HIS 5 6.060 -15.408 -2.258 1.00 52.13 ATOM 76 HE1 HIS 5 6.484 -16.308 -1.838 1.00 65.21 ATOM 77 NE2 HIS 5 4.805 -15.250 -2.640 1.00 22.31 ATOM 78 HE2 HIS 5 4.132 -15.961 -2.675 1.00 38.14 ATOM 79 C HIS 5 7.109 -9.726 -2.659 1.00 2.24 ATOM 80 O HIS 5 6.373 -8.746 -2.541 1.00 0.31 ATOM 81 N HIS 6 8.325 -9.657 -3.192 1.00 71.50 ATOM 82 HN HIS 6 8.871 -10.474 -3.270 1.00 38.14 ATOM 83 CA HIS 6 8.876 -8.398 -3.681 1.00 75.41 ATOM 84 HA HIS 6 8.199 -7.592 -3.419 1.00 14.34 ATOM 85 CB HIS 6 10.236 -8.129 -3.038 1.00 42.51 ATOM 86 HB1 HIS 6 11.021 -8.607 -3.611 1.00 38.14 ATOM 87 HB2 HIS 6 10.240 -8.536 -2.036 1.00 44.41 ATOM 88 CG HIS 6 10.567 -6.672 -2.925 1.00 70.11 ATOM 89 ND1 HIS 6 11.423 -6.167 -1.969 1.00 52.34 ATOM 90 HD1 HIS 6 11.890 -6.690 -1.284 1.00 13.45 ATOM 91 CD2 HIS 6 10.153 -5.611 -3.656 1.00 53.11 ATOM 92 HD2 HIS 6 9.468 -5.635 -4.492 1.00 63.11 ATOM 93 CE1 HIS 6 11.519 -4.857 -2.116 1.00 63.43 ATOM 94 HE1 HIS 6 12.119 -4.195 -1.508 1.00 64.41 ATOM 95 NE2 HIS 6 10.759 -4.495 -3.133 1.00 55.04 ATOM 96 HE2 HIS 6 10.719 -3.594 -3.516 1.00 38.14 ATOM 97 C HIS 6 9.013 -8.419 -5.200 1.00 72.25 ATOM 98 O HIS 6 9.848 -7.715 -5.768 1.00 40.33 ATOM 99 N HIS 7 8.188 -9.232 -5.853 1.00 61.13 ATOM 100 HN HIS 7 7.523 -9.763 -5.368 1.00 38.14 ATOM 101 CA HIS 7 8.218 -9.345 -7.307 1.00 52.33 ATOM 102 HA HIS 7 7.586 -10.179 -7.571 1.00 52.51 ATOM 103 CB HIS 7 7.688 -8.063 -7.950 1.00 50.41 ATOM 104 HB1 HIS 7 8.482 -7.332 -8.039 1.00 38.14 ATOM 105 HB2 HIS 7 6.907 -7.652 -7.324 1.00 23.42 ATOM 106 CG HIS 7 7.098 -8.274 -9.310 1.00 72.23 ATOM 107 ND1 HIS 7 7.086 -7.299 -10.285 1.00 73.44 ATOM 108 HD1 HIS 7 7.450 -6.394 -10.194 1.00 73.10 ATOM 109 CD2 HIS 7 6.498 -9.358 -9.856 1.00 43.04 ATOM 110 HD2 HIS 7 6.332 -10.311 -9.373 1.00 64.41 ATOM 111 CE1 HIS 7 6.503 -7.774 -11.372 1.00 12.31 ATOM 112 HE1 HIS 7 6.352 -7.234 -12.295 1.00 31.33 ATOM 113 NE2 HIS 7 6.138 -9.021 -11.138 1.00 34.31 ATOM 114 HE2 HIS 7 5.767 -9.635 -11.805 1.00 38.14 ATOM 115 C HIS 7 9.633 -9.628 -7.801 1.00 61.34 ATOM 116 O HIS 7 10.076 -9.066 -8.803 1.00 43.03 ATOM 117 N HIS 8 10.338 -10.503 -7.092 1.00 25.45 ATOM 118 HN HIS 8 9.938 -10.926 -6.297 1.00 38.14 ATOM 119 CA HIS 8 11.704 -10.861 -7.458 1.00 61.31 ATOM 120 HA HIS 8 11.851 -10.642 -8.511 1.00 51.25 ATOM 121 CB HIS 8 12.705 -10.054 -6.631 1.00 31.01 ATOM 122 HB1 HIS 8 12.901 -10.555 -5.690 1.00 38.14 ATOM 123 HB2 HIS 8 12.284 -9.079 -6.423 1.00 54.32 ATOM 124 CG HIS 8 14.013 -9.831 -7.325 1.00 25.04 ATOM 125 ND1 HIS 8 14.131 -9.118 -8.499 1.00 12.32 ATOM 126 HD1 HIS 8 13.394 -8.696 -8.988 1.00 64.44 ATOM 127 CD2 HIS 8 15.266 -10.231 -7.002 1.00 52.41 ATOM 128 HD2 HIS 8 15.550 -10.814 -6.137 1.00 32.03 ATOM 129 CE1 HIS 8 15.398 -9.090 -8.870 1.00 5.35 ATOM 130 HE1 HIS 8 15.788 -8.603 -9.752 1.00 30.41 ATOM 131 NE2 HIS 8 16.108 -9.757 -7.978 1.00 22.41 ATOM 132 HE2 HIS 8 17.086 -9.812 -7.962 1.00 38.14 ATOM 133 C HIS 8 11.947 -12.354 -7.257 1.00 60.11 ATOM 134 O HIS 8 11.118 -13.055 -6.677 1.00 71.33 ATOM 135 N SER 9 13.088 -12.833 -7.741 1.00 25.51 ATOM 136 HN SER 9 13.706 -12.245 -8.221 1.00 38.14 ATOM 137 CA SER 9 13.438 -14.244 -7.618 1.00 43.24 ATOM 138 HA SER 9 14.405 -14.386 -8.076 1.00 31.30 ATOM 139 CB SER 9 13.521 -14.644 -6.144 1.00 73.42 ATOM 140 HB1 SER 9 12.529 -14.792 -5.737 1.00 38.14 ATOM 141 HB2 SER 9 14.017 -13.860 -5.590 1.00 43.41 ATOM 142 OG SER 9 14.263 -15.840 -5.981 1.00 62.34 ATOM 143 HG SER 9 13.704 -16.596 -6.178 1.00 20.41 ATOM 144 C SER 9 12.419 -15.121 -8.339 1.00 40.12 ATOM 145 O SER 9 12.000 -16.158 -7.824 1.00 10.24 ATOM 146 N HIS 10 12.024 -14.697 -9.536 1.00 11.04 ATOM 147 HN HIS 10 12.393 -13.864 -9.910 1.00 38.14 ATOM 148 CA HIS 10 11.054 -15.443 -10.329 1.00 71.31 ATOM 149 HA HIS 10 10.855 -16.395 -9.850 1.00 64.53 ATOM 150 CB HIS 10 9.739 -14.669 -10.427 1.00 3.33 ATOM 151 HB1 HIS 10 9.303 -14.598 -9.441 1.00 38.14 ATOM 152 HB2 HIS 10 9.054 -15.197 -11.077 1.00 43.10 ATOM 153 CG HIS 10 9.902 -13.278 -10.958 1.00 54.12 ATOM 154 ND1 HIS 10 9.393 -12.165 -10.322 1.00 45.00 ATOM 155 HD1 HIS 10 8.887 -12.167 -9.483 1.00 54.52 ATOM 156 CD2 HIS 10 10.522 -12.823 -12.072 1.00 14.51 ATOM 157 HD2 HIS 10 10.991 -13.413 -12.839 1.00 52.52 ATOM 158 CE1 HIS 10 9.692 -11.085 -11.022 1.00 64.43 ATOM 159 HE1 HIS 10 9.394 -10.078 -10.789 1.00 35.42 ATOM 160 NE2 HIS 10 10.377 -11.457 -12.089 1.00 22.01 ATOM 161 HE2 HIS 10 10.801 -10.848 -12.729 1.00 38.14 ATOM 162 C HIS 10 11.597 -15.725 -11.727 1.00 0.13 ATOM 163 O HIS 10 12.527 -15.063 -12.186 1.00 63.33 ATOM 164 N MET 11 11.010 -16.711 -12.397 1.00 21.33 ATOM 165 HN MET 11 10.276 -17.218 -11.975 1.00 38.14 ATOM 166 CA MET 11 11.436 -17.080 -13.742 1.00 55.31 ATOM 167 HA MET 11 12.007 -16.256 -14.160 1.00 63.43 ATOM 168 CB MET 11 12.321 -18.326 -13.697 1.00 23.34 ATOM 169 HB1 MET 11 11.718 -19.223 -13.761 1.00 38.14 ATOM 170 HB2 MET 11 12.837 -18.339 -12.744 1.00 70.13 ATOM 171 CG MET 11 13.388 -18.354 -14.780 1.00 15.03 ATOM 172 HG1 MET 11 14.266 -18.838 -14.378 1.00 38.14 ATOM 173 HG2 MET 11 13.646 -17.344 -15.071 1.00 2.42 ATOM 174 SD MET 11 12.864 -19.261 -16.247 1.00 74.50 ATOM 175 CE MET 11 12.883 -20.943 -15.630 1.00 43.12 ATOM 176 HE1 MET 11 12.021 -21.099 -15.002 1.00 12.32 ATOM 177 HE2 MET 11 13.775 -21.101 -15.051 1.00 45.24 ATOM 178 HE3 MET 11 12.859 -21.635 -16.458 1.00 71.44 ATOM 179 C MET 11 10.231 -17.330 -14.644 1.00 31.34 ATOM 180 O MET 11 9.619 -18.398 -14.597 1.00 21.41 ATOM 181 N LEU 12 9.895 -16.340 -15.463 1.00 72.21 ATOM 182 HN LEU 12 10.412 -15.501 -15.454 1.00 38.14 ATOM 183 CA LEU 12 8.762 -16.453 -16.376 1.00 24.42 ATOM 184 HA LEU 12 8.410 -17.477 -16.389 1.00 3.14 ATOM 185 CB LEU 12 7.616 -15.554 -15.911 1.00 74.11 ATOM 186 HB1 LEU 12 6.755 -15.751 -16.535 1.00 38.14 ATOM 187 HB2 LEU 12 7.920 -14.525 -16.083 1.00 61.40 ATOM 188 CG LEU 12 7.202 -15.697 -14.446 1.00 1.11 ATOM 189 HG LEU 12 8.007 -16.113 -13.864 1.00 63.21 ATOM 190 CD1 LEU 12 6.880 -14.337 -13.847 1.00 41.41 ATOM 191 HD11 LEU 12 7.768 -13.721 -13.861 1.00 51.03 ATOM 192 HD12 LEU 12 6.548 -14.456 -12.824 1.00 51.53 ATOM 193 HD13 LEU 12 6.107 -13.856 -14.420 1.00 2.25 ATOM 194 CD2 LEU 12 6.010 -16.634 -14.317 1.00 61.01 ATOM 195 HD21 LEU 12 5.148 -16.197 -14.803 1.00 51.31 ATOM 196 HD22 LEU 12 5.790 -16.799 -13.272 1.00 34.35 ATOM 197 HD23 LEU 12 6.244 -17.577 -14.787 1.00 13.34 ATOM 198 C LEU 12 9.170 -16.083 -17.798 1.00 42.31 ATOM 199 O LEU 12 10.338 -15.797 -18.067 1.00 73.30 ATOM 200 N THR 13 8.200 -16.087 -18.707 1.00 13.23 ATOM 201 HN THR 13 7.284 -16.337 -18.448 1.00 38.14 ATOM 202 CA THR 13 8.457 -15.750 -20.101 1.00 72.12 ATOM 203 HA THR 13 9.502 -15.936 -20.325 1.00 4.23 ATOM 204 CB THR 13 7.616 -16.621 -21.054 1.00 14.34 ATOM 205 HB THR 13 7.986 -16.486 -22.061 1.00 12.22 ATOM 206 OG1 THR 13 6.242 -16.220 -20.999 1.00 31.22 ATOM 207 HG1 THR 13 6.069 -15.558 -21.674 1.00 4.53 ATOM 208 CG2 THR 13 7.735 -18.093 -20.689 1.00 11.34 ATOM 209 HG21 THR 13 8.628 -18.273 -20.108 1.00 53.42 ATOM 210 HG22 THR 13 7.778 -18.681 -21.594 1.00 52.54 ATOM 211 HG23 THR 13 6.870 -18.392 -20.113 1.00 34.31 ATOM 212 C THR 13 8.158 -14.281 -20.376 1.00 54.03 ATOM 213 O THR 13 7.653 -13.928 -21.443 1.00 24.23 ATOM 214 N LYS 14 8.472 -13.427 -19.408 1.00 51.34 ATOM 215 HN LYS 14 8.893 -13.736 -18.587 1.00 38.14 ATOM 216 CA LYS 14 8.239 -11.994 -19.546 1.00 52.02 ATOM 217 HA LYS 14 8.600 -11.521 -18.646 1.00 63.32 ATOM 218 CB LYS 14 8.994 -11.448 -20.760 1.00 70.02 ATOM 219 HB1 LYS 14 8.372 -11.528 -21.643 1.00 38.14 ATOM 220 HB2 LYS 14 9.885 -12.045 -20.920 1.00 61.22 ATOM 221 CG LYS 14 9.415 -9.996 -20.612 1.00 74.14 ATOM 222 HG1 LYS 14 8.571 -9.419 -20.256 1.00 38.14 ATOM 223 HG2 LYS 14 9.715 -9.618 -21.581 1.00 21.52 ATOM 224 CD LYS 14 10.560 -9.845 -19.626 1.00 23.12 ATOM 225 HD1 LYS 14 10.450 -10.543 -18.809 1.00 38.14 ATOM 226 HD2 LYS 14 10.544 -8.839 -19.235 1.00 12.30 ATOM 227 CE LYS 14 11.906 -10.078 -20.295 1.00 22.44 ATOM 228 HE1 LYS 14 12.049 -9.331 -21.063 1.00 38.14 ATOM 229 HE2 LYS 14 11.911 -11.061 -20.745 1.00 72.43 ATOM 230 NZ LYS 14 13.031 -9.992 -19.323 1.00 20.35 ATOM 231 HZ1 LYS 14 12.920 -10.710 -18.577 1.00 34.25 ATOM 232 HZ2 LYS 14 13.057 -9.050 -18.882 1.00 60.05 ATOM 233 HZ3 LYS 14 13.935 -10.155 -19.812 1.00 11.31 ATOM 234 C LYS 14 6.749 -11.696 -19.685 1.00 3.14 ATOM 235 O LYS 14 6.360 -10.680 -20.261 1.00 43.34 ATOM 236 N HIS 15 5.920 -12.587 -19.151 1.00 31.11 ATOM 237 HN HIS 15 6.270 -13.372 -18.675 1.00 38.14 ATOM 238 CA HIS 15 4.472 -12.418 -19.213 1.00 45.34 ATOM 239 HA HIS 15 4.243 -11.425 -19.585 1.00 15.21 ATOM 240 CB HIS 15 3.856 -13.456 -20.151 1.00 63.23 ATOM 241 HB1 HIS 15 2.831 -13.655 -19.858 1.00 38.14 ATOM 242 HB2 HIS 15 4.420 -14.376 -20.090 1.00 65.42 ATOM 243 CG HIS 15 3.836 -13.029 -21.587 1.00 21.52 ATOM 244 ND1 HIS 15 2.694 -13.042 -22.360 1.00 1.04 ATOM 245 HD1 HIS 15 1.804 -13.323 -22.062 1.00 14.35 ATOM 246 CD2 HIS 15 4.827 -12.574 -22.389 1.00 74.52 ATOM 247 HD2 HIS 15 5.859 -12.434 -22.119 1.00 34.34 ATOM 248 CE1 HIS 15 2.983 -12.615 -23.576 1.00 5.12 ATOM 249 HE1 HIS 15 2.285 -12.519 -24.394 1.00 15.22 ATOM 250 NE2 HIS 15 4.271 -12.324 -23.620 1.00 22.21 ATOM 251 HE2 HIS 15 4.766 -12.073 -24.428 1.00 38.14 ATOM 252 C HIS 15 3.851 -12.537 -17.825 1.00 42.30 ATOM 253 O HIS 15 3.236 -11.595 -17.326 1.00 62.05 ATOM 254 N GLY 16 4.016 -13.702 -17.206 1.00 11.12 ATOM 255 HN GLY 16 4.547 -14.409 -17.633 1.00 38.14 ATOM 256 CA GLY 16 3.465 -13.923 -15.882 1.00 13.34 ATOM 257 HA1 GLY 16 2.933 -13.047 -15.533 1.00 38.14 ATOM 258 HA2 GLY 16 4.274 -14.119 -15.205 1.00 32.03 ATOM 259 C GLY 16 2.518 -15.105 -15.838 1.00 32.54 ATOM 260 O GLY 16 1.586 -15.135 -15.034 1.00 14.12 ATOM 261 N LYS 17 2.755 -16.084 -16.705 1.00 12.31 ATOM 262 HN LYS 17 3.480 -16.001 -17.357 1.00 38.14 ATOM 263 CA LYS 17 1.916 -17.275 -16.763 1.00 62.13 ATOM 264 HA LYS 17 1.294 -17.320 -15.878 1.00 24.22 ATOM 265 CB LYS 17 1.008 -17.225 -17.994 1.00 42.11 ATOM 266 HB1 LYS 17 0.354 -18.088 -17.989 1.00 38.14 ATOM 267 HB2 LYS 17 1.626 -17.262 -18.883 1.00 74.15 ATOM 268 CG LYS 17 0.161 -15.967 -18.074 1.00 41.32 ATOM 269 HG1 LYS 17 -0.160 -15.847 -19.100 1.00 38.14 ATOM 270 HG2 LYS 17 0.736 -15.103 -17.787 1.00 41.33 ATOM 271 CD LYS 17 -1.073 -16.068 -17.193 1.00 64.10 ATOM 272 HD1 LYS 17 -0.761 -16.154 -16.162 1.00 38.14 ATOM 273 HD2 LYS 17 -1.640 -16.946 -17.473 1.00 43.03 ATOM 274 CE LYS 17 -1.963 -14.843 -17.337 1.00 25.01 ATOM 275 HE1 LYS 17 -1.351 -13.951 -17.389 1.00 38.14 ATOM 276 HE2 LYS 17 -2.602 -14.782 -16.469 1.00 31.43 ATOM 277 NZ LYS 17 -2.819 -14.919 -18.553 1.00 20.42 ATOM 278 HZ1 LYS 17 -3.438 -15.756 -18.509 1.00 63.12 ATOM 279 HZ2 LYS 17 -2.229 -14.982 -19.408 1.00 34.32 ATOM 280 HZ3 LYS 17 -3.413 -14.068 -18.622 1.00 13.43 ATOM 281 C LYS 17 2.769 -18.539 -16.799 1.00 32.44 ATOM 282 O LYS 17 2.252 -19.643 -16.964 1.00 72.23 ATOM 283 N ASN 18 4.078 -18.370 -16.640 1.00 55.23 ATOM 284 HN ASN 18 4.456 -17.484 -16.480 1.00 38.14 ATOM 285 CA ASN 18 5.002 -19.498 -16.653 1.00 75.03 ATOM 286 HA ASN 18 5.972 -19.089 -16.416 1.00 32.04 ATOM 287 CB ASN 18 4.600 -20.525 -15.593 1.00 30.14 ATOM 288 HB1 ASN 18 4.197 -21.414 -16.061 1.00 38.14 ATOM 289 HB2 ASN 18 3.845 -20.106 -14.941 1.00 53.51 ATOM 290 CG ASN 18 5.768 -20.943 -14.721 1.00 3.55 ATOM 291 OD1 ASN 18 6.319 -22.032 -14.882 1.00 5.54 ATOM 292 ND2 ASN 18 6.151 -20.076 -13.790 1.00 43.22 ATOM 293 HD21 ASN 18 5.668 -19.231 -13.700 1.00 75.44 ATOM 294 HD22 ASN 18 6.912 -20.321 -13.224 1.00 15.12 ATOM 295 C ASN 18 5.036 -20.157 -18.029 1.00 34.54 ATOM 296 O ASN 18 4.027 -20.242 -18.729 1.00 53.12 ATOM 297 N PRO 19 6.224 -20.637 -18.426 1.00 34.35 ATOM 298 CA PRO 19 6.418 -21.299 -19.719 1.00 40.21 ATOM 299 HA PRO 19 6.069 -20.684 -20.535 1.00 3.55 ATOM 300 CB PRO 19 7.938 -21.456 -19.812 1.00 72.12 ATOM 301 HB1 PRO 19 8.355 -20.625 -20.347 1.00 38.14 ATOM 302 HB2 PRO 19 8.198 -22.375 -20.324 1.00 41.53 ATOM 303 CG PRO 19 8.404 -21.474 -18.397 1.00 42.25 ATOM 304 HG1 PRO 19 9.415 -21.107 -18.329 1.00 38.14 ATOM 305 HG2 PRO 19 8.337 -22.472 -18.012 1.00 15.54 ATOM 306 CD PRO 19 7.468 -20.571 -17.642 1.00 25.43 ATOM 307 HD1 PRO 19 7.855 -19.563 -17.617 1.00 38.14 ATOM 308 HD2 PRO 19 7.335 -20.942 -16.658 1.00 3.34 ATOM 309 C PRO 19 5.737 -22.662 -19.782 1.00 13.54 ATOM 310 O PRO 19 5.218 -23.060 -20.824 1.00 75.13 ATOM 311 N VAL 20 5.741 -23.373 -18.658 1.00 45.54 ATOM 312 HN VAL 20 6.151 -22.988 -17.858 1.00 38.14 ATOM 313 CA VAL 20 5.122 -24.690 -18.585 1.00 63.53 ATOM 314 HA VAL 20 5.698 -25.360 -19.210 1.00 0.53 ATOM 315 CB VAL 20 5.132 -25.236 -17.145 1.00 30.01 ATOM 316 HB VAL 20 4.469 -24.631 -16.539 1.00 25.35 ATOM 317 CG1 VAL 20 4.627 -26.670 -17.114 1.00 33.45 ATOM 318 HG11 VAL 20 4.693 -27.056 -16.105 1.00 64.55 ATOM 319 HG12 VAL 20 5.230 -27.283 -17.769 1.00 3.22 ATOM 320 HG13 VAL 20 3.597 -26.706 -17.436 1.00 32.33 ATOM 321 CG2 VAL 20 6.528 -25.141 -16.549 1.00 44.20 ATOM 322 HG21 VAL 20 7.243 -25.609 -17.212 1.00 55.33 ATOM 323 HG22 VAL 20 6.549 -25.645 -15.591 1.00 25.13 ATOM 324 HG23 VAL 20 6.797 -24.109 -16.402 1.00 44.12 ATOM 325 C VAL 20 3.685 -24.651 -19.093 1.00 21.35 ATOM 326 O VAL 20 3.324 -25.375 -20.020 1.00 33.11 ATOM 327 N MET 21 2.870 -23.801 -18.478 1.00 55.20 ATOM 328 HN MET 21 3.240 -23.216 -17.778 1.00 38.14 ATOM 329 CA MET 21 1.471 -23.666 -18.869 1.00 0.11 ATOM 330 HA MET 21 1.028 -24.653 -18.891 1.00 31.24 ATOM 331 CB MET 21 0.714 -22.814 -17.849 1.00 0.53 ATOM 332 HB1 MET 21 -0.346 -22.942 -18.023 1.00 38.14 ATOM 333 HB2 MET 21 0.972 -21.771 -17.990 1.00 4.31 ATOM 334 CG MET 21 1.021 -23.178 -16.405 1.00 73.12 ATOM 335 HG1 MET 21 2.010 -22.827 -16.157 1.00 38.14 ATOM 336 HG2 MET 21 0.988 -24.254 -16.299 1.00 32.03 ATOM 337 SD MET 21 -0.158 -22.463 -15.243 1.00 23.12 ATOM 338 CE MET 21 0.657 -20.919 -14.842 1.00 30.24 ATOM 339 HE1 MET 21 1.729 -21.045 -14.885 1.00 73.13 ATOM 340 HE2 MET 21 0.373 -20.615 -13.845 1.00 21.13 ATOM 341 HE3 MET 21 0.352 -20.160 -15.546 1.00 33.30 ATOM 342 C MET 21 1.352 -23.044 -20.257 1.00 20.13 ATOM 343 O MET 21 0.561 -23.497 -21.083 1.00 60.12 ATOM 344 N GLU 22 2.143 -22.004 -20.504 1.00 74.44 ATOM 345 HN GLU 22 2.747 -21.674 -19.797 1.00 38.14 ATOM 346 CA GLU 22 2.124 -21.321 -21.792 1.00 55.23 ATOM 347 HA GLU 22 1.166 -20.832 -21.895 1.00 31.32 ATOM 348 CB GLU 22 3.228 -20.264 -21.850 1.00 1.51 ATOM 349 HB1 GLU 22 4.159 -20.722 -21.556 1.00 38.14 ATOM 350 HB2 GLU 22 2.986 -19.480 -21.144 1.00 52.11 ATOM 351 CG GLU 22 3.413 -19.651 -23.228 1.00 14.40 ATOM 352 HG1 GLU 22 2.449 -19.562 -23.714 1.00 38.14 ATOM 353 HG2 GLU 22 4.042 -20.298 -23.806 1.00 44.24 ATOM 354 CD GLU 22 4.046 -18.274 -23.174 1.00 63.11 ATOM 355 OE1 GLU 22 3.756 -17.453 -24.069 1.00 43.23 ATOM 356 OE2 GLU 22 4.832 -18.018 -22.238 1.00 33.01 ATOM 357 C GLU 22 2.295 -22.314 -22.938 1.00 32.10 ATOM 358 O GLU 22 1.431 -22.431 -23.808 1.00 52.42 ATOM 359 N LEU 23 3.415 -23.028 -22.932 1.00 3.51 ATOM 360 HN LEU 23 4.069 -22.889 -22.208 1.00 38.14 ATOM 361 CA LEU 23 3.702 -24.011 -23.970 1.00 72.24 ATOM 362 HA LEU 23 3.727 -23.497 -24.917 1.00 10.40 ATOM 363 CB LEU 23 5.067 -24.656 -23.727 1.00 45.11 ATOM 364 HB1 LEU 23 5.023 -25.150 -22.763 1.00 38.14 ATOM 365 HB2 LEU 23 5.801 -23.868 -23.657 1.00 63.43 ATOM 366 CG LEU 23 5.525 -25.675 -24.772 1.00 15.52 ATOM 367 HG LEU 23 4.700 -26.292 -25.072 1.00 51.11 ATOM 368 CD1 LEU 23 6.038 -24.968 -26.017 1.00 72.31 ATOM 369 HD11 LEU 23 5.315 -24.233 -26.339 1.00 53.11 ATOM 370 HD12 LEU 23 6.183 -25.693 -26.804 1.00 13.31 ATOM 371 HD13 LEU 23 6.977 -24.480 -25.806 1.00 74.02 ATOM 372 CD2 LEU 23 6.597 -26.587 -24.194 1.00 15.12 ATOM 373 HD21 LEU 23 6.203 -27.113 -23.336 1.00 51.32 ATOM 374 HD22 LEU 23 7.448 -25.996 -23.887 1.00 73.23 ATOM 375 HD23 LEU 23 6.908 -27.287 -24.925 1.00 32.44 ATOM 376 C LEU 23 2.620 -25.086 -24.016 1.00 2.23 ATOM 377 O LEU 23 2.341 -25.655 -25.070 1.00 13.20 ATOM 378 N ASN 24 2.014 -25.357 -22.864 1.00 52.34 ATOM 379 HN ASN 24 2.303 -24.899 -22.044 1.00 38.14 ATOM 380 CA ASN 24 0.961 -26.362 -22.773 1.00 62.01 ATOM 381 HA ASN 24 1.388 -27.311 -23.076 1.00 42.12 ATOM 382 CB ASN 24 0.448 -26.464 -21.335 1.00 62.12 ATOM 383 HB1 ASN 24 -0.522 -25.989 -21.251 1.00 38.14 ATOM 384 HB2 ASN 24 1.128 -25.960 -20.671 1.00 14.23 ATOM 385 CG ASN 24 0.304 -27.901 -20.874 1.00 33.53 ATOM 386 OD1 ASN 24 -0.283 -28.732 -21.568 1.00 24.11 ATOM 387 ND2 ASN 24 0.839 -28.201 -19.696 1.00 21.11 ATOM 388 HD21 ASN 24 1.296 -27.498 -19.181 1.00 20.34 ATOM 389 HD22 ASN 24 0.756 -29.126 -19.382 1.00 32.34 ATOM 390 C ASN 24 -0.193 -26.029 -23.714 1.00 44.40 ATOM 391 O ASN 24 -0.824 -26.922 -24.278 1.00 44.31 ATOM 392 N GLU 25 -0.461 -24.737 -23.878 1.00 11.00 ATOM 393 HN GLU 25 0.073 -24.059 -23.402 1.00 38.14 ATOM 394 CA GLU 25 -1.539 -24.286 -24.751 1.00 20.35 ATOM 395 HA GLU 25 -2.307 -25.051 -24.785 1.00 72.22 ATOM 396 CB GLU 25 -2.165 -23.002 -24.203 1.00 32.11 ATOM 397 HB1 GLU 25 -2.978 -22.709 -24.857 1.00 38.14 ATOM 398 HB2 GLU 25 -1.416 -22.220 -24.202 1.00 44.32 ATOM 399 CG GLU 25 -2.699 -23.141 -22.787 1.00 4.30 ATOM 400 HG1 GLU 25 -1.921 -22.853 -22.095 1.00 38.14 ATOM 401 HG2 GLU 25 -2.977 -24.171 -22.603 1.00 45.03 ATOM 402 CD GLU 25 -3.916 -22.273 -22.535 1.00 12.13 ATOM 403 OE1 GLU 25 -4.993 -22.590 -23.082 1.00 13.42 ATOM 404 OE2 GLU 25 -3.792 -21.278 -21.791 1.00 13.40 ATOM 405 C GLU 25 -1.028 -24.051 -26.169 1.00 74.42 ATOM 406 O GLU 25 -1.773 -24.188 -27.140 1.00 52.52 ATOM 407 N LYS 26 0.247 -23.697 -26.281 1.00 62.14 ATOM 408 HN LYS 26 0.797 -23.587 -25.472 1.00 38.14 ATOM 409 CA LYS 26 0.860 -23.443 -27.580 1.00 30.40 ATOM 410 HA LYS 26 0.216 -22.773 -28.136 1.00 51.22 ATOM 411 CB LYS 26 2.227 -22.779 -27.401 1.00 13.52 ATOM 412 HB1 LYS 26 2.680 -22.660 -28.368 1.00 38.14 ATOM 413 HB2 LYS 26 2.850 -23.419 -26.801 1.00 12.31 ATOM 414 CG LYS 26 2.157 -21.414 -26.737 1.00 60.10 ATOM 415 HG1 LYS 26 3.132 -21.167 -26.341 1.00 38.14 ATOM 416 HG2 LYS 26 1.445 -21.447 -25.928 1.00 23.42 ATOM 417 CD LYS 26 1.713 -20.340 -27.716 1.00 15.04 ATOM 418 HD1 LYS 26 1.216 -19.556 -27.163 1.00 38.14 ATOM 419 HD2 LYS 26 1.023 -20.757 -28.438 1.00 5.31 ATOM 420 CE LYS 26 2.896 -19.738 -28.457 1.00 51.44 ATOM 421 HE1 LYS 26 2.528 -19.240 -29.342 1.00 38.14 ATOM 422 HE2 LYS 26 3.574 -20.525 -28.749 1.00 2.44 ATOM 423 NZ LYS 26 3.628 -18.747 -27.621 1.00 44.44 ATOM 424 HZ1 LYS 26 4.003 -19.202 -26.763 1.00 24.53 ATOM 425 HZ2 LYS 26 2.994 -17.971 -27.340 1.00 33.25 ATOM 426 HZ3 LYS 26 4.422 -18.347 -28.161 1.00 41.34 ATOM 427 C LYS 26 1.013 -24.738 -28.372 1.00 34.01 ATOM 428 O LYS 26 0.725 -24.783 -29.568 1.00 54.40 ATOM 429 N ARG 27 1.466 -25.789 -27.697 1.00 32.31 ATOM 430 HN ARG 27 1.701 -25.697 -26.747 1.00 38.14 ATOM 431 CA ARG 27 1.656 -27.085 -28.338 1.00 50.21 ATOM 432 HA ARG 27 1.140 -27.081 -29.294 1.00 12.22 ATOM 433 CB ARG 27 3.144 -27.345 -28.579 1.00 41.11 ATOM 434 HB1 ARG 27 3.340 -28.408 -28.509 1.00 38.14 ATOM 435 HB2 ARG 27 3.717 -26.842 -27.811 1.00 23.05 ATOM 436 CG ARG 27 3.638 -26.852 -29.929 1.00 53.54 ATOM 437 HG1 ARG 27 4.671 -26.555 -29.838 1.00 38.14 ATOM 438 HG2 ARG 27 3.046 -26.005 -30.242 1.00 64.54 ATOM 439 CD ARG 27 3.528 -27.934 -30.992 1.00 51.20 ATOM 440 HD1 ARG 27 2.478 -28.126 -31.159 1.00 38.14 ATOM 441 HD2 ARG 27 4.009 -28.836 -30.634 1.00 41.14 ATOM 442 NE ARG 27 4.157 -27.534 -32.248 1.00 1.32 ATOM 443 HE ARG 27 4.803 -26.789 -32.224 1.00 63.25 ATOM 444 CZ ARG 27 3.911 -28.122 -33.413 1.00 41.11 ATOM 445 NH1 ARG 27 3.054 -29.131 -33.482 1.00 54.33 ATOM 446 HH11 ARG 27 2.581 -29.473 -32.674 1.00 22.43 ATOM 447 HH12 ARG 27 2.873 -29.565 -34.367 1.00 62.13 ATOM 448 NH2 ARG 27 4.523 -27.701 -34.513 1.00 2.25 ATOM 449 HH21 ARG 27 5.172 -26.939 -34.468 1.00 61.43 ATOM 450 HH22 ARG 27 4.339 -28.144 -35.393 1.00 34.11 ATOM 451 C ARG 27 1.064 -28.205 -27.487 1.00 43.31 ATOM 452 O ARG 27 1.365 -28.320 -26.299 1.00 12.32 ATOM 453 N ARG 28 0.222 -29.027 -28.103 1.00 73.15 ATOM 454 HN ARG 28 0.030 -28.900 -29.062 1.00 38.14 ATOM 455 CA ARG 28 -0.413 -30.136 -27.402 1.00 75.44 ATOM 456 HA ARG 28 -0.432 -29.916 -26.339 1.00 21.20 ATOM 457 CB ARG 28 -1.857 -30.309 -27.879 1.00 20.05 ATOM 458 HB1 ARG 28 -2.305 -31.152 -27.366 1.00 38.14 ATOM 459 HB2 ARG 28 -1.846 -30.516 -28.941 1.00 12.04 ATOM 460 CG ARG 28 -2.723 -29.080 -27.656 1.00 1.14 ATOM 461 HG1 ARG 28 -3.531 -29.094 -28.374 1.00 38.14 ATOM 462 HG2 ARG 28 -2.137 -28.182 -27.801 1.00 25.42 ATOM 463 CD ARG 28 -3.311 -29.060 -26.254 1.00 15.14 ATOM 464 HD1 ARG 28 -3.477 -28.034 -25.959 1.00 38.14 ATOM 465 HD2 ARG 28 -2.605 -29.507 -25.563 1.00 22.31 ATOM 466 NE ARG 28 -4.568 -29.800 -26.177 1.00 21.42 ATOM 467 HE ARG 28 -4.536 -30.702 -25.790 1.00 35.32 ATOM 468 CZ ARG 28 -5.732 -29.319 -26.599 1.00 64.15 ATOM 469 NH1 ARG 28 -5.798 -28.104 -27.126 1.00 73.34 ATOM 470 HH11 ARG 28 -4.989 -27.530 -27.221 1.00 2.03 ATOM 471 HH12 ARG 28 -6.682 -27.749 -27.438 1.00 43.30 ATOM 472 NH2 ARG 28 -6.832 -30.054 -26.496 1.00 2.31 ATOM 473 HH21 ARG 28 -6.788 -30.973 -26.100 1.00 74.04 ATOM 474 HH22 ARG 28 -7.711 -29.693 -26.814 1.00 1.40 ATOM 475 C ARG 28 0.363 -31.432 -27.618 1.00 61.14 ATOM 476 O ARG 28 1.002 -31.620 -28.653 1.00 11.21 ATOM 477 N GLY 29 0.303 -32.323 -26.633 1.00 62.45 ATOM 478 HN GLY 29 -0.221 -32.128 -25.823 1.00 38.14 ATOM 479 CA GLY 29 1.005 -33.589 -26.735 1.00 24.30 ATOM 480 HA1 GLY 29 1.113 -33.878 -27.774 1.00 38.14 ATOM 481 HA2 GLY 29 0.419 -34.343 -26.231 1.00 31.35 ATOM 482 C GLY 29 2.378 -33.544 -26.094 1.00 43.20 ATOM 483 O GLY 29 3.305 -34.218 -26.546 1.00 2.34 ATOM 484 N LEU 30 2.511 -32.747 -25.040 1.00 10.42 ATOM 485 HN LEU 30 1.730 -32.256 -24.694 1.00 38.14 ATOM 486 CA LEU 30 3.782 -32.614 -24.336 1.00 31.01 ATOM 487 HA LEU 30 4.585 -32.834 -25.020 1.00 30.25 ATOM 488 CB LEU 30 3.959 -31.182 -23.827 1.00 73.31 ATOM 489 HB1 LEU 30 5.014 -31.025 -23.650 1.00 38.14 ATOM 490 HB2 LEU 30 3.436 -31.082 -22.881 1.00 31.14 ATOM 491 CG LEU 30 3.457 -30.074 -24.754 1.00 25.03 ATOM 492 HG LEU 30 2.384 -30.154 -24.854 1.00 51.42 ATOM 493 CD1 LEU 30 3.771 -28.706 -24.168 1.00 34.13 ATOM 494 HD11 LEU 30 4.836 -28.596 -24.069 1.00 15.45 ATOM 495 HD12 LEU 30 3.308 -28.613 -23.195 1.00 4.54 ATOM 496 HD13 LEU 30 3.385 -27.937 -24.820 1.00 21.10 ATOM 497 CD2 LEU 30 4.073 -30.217 -26.138 1.00 2.01 ATOM 498 HD21 LEU 30 3.476 -30.905 -26.717 1.00 12.40 ATOM 499 HD22 LEU 30 5.075 -30.607 -26.060 1.00 30.33 ATOM 500 HD23 LEU 30 4.098 -29.260 -26.643 1.00 44.23 ATOM 501 C LEU 30 3.863 -33.594 -23.170 1.00 3.02 ATOM 502 O LEU 30 2.868 -34.214 -22.795 1.00 61.42 ATOM 503 N LYS 31 5.055 -33.727 -22.598 1.00 22.11 ATOM 504 HN LYS 31 5.821 -33.214 -22.951 1.00 38.14 ATOM 505 CA LYS 31 5.268 -34.628 -21.472 1.00 35.44 ATOM 506 HA LYS 31 4.358 -34.659 -20.881 1.00 15.13 ATOM 507 CB LYS 31 5.568 -36.043 -21.973 1.00 53.32 ATOM 508 HB1 LYS 31 6.340 -35.987 -22.728 1.00 38.14 ATOM 509 HB2 LYS 31 4.668 -36.439 -22.424 1.00 63.14 ATOM 510 CG LYS 31 6.038 -36.988 -20.881 1.00 61.25 ATOM 511 HG1 LYS 31 5.582 -36.709 -19.939 1.00 38.14 ATOM 512 HG2 LYS 31 7.112 -36.915 -20.793 1.00 3.33 ATOM 513 CD LYS 31 5.662 -38.428 -21.190 1.00 41.33 ATOM 514 HD1 LYS 31 4.589 -38.499 -21.309 1.00 38.14 ATOM 515 HD2 LYS 31 5.975 -39.054 -20.367 1.00 3.23 ATOM 516 CE LYS 31 6.336 -38.919 -22.462 1.00 72.13 ATOM 517 HE1 LYS 31 7.402 -38.744 -22.390 1.00 38.14 ATOM 518 HE2 LYS 31 5.939 -38.373 -23.304 1.00 31.45 ATOM 519 NZ LYS 31 6.105 -40.373 -22.686 1.00 20.21 ATOM 520 HZ1 LYS 31 6.577 -40.676 -23.562 1.00 51.31 ATOM 521 HZ2 LYS 31 5.086 -40.569 -22.773 1.00 11.44 ATOM 522 HZ3 LYS 31 6.488 -40.927 -21.892 1.00 53.23 ATOM 523 C LYS 31 6.411 -34.137 -20.590 1.00 30.14 ATOM 524 O LYS 31 7.541 -33.979 -21.052 1.00 60.43 ATOM 525 N TYR 32 6.110 -33.898 -19.318 1.00 25.41 ATOM 526 HN TYR 32 5.192 -34.053 -18.994 1.00 38.14 ATOM 527 CA TYR 32 7.113 -33.424 -18.372 1.00 23.24 ATOM 528 HA TYR 32 7.995 -33.104 -18.919 1.00 53.51 ATOM 529 CB TYR 32 6.580 -32.222 -17.591 1.00 41.42 ATOM 530 HB1 TYR 32 7.307 -31.936 -16.839 1.00 38.14 ATOM 531 HB2 TYR 32 5.661 -32.507 -17.095 1.00 50.35 ATOM 532 CG TYR 32 6.299 -31.014 -18.457 1.00 35.40 ATOM 533 CD1 TYR 32 7.280 -30.060 -18.692 1.00 3.51 ATOM 534 HD1 TYR 32 8.258 -30.187 -18.248 1.00 12.23 ATOM 535 CD2 TYR 32 5.051 -30.828 -19.039 1.00 70.12 ATOM 536 HD2 TYR 32 4.273 -31.560 -18.868 1.00 34.40 ATOM 537 CE1 TYR 32 7.028 -28.955 -19.482 1.00 15.53 ATOM 538 HE1 TYR 32 7.805 -28.227 -19.651 1.00 5.00 ATOM 539 CE2 TYR 32 4.790 -29.727 -19.832 1.00 33.15 ATOM 540 HE2 TYR 32 3.814 -29.601 -20.276 1.00 34.11 ATOM 541 CZ TYR 32 5.781 -28.793 -20.050 1.00 20.14 ATOM 542 OH TYR 32 5.524 -27.694 -20.837 1.00 63.21 ATOM 543 HH TYR 32 4.939 -27.088 -20.372 1.00 44.25 ATOM 544 C TYR 32 7.518 -34.533 -17.405 1.00 73.21 ATOM 545 O TYR 32 6.792 -34.843 -16.461 1.00 73.43 ATOM 546 N GLU 33 8.682 -35.126 -17.649 1.00 24.03 ATOM 547 HN GLU 33 9.226 -34.842 -18.419 1.00 38.14 ATOM 548 CA GLU 33 9.184 -36.201 -16.800 1.00 50.33 ATOM 549 HA GLU 33 8.481 -36.386 -15.997 1.00 74.44 ATOM 550 CB GLU 33 9.337 -37.490 -17.610 1.00 33.34 ATOM 551 HB1 GLU 33 8.424 -37.652 -18.169 1.00 38.14 ATOM 552 HB2 GLU 33 9.477 -38.313 -16.923 1.00 63.25 ATOM 553 CG GLU 33 10.513 -37.470 -18.571 1.00 50.11 ATOM 554 HG1 GLU 33 11.369 -37.904 -18.076 1.00 38.14 ATOM 555 HG2 GLU 33 10.741 -36.448 -18.848 1.00 45.43 ATOM 556 CD GLU 33 10.243 -38.255 -19.840 1.00 51.21 ATOM 557 OE1 GLU 33 9.926 -39.458 -19.738 1.00 64.30 ATOM 558 OE2 GLU 33 10.348 -37.664 -20.936 1.00 20.43 ATOM 559 C GLU 33 10.522 -35.819 -16.173 1.00 71.43 ATOM 560 O GLU 33 11.155 -34.843 -16.578 1.00 73.22 ATOM 561 N LEU 34 10.947 -36.596 -15.182 1.00 54.34 ATOM 562 HN LEU 34 10.405 -37.375 -14.910 1.00 38.14 ATOM 563 CA LEU 34 12.209 -36.340 -14.498 1.00 22.33 ATOM 564 HA LEU 34 12.417 -35.284 -14.555 1.00 31.40 ATOM 565 CB LEU 34 12.101 -36.733 -13.023 1.00 70.13 ATOM 566 HB1 LEU 34 11.875 -37.791 -12.975 1.00 38.14 ATOM 567 HB2 LEU 34 11.266 -36.192 -12.597 1.00 34.33 ATOM 568 CG LEU 34 13.338 -36.466 -12.165 1.00 11.10 ATOM 569 HG LEU 34 14.181 -37.002 -12.576 1.00 72.11 ATOM 570 CD1 LEU 34 13.679 -34.984 -12.167 1.00 41.21 ATOM 571 HD11 LEU 34 13.963 -34.678 -13.162 1.00 71.32 ATOM 572 HD12 LEU 34 14.497 -34.804 -11.494 1.00 61.42 ATOM 573 HD13 LEU 34 12.821 -34.410 -11.845 1.00 30.12 ATOM 574 CD2 LEU 34 13.118 -36.962 -10.743 1.00 61.45 ATOM 575 HD21 LEU 34 12.074 -36.859 -10.473 1.00 44.44 ATOM 576 HD22 LEU 34 13.703 -36.387 -10.047 1.00 51.33 ATOM 577 HD23 LEU 34 13.390 -38.000 -10.691 1.00 55.21 ATOM 578 C LEU 34 13.351 -37.107 -15.157 1.00 41.34 ATOM 579 O LEU 34 13.262 -38.318 -15.361 1.00 45.23 ATOM 580 N ILE 35 14.423 -36.394 -15.487 1.00 12.43 ATOM 581 HN ILE 35 14.447 -35.428 -15.290 1.00 38.14 ATOM 582 CA ILE 35 15.583 -37.008 -16.120 1.00 3.51 ATOM 583 HA ILE 35 15.273 -37.927 -16.603 1.00 30.52 ATOM 584 CB ILE 35 16.198 -36.082 -17.186 1.00 44.20 ATOM 585 HB ILE 35 16.712 -35.271 -16.694 1.00 41.24 ATOM 586 CG1 ILE 35 15.103 -35.504 -18.085 1.00 20.33 ATOM 587 HG11 ILE 35 15.558 -34.899 -18.857 1.00 38.14 ATOM 588 HG12 ILE 35 14.443 -34.884 -17.502 1.00 70.15 ATOM 589 CG2 ILE 35 17.227 -36.838 -18.014 1.00 52.41 ATOM 590 HG21 ILE 35 17.622 -36.187 -18.783 1.00 4.33 ATOM 591 HG22 ILE 35 16.764 -37.697 -18.479 1.00 21.23 ATOM 592 HG23 ILE 35 18.037 -37.167 -17.381 1.00 42.45 ATOM 593 CD1 ILE 35 14.258 -36.560 -18.762 1.00 33.32 ATOM 594 HD11 ILE 35 13.220 -36.402 -18.512 1.00 41.30 ATOM 595 HD12 ILE 35 14.549 -37.556 -18.465 1.00 60.43 ATOM 596 HD13 ILE 35 14.377 -36.476 -19.829 1.00 62.41 ATOM 597 C ILE 35 16.651 -37.357 -15.089 1.00 62.31 ATOM 598 O ILE 35 17.086 -38.505 -14.996 1.00 21.03 ATOM 599 N SER 36 17.068 -36.360 -14.316 1.00 25.13 ATOM 600 HN SER 36 16.688 -35.458 -14.437 1.00 38.14 ATOM 601 CA SER 36 18.087 -36.561 -13.292 1.00 63.40 ATOM 602 HA SER 36 18.208 -37.622 -13.110 1.00 71.40 ATOM 603 CB SER 36 19.428 -35.992 -13.758 1.00 44.42 ATOM 604 HB1 SER 36 19.316 -34.942 -13.971 1.00 38.14 ATOM 605 HB2 SER 36 19.741 -36.508 -14.654 1.00 4.13 ATOM 606 OG SER 36 20.426 -36.159 -12.766 1.00 1.21 ATOM 607 HG SER 36 20.486 -35.366 -12.227 1.00 61.12 ATOM 608 C SER 36 17.673 -35.907 -11.977 1.00 63.24 ATOM 609 O SER 36 16.712 -35.140 -11.930 1.00 22.32 ATOM 610 N GLU 37 18.407 -36.217 -10.913 1.00 35.13 ATOM 611 HN GLU 37 19.159 -36.849 -11.008 1.00 38.14 ATOM 612 CA GLU 37 18.115 -35.660 -9.597 1.00 21.20 ATOM 613 HA GLU 37 17.587 -34.721 -9.726 1.00 61.24 ATOM 614 CB GLU 37 17.220 -36.613 -8.802 1.00 54.03 ATOM 615 HB1 GLU 37 16.697 -36.042 -8.047 1.00 38.14 ATOM 616 HB2 GLU 37 17.831 -37.364 -8.315 1.00 53.13 ATOM 617 CG GLU 37 16.191 -37.336 -9.656 1.00 0.42 ATOM 618 HG1 GLU 37 16.709 -37.995 -10.339 1.00 38.14 ATOM 619 HG2 GLU 37 15.644 -36.607 -10.218 1.00 63.30 ATOM 620 CD GLU 37 15.230 -38.169 -8.831 1.00 20.15 ATOM 621 OE1 GLU 37 14.838 -37.712 -7.736 1.00 64.11 ATOM 622 OE2 GLU 37 14.870 -39.278 -9.278 1.00 51.33 ATOM 623 C GLU 37 19.402 -35.390 -8.823 1.00 63.21 ATOM 624 O GLU 37 20.313 -36.219 -8.801 1.00 42.21 ATOM 625 N THR 38 19.471 -34.224 -8.189 1.00 1.22 ATOM 626 HN THR 38 18.716 -33.591 -8.251 1.00 38.14 ATOM 627 CA THR 38 20.646 -33.843 -7.415 1.00 40.43 ATOM 628 HA THR 38 21.105 -34.747 -7.022 1.00 72.42 ATOM 629 CB THR 38 21.677 -33.101 -8.288 1.00 33.52 ATOM 630 HB THR 38 22.155 -32.320 -7.708 1.00 12.24 ATOM 631 OG1 THR 38 21.025 -32.500 -9.412 1.00 70.42 ATOM 632 HG1 THR 38 20.769 -33.164 -10.065 1.00 23.23 ATOM 633 CG2 THR 38 22.760 -34.053 -8.772 1.00 71.52 ATOM 634 HG21 THR 38 23.269 -34.486 -7.923 1.00 52.31 ATOM 635 HG22 THR 38 23.471 -33.509 -9.376 1.00 73.04 ATOM 636 HG23 THR 38 22.314 -34.839 -9.364 1.00 50.14 ATOM 637 C THR 38 20.264 -32.955 -6.236 1.00 72.41 ATOM 638 O THR 38 19.465 -32.031 -6.376 1.00 14.42 ATOM 639 N GLY 39 20.841 -33.243 -5.073 1.00 60.23 ATOM 640 HN GLY 39 21.479 -33.994 -5.018 1.00 38.14 ATOM 641 CA GLY 39 20.548 -32.461 -3.886 1.00 63.32 ATOM 642 HA1 GLY 39 19.483 -32.444 -3.740 1.00 38.14 ATOM 643 HA2 GLY 39 20.896 -31.448 -4.037 1.00 34.21 ATOM 644 C GLY 39 21.193 -33.036 -2.640 1.00 53.42 ATOM 645 O GLY 39 21.188 -34.248 -2.433 1.00 64.33 ATOM 646 N GLY 40 21.750 -32.162 -1.808 1.00 5.34 ATOM 647 HN GLY 40 21.716 -31.198 -2.018 1.00 38.14 ATOM 648 CA GLY 40 22.396 -32.608 -0.587 1.00 32.12 ATOM 649 HA1 GLY 40 23.012 -33.473 -0.803 1.00 38.14 ATOM 650 HA2 GLY 40 21.635 -32.896 0.124 1.00 60.13 ATOM 651 C GLY 40 23.275 -31.538 0.029 1.00 13.32 ATOM 652 O GLY 40 24.431 -31.375 -0.360 1.00 2.22 ATOM 653 N SER 41 22.725 -30.805 0.992 1.00 1.41 ATOM 654 HN SER 41 21.797 -30.977 1.270 1.00 38.14 ATOM 655 CA SER 41 23.465 -29.740 1.659 1.00 23.14 ATOM 656 HA SER 41 22.780 -29.218 2.311 1.00 43.03 ATOM 657 CB SER 41 24.601 -30.329 2.499 1.00 15.54 ATOM 658 HB1 SER 41 25.465 -30.527 1.878 1.00 38.14 ATOM 659 HB2 SER 41 24.270 -31.255 2.949 1.00 43.24 ATOM 660 OG SER 41 24.978 -29.442 3.539 1.00 64.25 ATOM 661 HG SER 41 25.673 -29.843 4.066 1.00 0.22 ATOM 662 C SER 41 24.029 -28.751 0.644 1.00 71.14 ATOM 663 O SER 41 25.050 -28.108 0.887 1.00 44.21 ATOM 664 N HIS 42 23.356 -28.635 -0.497 1.00 34.33 ATOM 665 HN HIS 42 22.520 -29.135 -0.632 1.00 38.14 ATOM 666 CA HIS 42 23.788 -27.724 -1.551 1.00 31.53 ATOM 667 HA HIS 42 24.198 -26.835 -1.083 1.00 60.13 ATOM 668 CB HIS 42 24.863 -28.384 -2.415 1.00 31.32 ATOM 669 HB1 HIS 42 24.401 -28.997 -3.180 1.00 38.14 ATOM 670 HB2 HIS 42 25.478 -29.016 -1.789 1.00 24.11 ATOM 671 CG HIS 42 25.776 -27.405 -3.086 1.00 24.32 ATOM 672 ND1 HIS 42 26.539 -26.490 -2.392 1.00 11.32 ATOM 673 HD1 HIS 42 26.563 -26.386 -1.418 1.00 73.11 ATOM 674 CD2 HIS 42 26.049 -27.203 -4.396 1.00 73.22 ATOM 675 HD2 HIS 42 25.628 -27.747 -5.230 1.00 21.24 ATOM 676 CE1 HIS 42 27.239 -25.766 -3.246 1.00 43.53 ATOM 677 HE1 HIS 42 27.924 -24.972 -2.988 1.00 60.24 ATOM 678 NE2 HIS 42 26.960 -26.179 -4.469 1.00 44.13 ATOM 679 HE2 HIS 42 27.412 -25.876 -5.284 1.00 38.14 ATOM 680 C HIS 42 22.608 -27.301 -2.421 1.00 21.33 ATOM 681 O HIS 42 21.517 -27.861 -2.318 1.00 74.45 ATOM 682 N ASP 43 22.835 -26.310 -3.275 1.00 42.30 ATOM 683 HN ASP 43 23.714 -25.872 -3.287 1.00 38.14 ATOM 684 CA ASP 43 21.791 -25.811 -4.163 1.00 62.51 ATOM 685 HA ASP 43 21.028 -25.351 -3.546 1.00 2.12 ATOM 686 CB ASP 43 22.361 -24.758 -5.114 1.00 50.12 ATOM 687 HB1 ASP 43 21.639 -24.539 -5.892 1.00 38.14 ATOM 688 HB2 ASP 43 23.263 -25.142 -5.567 1.00 11.24 ATOM 689 CG ASP 43 22.699 -23.461 -4.406 1.00 1.21 ATOM 690 OD1 ASP 43 21.940 -22.482 -4.566 1.00 44.41 ATOM 691 OD2 ASP 43 23.722 -23.425 -3.691 1.00 31.14 ATOM 692 C ASP 43 21.168 -26.952 -4.962 1.00 15.31 ATOM 693 O ASP 43 21.820 -27.559 -5.811 1.00 51.34 ATOM 694 N LYS 44 19.901 -27.239 -4.683 1.00 55.41 ATOM 695 HN LYS 44 19.430 -26.722 -3.986 1.00 38.14 ATOM 696 CA LYS 44 19.187 -28.306 -5.375 1.00 1.32 ATOM 697 HA LYS 44 19.642 -29.247 -5.090 1.00 54.32 ATOM 698 CB LYS 44 17.713 -28.311 -4.964 1.00 31.41 ATOM 699 HB1 LYS 44 17.130 -28.851 -5.703 1.00 38.14 ATOM 700 HB2 LYS 44 17.360 -27.290 -4.929 1.00 0.35 ATOM 701 CG LYS 44 17.463 -28.940 -3.604 1.00 60.31 ATOM 702 HG1 LYS 44 16.538 -28.542 -3.210 1.00 38.14 ATOM 703 HG2 LYS 44 18.275 -28.691 -2.932 1.00 11.33 ATOM 704 CD LYS 44 17.346 -30.452 -3.702 1.00 34.10 ATOM 705 HD1 LYS 44 18.280 -30.852 -4.052 1.00 38.14 ATOM 706 HD2 LYS 44 16.562 -30.700 -4.396 1.00 32.22 ATOM 707 CE LYS 44 17.007 -31.073 -2.355 1.00 64.24 ATOM 708 HE1 LYS 44 15.967 -30.879 -2.136 1.00 38.14 ATOM 709 HE2 LYS 44 17.626 -30.626 -1.587 1.00 53.11 ATOM 710 NZ LYS 44 17.236 -32.545 -2.350 1.00 54.24 ATOM 711 HZ1 LYS 44 16.640 -32.989 -1.622 1.00 31.22 ATOM 712 HZ2 LYS 44 18.228 -32.751 -2.128 1.00 32.42 ATOM 713 HZ3 LYS 44 17.001 -32.967 -3.275 1.00 2.14 ATOM 714 C LYS 44 19.303 -28.146 -6.887 1.00 65.43 ATOM 715 O LYS 44 19.464 -27.036 -7.393 1.00 40.44 ATOM 716 N ARG 45 19.220 -29.263 -7.603 1.00 41.25 ATOM 717 HN ARG 45 19.105 -30.128 -7.141 1.00 38.14 ATOM 718 CA ARG 45 19.316 -29.246 -9.058 1.00 72.32 ATOM 719 HA ARG 45 18.903 -28.310 -9.419 1.00 4.54 ATOM 720 CB ARG 45 20.779 -29.333 -9.495 1.00 43.42 ATOM 721 HB1 ARG 45 21.221 -30.218 -9.075 1.00 38.14 ATOM 722 HB2 ARG 45 21.299 -28.468 -9.105 1.00 63.12 ATOM 723 CG ARG 45 20.964 -29.361 -11.004 1.00 32.34 ATOM 724 HG1 ARG 45 20.480 -28.496 -11.436 1.00 38.14 ATOM 725 HG2 ARG 45 20.521 -30.261 -11.402 1.00 62.41 ATOM 726 CD ARG 45 22.436 -29.343 -11.385 1.00 53.13 ATOM 727 HD1 ARG 45 22.525 -29.637 -12.421 1.00 38.14 ATOM 728 HD2 ARG 45 22.966 -30.057 -10.766 1.00 63.52 ATOM 729 NE ARG 45 23.028 -28.018 -11.219 1.00 73.31 ATOM 730 HE ARG 45 22.419 -27.252 -11.099 1.00 55.13 ATOM 731 CZ ARG 45 24.337 -27.792 -11.225 1.00 33.44 ATOM 732 NH1 ARG 45 25.186 -28.798 -11.387 1.00 54.35 ATOM 733 HH11 ARG 45 24.869 -29.735 -11.510 1.00 61.32 ATOM 734 HH12 ARG 45 26.172 -28.617 -11.387 1.00 52.24 ATOM 735 NH2 ARG 45 24.799 -26.559 -11.067 1.00 50.44 ATOM 736 HH21 ARG 45 24.163 -25.795 -10.943 1.00 20.15 ATOM 737 HH22 ARG 45 25.786 -26.386 -11.071 1.00 40.45 ATOM 738 C ARG 45 18.523 -30.398 -9.668 1.00 71.43 ATOM 739 O ARG 45 18.617 -31.539 -9.215 1.00 63.43 ATOM 740 N PHE 46 17.741 -30.092 -10.698 1.00 41.22 ATOM 741 HN PHE 46 17.694 -29.159 -11.015 1.00 38.14 ATOM 742 CA PHE 46 16.930 -31.101 -11.370 1.00 4.13 ATOM 743 HA PHE 46 17.315 -32.086 -11.124 1.00 71.43 ATOM 744 CB PHE 46 15.475 -31.007 -10.907 1.00 51.23 ATOM 745 HB1 PHE 46 14.836 -31.533 -11.610 1.00 38.14 ATOM 746 HB2 PHE 46 15.180 -29.966 -10.885 1.00 22.13 ATOM 747 CG PHE 46 15.242 -31.583 -9.540 1.00 0.53 ATOM 748 CD1 PHE 46 14.521 -32.755 -9.381 1.00 12.34 ATOM 749 HD1 PHE 46 14.119 -33.247 -10.240 1.00 5.22 ATOM 750 CD2 PHE 46 15.744 -30.951 -8.413 1.00 70.01 ATOM 751 HD2 PHE 46 16.291 -30.029 -8.513 1.00 24.32 ATOM 752 CE1 PHE 46 14.305 -33.287 -8.124 1.00 30.55 ATOM 753 HE1 PHE 46 13.741 -34.201 -8.014 1.00 4.50 ATOM 754 CE2 PHE 46 15.532 -31.479 -7.154 1.00 32.23 ATOM 755 HE2 PHE 46 15.925 -30.977 -6.291 1.00 73.25 ATOM 756 CZ PHE 46 14.810 -32.648 -7.009 1.00 24.14 ATOM 757 HZ PHE 46 14.642 -33.062 -6.026 1.00 15.23 ATOM 758 C PHE 46 17.006 -30.939 -12.885 1.00 72.02 ATOM 759 O PHE 46 17.268 -29.848 -13.392 1.00 72.21 ATOM 760 N VAL 47 16.775 -32.033 -13.603 1.00 72.44 ATOM 761 HN VAL 47 16.577 -32.884 -13.148 1.00 38.14 ATOM 762 CA VAL 47 16.816 -32.014 -15.061 1.00 33.23 ATOM 763 HA VAL 47 16.925 -30.986 -15.397 1.00 55.03 ATOM 764 CB VAL 47 18.018 -32.813 -15.599 1.00 54.11 ATOM 765 HB VAL 47 17.852 -33.865 -15.408 1.00 31.40 ATOM 766 CG1 VAL 47 18.157 -32.620 -17.101 1.00 64.14 ATOM 767 HG11 VAL 47 18.267 -31.568 -17.324 1.00 62.52 ATOM 768 HG12 VAL 47 17.284 -33.005 -17.605 1.00 61.41 ATOM 769 HG13 VAL 47 19.030 -33.152 -17.456 1.00 60.54 ATOM 770 CG2 VAL 47 19.294 -32.404 -14.880 1.00 10.34 ATOM 771 HG21 VAL 47 19.209 -32.631 -13.827 1.00 10.23 ATOM 772 HG22 VAL 47 19.461 -31.344 -15.007 1.00 4.14 ATOM 773 HG23 VAL 47 20.133 -32.949 -15.292 1.00 64.23 ATOM 774 C VAL 47 15.533 -32.586 -15.654 1.00 51.41 ATOM 775 O VAL 47 15.303 -33.794 -15.614 1.00 42.12 ATOM 776 N MET 48 14.700 -31.708 -16.205 1.00 22.32 ATOM 777 HN MET 48 14.937 -30.751 -16.220 1.00 38.14 ATOM 778 CA MET 48 13.440 -32.126 -16.809 1.00 22.23 ATOM 779 HA MET 48 13.219 -33.143 -16.504 1.00 13.31 ATOM 780 CB MET 48 12.298 -31.228 -16.330 1.00 70.10 ATOM 781 HB1 MET 48 11.357 -31.659 -16.641 1.00 38.14 ATOM 782 HB2 MET 48 12.402 -30.251 -16.788 1.00 33.11 ATOM 783 CG MET 48 12.272 -31.029 -14.823 1.00 42.23 ATOM 784 HG1 MET 48 11.565 -30.259 -14.586 1.00 38.14 ATOM 785 HG2 MET 48 13.246 -30.726 -14.493 1.00 64.50 ATOM 786 SD MET 48 11.824 -32.531 -13.932 1.00 4.44 ATOM 787 CE MET 48 10.052 -32.562 -14.190 1.00 63.31 ATOM 788 HE1 MET 48 9.568 -31.965 -13.433 1.00 32.03 ATOM 789 HE2 MET 48 9.699 -33.580 -14.122 1.00 65.51 ATOM 790 HE3 MET 48 9.816 -32.166 -15.167 1.00 71.23 ATOM 791 C MET 48 13.528 -32.089 -18.331 1.00 42.11 ATOM 792 O MET 48 14.330 -31.347 -18.897 1.00 2.33 ATOM 793 N GLU 49 12.699 -32.894 -18.987 1.00 71.34 ATOM 794 HN GLU 49 12.083 -33.476 -18.483 1.00 38.14 ATOM 795 CA GLU 49 12.685 -32.953 -20.444 1.00 44.24 ATOM 796 HA GLU 49 13.231 -32.106 -20.829 1.00 32.23 ATOM 797 CB GLU 49 13.374 -34.229 -20.932 1.00 44.01 ATOM 798 HB1 GLU 49 12.861 -35.074 -20.498 1.00 38.14 ATOM 799 HB2 GLU 49 14.398 -34.228 -20.598 1.00 31.33 ATOM 800 CG GLU 49 13.354 -34.393 -22.443 1.00 11.54 ATOM 801 HG1 GLU 49 13.913 -33.583 -22.887 1.00 38.14 ATOM 802 HG2 GLU 49 12.335 -34.363 -22.797 1.00 73.32 ATOM 803 CD GLU 49 13.965 -35.704 -22.896 1.00 21.23 ATOM 804 OE1 GLU 49 15.206 -35.768 -23.022 1.00 1.44 ATOM 805 OE2 GLU 49 13.203 -36.667 -23.125 1.00 3.34 ATOM 806 C GLU 49 11.257 -32.897 -20.978 1.00 32.31 ATOM 807 O GLU 49 10.371 -33.598 -20.488 1.00 24.52 ATOM 808 N VAL 50 11.040 -32.058 -21.985 1.00 52.24 ATOM 809 HN VAL 50 11.785 -31.527 -22.346 1.00 38.14 ATOM 810 CA VAL 50 9.720 -31.910 -22.587 1.00 33.14 ATOM 811 HA VAL 50 9.053 -32.632 -22.144 1.00 15.10 ATOM 812 CB VAL 50 9.137 -30.509 -22.325 1.00 3.54 ATOM 813 HB VAL 50 9.117 -30.343 -21.258 1.00 55.25 ATOM 814 CG1 VAL 50 10.015 -29.439 -22.956 1.00 40.31 ATOM 815 HG11 VAL 50 9.693 -28.479 -22.597 1.00 5.42 ATOM 816 HG12 VAL 50 9.923 -29.457 -24.032 1.00 12.00 ATOM 817 HG13 VAL 50 11.048 -29.586 -22.679 1.00 4.22 ATOM 818 CG2 VAL 50 7.712 -30.418 -22.848 1.00 51.13 ATOM 819 HG21 VAL 50 7.285 -29.470 -22.553 1.00 51.43 ATOM 820 HG22 VAL 50 7.117 -31.219 -22.430 1.00 11.52 ATOM 821 HG23 VAL 50 7.703 -30.490 -23.926 1.00 65.45 ATOM 822 C VAL 50 9.770 -32.154 -24.091 1.00 24.34 ATOM 823 O VAL 50 10.616 -31.599 -24.791 1.00 1.11 ATOM 824 N GLU 51 8.859 -32.989 -24.580 1.00 53.23 ATOM 825 HN GLU 51 8.194 -33.396 -23.975 1.00 38.14 ATOM 826 CA GLU 51 8.800 -33.307 -26.002 1.00 43.42 ATOM 827 HA GLU 51 9.749 -33.061 -26.456 1.00 72.33 ATOM 828 CB GLU 51 8.560 -34.804 -26.203 1.00 73.23 ATOM 829 HB1 GLU 51 7.708 -35.096 -25.604 1.00 38.14 ATOM 830 HB2 GLU 51 9.424 -35.349 -25.864 1.00 42.23 ATOM 831 CG GLU 51 8.279 -35.187 -27.647 1.00 33.14 ATOM 832 HG1 GLU 51 9.142 -34.941 -28.247 1.00 38.14 ATOM 833 HG2 GLU 51 7.422 -34.641 -28.007 1.00 20.14 ATOM 834 CD GLU 51 7.983 -36.665 -27.811 1.00 73.11 ATOM 835 OE1 GLU 51 7.774 -37.103 -28.962 1.00 33.21 ATOM 836 OE2 GLU 51 7.960 -37.383 -26.790 1.00 33.40 ATOM 837 C GLU 51 7.701 -32.506 -26.694 1.00 35.21 ATOM 838 O GLU 51 6.522 -32.633 -26.361 1.00 1.31 ATOM 839 N VAL 52 8.095 -31.681 -27.659 1.00 32.04 ATOM 840 HN VAL 52 9.049 -31.609 -27.883 1.00 38.14 ATOM 841 CA VAL 52 7.144 -30.860 -28.398 1.00 52.23 ATOM 842 HA VAL 52 6.134 -31.142 -28.111 1.00 63.34 ATOM 843 CB VAL 52 7.321 -29.365 -28.073 1.00 0.13 ATOM 844 HB VAL 52 8.318 -29.064 -28.366 1.00 31.53 ATOM 845 CG1 VAL 52 6.323 -28.526 -28.856 1.00 42.41 ATOM 846 HG11 VAL 52 6.622 -28.479 -29.892 1.00 72.04 ATOM 847 HG12 VAL 52 6.289 -27.520 -28.456 1.00 72.24 ATOM 848 HG13 VAL 52 5.343 -28.970 -28.788 1.00 65.21 ATOM 849 CG2 VAL 52 7.175 -29.125 -26.578 1.00 15.43 ATOM 850 HG21 VAL 52 7.194 -30.044 -26.021 1.00 61.00 ATOM 851 HG22 VAL 52 6.246 -28.615 -26.370 1.00 4.05 ATOM 852 HG23 VAL 52 7.997 -28.505 -26.251 1.00 55.02 ATOM 853 C VAL 52 7.295 -31.063 -29.902 1.00 3.34 ATOM 854 O VAL 52 8.310 -30.687 -30.490 1.00 34.41 ATOM 855 N ASP 53 6.280 -31.658 -30.518 1.00 22.22 ATOM 856 HN ASP 53 5.490 -31.941 -30.004 1.00 38.14 ATOM 857 CA ASP 53 6.299 -31.910 -31.954 1.00 42.01 ATOM 858 HA ASP 53 5.356 -32.371 -32.209 1.00 23.22 ATOM 859 CB ASP 53 6.456 -30.596 -32.722 1.00 24.53 ATOM 860 HB1 ASP 53 7.493 -30.294 -32.735 1.00 38.14 ATOM 861 HB2 ASP 53 5.874 -29.828 -32.232 1.00 50.41 ATOM 862 CG ASP 53 5.972 -30.702 -34.154 1.00 53.53 ATOM 863 OD1 ASP 53 6.584 -30.063 -35.036 1.00 73.35 ATOM 864 OD2 ASP 53 4.981 -31.423 -34.393 1.00 52.45 ATOM 865 C ASP 53 7.428 -32.867 -32.323 1.00 60.51 ATOM 866 O ASP 53 7.937 -32.841 -33.443 1.00 2.24 ATOM 867 N GLY 54 7.815 -33.713 -31.372 1.00 42.43 ATOM 868 HN GLY 54 7.365 -33.729 -30.501 1.00 38.14 ATOM 869 CA GLY 54 8.882 -34.666 -31.616 1.00 40.44 ATOM 870 HA1 GLY 54 8.942 -34.904 -32.671 1.00 38.14 ATOM 871 HA2 GLY 54 8.656 -35.573 -31.075 1.00 51.22 ATOM 872 C GLY 54 10.232 -34.157 -31.151 1.00 51.43 ATOM 873 O GLY 54 11.184 -34.927 -31.030 1.00 50.12 ATOM 874 N GLN 55 10.315 -32.856 -30.892 1.00 13.33 ATOM 875 HN GLN 55 9.532 -32.280 -30.981 1.00 38.14 ATOM 876 CA GLN 55 11.559 -32.245 -30.440 1.00 23.13 ATOM 877 HA GLN 55 12.390 -32.834 -30.816 1.00 42.13 ATOM 878 CB GLN 55 11.693 -30.830 -31.005 1.00 73.25 ATOM 879 HB1 GLN 55 12.643 -30.413 -30.702 1.00 38.14 ATOM 880 HB2 GLN 55 10.894 -30.225 -30.603 1.00 33.34 ATOM 881 CG GLN 55 11.608 -30.771 -32.522 1.00 54.11 ATOM 882 HG1 GLN 55 10.754 -31.345 -32.858 1.00 38.14 ATOM 883 HG2 GLN 55 12.509 -31.201 -32.933 1.00 32.33 ATOM 884 CD GLN 55 11.473 -29.354 -33.044 1.00 44.11 ATOM 885 OE1 GLN 55 12.470 -28.667 -33.272 1.00 34.00 ATOM 886 NE2 GLN 55 10.237 -28.908 -33.237 1.00 24.33 ATOM 887 HE21 GLN 55 9.480 -29.497 -33.028 1.00 64.13 ATOM 888 HE22 GLN 55 10.130 -28.016 -33.616 1.00 23.04 ATOM 889 C GLN 55 11.624 -32.205 -28.917 1.00 0.35 ATOM 890 O GLN 55 10.807 -31.553 -28.267 1.00 14.54 ATOM 891 N LYS 56 12.601 -32.906 -28.352 1.00 61.10 ATOM 892 HN LYS 56 13.238 -33.399 -28.922 1.00 38.14 ATOM 893 CA LYS 56 12.774 -32.951 -26.905 1.00 3.50 ATOM 894 HA LYS 56 11.806 -32.846 -26.441 1.00 5.12 ATOM 895 CB LYS 56 13.370 -34.296 -26.483 1.00 10.40 ATOM 896 HB1 LYS 56 13.701 -34.228 -25.453 1.00 38.14 ATOM 897 HB2 LYS 56 14.230 -34.510 -27.104 1.00 43.00 ATOM 898 CG LYS 56 12.387 -35.450 -26.571 1.00 65.54 ATOM 899 HG1 LYS 56 11.394 -35.093 -26.350 1.00 38.14 ATOM 900 HG2 LYS 56 12.669 -36.197 -25.843 1.00 14.42 ATOM 901 CD LYS 56 12.394 -36.084 -27.953 1.00 11.52 ATOM 902 HD1 LYS 56 13.391 -36.444 -28.169 1.00 38.14 ATOM 903 HD2 LYS 56 12.109 -35.346 -28.686 1.00 53.11 ATOM 904 CE LYS 56 11.418 -37.247 -28.037 1.00 24.50 ATOM 905 HE1 LYS 56 10.473 -36.864 -28.362 1.00 38.14 ATOM 906 HE2 LYS 56 11.307 -37.712 -27.066 1.00 15.41 ATOM 907 NZ LYS 56 11.869 -38.280 -29.011 1.00 41.53 ATOM 908 HZ1 LYS 56 11.952 -37.868 -29.964 1.00 21.54 ATOM 909 HZ2 LYS 56 11.181 -39.059 -29.045 1.00 34.12 ATOM 910 HZ3 LYS 56 12.794 -38.665 -28.728 1.00 10.21 ATOM 911 C LYS 56 13.673 -31.813 -26.429 1.00 74.24 ATOM 912 O LYS 56 14.704 -31.527 -27.038 1.00 54.04 ATOM 913 N PHE 57 13.275 -31.169 -25.337 1.00 44.32 ATOM 914 HN PHE 57 12.439 -31.434 -24.889 1.00 38.14 ATOM 915 CA PHE 57 14.045 -30.063 -24.780 1.00 2.24 ATOM 916 HA PHE 57 14.999 -30.002 -25.294 1.00 14.01 ATOM 917 CB PHE 57 13.304 -28.741 -24.989 1.00 15.24 ATOM 918 HB1 PHE 57 13.872 -27.944 -24.529 1.00 38.14 ATOM 919 HB2 PHE 57 12.336 -28.800 -24.506 1.00 40.14 ATOM 920 CG PHE 57 13.089 -28.396 -26.435 1.00 1.14 ATOM 921 CD1 PHE 57 12.012 -28.918 -27.133 1.00 13.55 ATOM 922 HD1 PHE 57 11.319 -29.580 -26.631 1.00 43.04 ATOM 923 CD2 PHE 57 13.964 -27.550 -27.096 1.00 4.31 ATOM 924 HD2 PHE 57 14.810 -27.135 -26.565 1.00 45.10 ATOM 925 CE1 PHE 57 11.813 -28.602 -28.463 1.00 74.34 ATOM 926 HE1 PHE 57 10.968 -29.009 -28.989 1.00 52.11 ATOM 927 CE2 PHE 57 13.770 -27.230 -28.427 1.00 23.53 ATOM 928 HE2 PHE 57 14.460 -26.569 -28.931 1.00 20.04 ATOM 929 CZ PHE 57 12.692 -27.757 -29.111 1.00 2.21 ATOM 930 HZ PHE 57 12.537 -27.509 -30.151 1.00 20.33 ATOM 931 C PHE 57 14.311 -30.280 -23.293 1.00 21.21 ATOM 932 O PHE 57 13.384 -30.486 -22.510 1.00 51.23 ATOM 933 N GLN 58 15.584 -30.234 -22.913 1.00 13.45 ATOM 934 HN GLN 58 16.288 -30.053 -23.579 1.00 38.14 ATOM 935 CA GLN 58 15.972 -30.427 -21.520 1.00 50.24 ATOM 936 HA GLN 58 15.126 -30.826 -20.981 1.00 55.53 ATOM 937 CB GLN 58 17.133 -31.419 -21.426 1.00 14.35 ATOM 938 HB1 GLN 58 17.809 -31.119 -20.634 1.00 38.14 ATOM 939 HB2 GLN 58 17.678 -31.413 -22.362 1.00 44.32 ATOM 940 CG GLN 58 16.692 -32.844 -21.135 1.00 23.33 ATOM 941 HG1 GLN 58 15.880 -33.104 -21.802 1.00 38.14 ATOM 942 HG2 GLN 58 16.348 -32.899 -20.113 1.00 1.14 ATOM 943 CD GLN 58 17.810 -33.850 -21.323 1.00 65.53 ATOM 944 OE1 GLN 58 18.988 -33.491 -21.342 1.00 40.14 ATOM 945 NE2 GLN 58 17.447 -35.120 -21.464 1.00 4.01 ATOM 946 HE21 GLN 58 16.491 -35.350 -21.441 1.00 4.43 ATOM 947 HE22 GLN 58 18.156 -35.786 -21.587 1.00 63.12 ATOM 948 C GLN 58 16.366 -29.102 -20.876 1.00 40.23 ATOM 949 O GLN 58 16.917 -28.220 -21.534 1.00 21.02 ATOM 950 N GLY 59 16.079 -28.969 -19.585 1.00 0.52 ATOM 951 HN GLY 59 15.625 -29.703 -19.107 1.00 38.14 ATOM 952 CA GLY 59 16.410 -27.748 -18.873 1.00 41.34 ATOM 953 HA1 GLY 59 15.555 -27.090 -18.904 1.00 38.14 ATOM 954 HA2 GLY 59 17.246 -27.253 -19.357 1.00 3.02 ATOM 955 C GLY 59 16.770 -28.001 -17.423 1.00 32.21 ATOM 956 O GLY 59 16.168 -28.851 -16.767 1.00 1.44 ATOM 957 N ALA 60 17.755 -27.264 -16.922 1.00 2.33 ATOM 958 HN ALA 60 18.203 -26.594 -17.488 1.00 38.14 ATOM 959 CA ALA 60 18.194 -27.413 -15.540 1.00 1.33 ATOM 960 HA ALA 60 17.634 -28.211 -15.075 1.00 22.10 ATOM 961 CB ALA 60 19.664 -27.801 -15.492 1.00 4.12 ATOM 962 HB1 ALA 60 20.264 -27.010 -15.920 1.00 44.31 ATOM 963 HB2 ALA 60 19.813 -28.709 -16.058 1.00 33.42 ATOM 964 HB3 ALA 60 19.964 -27.966 -14.467 1.00 13.33 ATOM 965 C ALA 60 17.957 -26.132 -14.747 1.00 41.43 ATOM 966 O ALA 60 18.032 -25.031 -15.291 1.00 50.34 ATOM 967 N GLY 61 17.670 -26.283 -13.458 1.00 20.02 ATOM 968 HN GLY 61 17.611 -27.190 -13.074 1.00 38.14 ATOM 969 CA GLY 61 17.426 -25.130 -12.612 1.00 15.52 ATOM 970 HA1 GLY 61 16.386 -24.891 -12.677 1.00 38.14 ATOM 971 HA2 GLY 61 18.004 -24.282 -12.964 1.00 72.44 ATOM 972 C GLY 61 17.789 -25.386 -11.163 1.00 3.22 ATOM 973 O GLY 61 18.909 -25.799 -10.860 1.00 74.45 ATOM 974 N SER 62 16.842 -25.138 -10.264 1.00 21.22 ATOM 975 HN SER 62 15.984 -24.771 -10.556 1.00 38.14 ATOM 976 CA SER 62 17.070 -25.340 -8.838 1.00 3.53 ATOM 977 HA SER 62 18.094 -25.636 -8.681 1.00 10.25 ATOM 978 CB SER 62 16.826 -24.038 -8.072 1.00 15.02 ATOM 979 HB1 SER 62 16.555 -24.254 -7.045 1.00 38.14 ATOM 980 HB2 SER 62 16.025 -23.484 -8.540 1.00 75.35 ATOM 981 OG SER 62 17.988 -23.227 -8.059 1.00 73.32 ATOM 982 HG SER 62 17.803 -22.410 -7.590 1.00 3.25 ATOM 983 C SER 62 16.166 -26.441 -8.293 1.00 23.20 ATOM 984 O SER 62 16.494 -27.095 -7.304 1.00 35.03 ATOM 985 N ASN 63 15.027 -26.640 -8.947 1.00 74.12 ATOM 986 HN ASN 63 14.790 -26.077 -9.705 1.00 38.14 ATOM 987 CA ASN 63 14.074 -27.662 -8.529 1.00 54.11 ATOM 988 HA ASN 63 14.621 -28.502 -8.126 1.00 33.53 ATOM 989 CB ASN 63 13.149 -27.112 -7.441 1.00 53.25 ATOM 990 HB1 ASN 63 13.665 -27.168 -6.493 1.00 38.14 ATOM 991 HB2 ASN 63 12.242 -27.694 -7.372 1.00 13.34 ATOM 992 CG ASN 63 12.767 -25.665 -7.685 1.00 55.41 ATOM 993 OD1 ASN 63 11.732 -25.377 -8.287 1.00 70.22 ATOM 994 ND2 ASN 63 13.603 -24.745 -7.217 1.00 73.20 ATOM 995 HD21 ASN 63 14.413 -25.031 -6.740 1.00 40.43 ATOM 996 HD22 ASN 63 13.375 -23.804 -7.368 1.00 14.20 ATOM 997 C ASN 63 13.248 -28.153 -9.714 1.00 53.12 ATOM 998 O ASN 63 13.439 -27.707 -10.846 1.00 31.51 ATOM 999 N LYS 64 12.328 -29.074 -9.446 1.00 52.52 ATOM 1000 HN LYS 64 12.241 -29.421 -8.527 1.00 38.14 ATOM 1001 CA LYS 64 11.470 -29.625 -10.488 1.00 42.05 ATOM 1002 HA LYS 64 12.101 -30.133 -11.207 1.00 71.23 ATOM 1003 CB LYS 64 10.480 -30.625 -9.887 1.00 0.21 ATOM 1004 HB1 LYS 64 9.613 -30.698 -10.536 1.00 38.14 ATOM 1005 HB2 LYS 64 10.158 -30.263 -8.920 1.00 20.45 ATOM 1006 CG LYS 64 11.058 -32.017 -9.701 1.00 44.13 ATOM 1007 HG1 LYS 64 11.518 -32.064 -8.724 1.00 38.14 ATOM 1008 HG2 LYS 64 11.807 -32.205 -10.462 1.00 1.33 ATOM 1009 CD LYS 64 9.984 -33.086 -9.811 1.00 64.20 ATOM 1010 HD1 LYS 64 9.800 -33.288 -10.856 1.00 38.14 ATOM 1011 HD2 LYS 64 9.071 -32.737 -9.344 1.00 31.44 ATOM 1012 CE LYS 64 10.411 -34.377 -9.129 1.00 63.01 ATOM 1013 HE1 LYS 64 11.443 -34.595 -9.375 1.00 38.14 ATOM 1014 HE2 LYS 64 9.784 -35.178 -9.492 1.00 13.44 ATOM 1015 NZ LYS 64 10.270 -34.295 -7.649 1.00 25.21 ATOM 1016 HZ1 LYS 64 10.548 -35.200 -7.217 1.00 13.23 ATOM 1017 HZ2 LYS 64 9.282 -34.093 -7.389 1.00 5.23 ATOM 1018 HZ3 LYS 64 10.879 -33.543 -7.267 1.00 34.43 ATOM 1019 C LYS 64 10.713 -28.517 -11.213 1.00 12.42 ATOM 1020 O LYS 64 10.653 -28.492 -12.442 1.00 61.13 ATOM 1021 N LYS 65 10.136 -27.600 -10.443 1.00 43.42 ATOM 1022 HN LYS 65 10.207 -27.679 -9.462 1.00 38.14 ATOM 1023 CA LYS 65 9.385 -26.486 -11.011 1.00 31.42 ATOM 1024 HA LYS 65 8.555 -26.895 -11.573 1.00 33.21 ATOM 1025 CB LYS 65 8.851 -25.584 -9.896 1.00 74.02 ATOM 1026 HB1 LYS 65 8.825 -24.563 -10.249 1.00 38.14 ATOM 1027 HB2 LYS 65 9.517 -25.635 -9.051 1.00 70.12 ATOM 1028 CG LYS 65 7.464 -25.971 -9.413 1.00 33.04 ATOM 1029 HG1 LYS 65 7.551 -26.844 -8.783 1.00 38.14 ATOM 1030 HG2 LYS 65 6.836 -26.206 -10.264 1.00 72.10 ATOM 1031 CD LYS 65 6.821 -24.852 -8.610 1.00 73.41 ATOM 1032 HD1 LYS 65 7.530 -24.476 -7.883 1.00 38.14 ATOM 1033 HD2 LYS 65 5.960 -25.249 -8.092 1.00 52.04 ATOM 1034 CE LYS 65 6.377 -23.707 -9.507 1.00 3.20 ATOM 1035 HE1 LYS 65 7.015 -23.632 -10.375 1.00 38.14 ATOM 1036 HE2 LYS 65 6.446 -22.790 -8.943 1.00 24.43 ATOM 1037 NZ LYS 65 4.969 -23.872 -9.963 1.00 2.04 ATOM 1038 HZ1 LYS 65 4.324 -23.901 -9.145 1.00 23.21 ATOM 1039 HZ2 LYS 65 4.864 -24.755 -10.505 1.00 61.43 ATOM 1040 HZ3 LYS 65 4.698 -23.074 -10.573 1.00 43.31 ATOM 1041 C LYS 65 10.254 -25.673 -11.965 1.00 22.43 ATOM 1042 O LYS 65 9.930 -25.526 -13.143 1.00 61.22 ATOM 1043 N VAL 66 11.361 -25.148 -11.448 1.00 73.20 ATOM 1044 HN VAL 66 11.576 -25.329 -10.504 1.00 38.14 ATOM 1045 CA VAL 66 12.278 -24.352 -12.255 1.00 21.33 ATOM 1046 HA VAL 66 11.750 -23.467 -12.589 1.00 71.13 ATOM 1047 CB VAL 66 13.505 -23.908 -11.436 1.00 14.12 ATOM 1048 HB VAL 66 14.014 -24.788 -11.094 1.00 43.50 ATOM 1049 CG1 VAL 66 14.462 -23.104 -12.302 1.00 64.30 ATOM 1050 HG11 VAL 66 14.801 -23.690 -13.138 1.00 64.12 ATOM 1051 HG12 VAL 66 15.318 -22.808 -11.712 1.00 54.13 ATOM 1052 HG13 VAL 66 13.960 -22.218 -12.668 1.00 3.01 ATOM 1053 CG2 VAL 66 13.070 -23.104 -10.220 1.00 11.12 ATOM 1054 HG21 VAL 66 12.400 -23.676 -9.614 1.00 71.40 ATOM 1055 HG22 VAL 66 12.571 -22.201 -10.542 1.00 75.51 ATOM 1056 HG23 VAL 66 13.940 -22.839 -9.635 1.00 1.34 ATOM 1057 C VAL 66 12.752 -25.130 -13.477 1.00 74.52 ATOM 1058 O VAL 66 12.604 -24.675 -14.611 1.00 33.31 ATOM 1059 N ALA 67 13.321 -26.307 -13.238 1.00 64.25 ATOM 1060 HN ALA 67 13.415 -26.615 -12.306 1.00 38.14 ATOM 1061 CA ALA 67 13.815 -27.150 -14.320 1.00 73.52 ATOM 1062 HA ALA 67 14.638 -26.636 -14.797 1.00 23.41 ATOM 1063 CB ALA 67 14.340 -28.466 -13.766 1.00 30.51 ATOM 1064 HB1 ALA 67 13.545 -28.983 -13.249 1.00 54.12 ATOM 1065 HB2 ALA 67 15.144 -28.266 -13.073 1.00 72.33 ATOM 1066 HB3 ALA 67 14.710 -29.083 -14.574 1.00 70.15 ATOM 1067 C ALA 67 12.726 -27.408 -15.356 1.00 55.20 ATOM 1068 O ALA 67 13.002 -27.509 -16.551 1.00 42.14 ATOM 1069 N LYS 68 11.486 -27.514 -14.890 1.00 53.42 ATOM 1070 HN LYS 68 11.322 -27.444 -13.921 1.00 38.14 ATOM 1071 CA LYS 68 10.353 -27.759 -15.776 1.00 4.34 ATOM 1072 HA LYS 68 10.598 -28.599 -16.416 1.00 3.01 ATOM 1073 CB LYS 68 9.104 -28.093 -14.958 1.00 74.23 ATOM 1074 HB1 LYS 68 8.236 -27.731 -15.493 1.00 38.14 ATOM 1075 HB2 LYS 68 9.146 -27.592 -14.008 1.00 62.31 ATOM 1076 CG LYS 68 8.921 -29.580 -14.707 1.00 72.04 ATOM 1077 HG1 LYS 68 9.657 -29.898 -13.998 1.00 38.14 ATOM 1078 HG2 LYS 68 9.054 -30.124 -15.633 1.00 55.33 ATOM 1079 CD LYS 68 7.544 -29.885 -14.141 1.00 3.24 ATOM 1080 HD1 LYS 68 7.369 -29.268 -13.270 1.00 38.14 ATOM 1081 HD2 LYS 68 7.512 -30.926 -13.855 1.00 53.41 ATOM 1082 CE LYS 68 6.450 -29.623 -15.164 1.00 13.13 ATOM 1083 HE1 LYS 68 6.790 -29.926 -16.126 1.00 38.14 ATOM 1084 HE2 LYS 68 6.235 -28.566 -15.178 1.00 13.41 ATOM 1085 NZ LYS 68 5.197 -30.360 -14.837 1.00 45.41 ATOM 1086 HZ1 LYS 68 4.836 -30.065 -13.905 1.00 21.24 ATOM 1087 HZ2 LYS 68 5.374 -31.386 -14.820 1.00 42.00 ATOM 1088 HZ3 LYS 68 4.471 -30.160 -15.554 1.00 23.44 ATOM 1089 C LYS 68 10.084 -26.547 -16.663 1.00 24.51 ATOM 1090 O LYS 68 9.611 -26.685 -17.790 1.00 62.34 ATOM 1091 N ALA 69 10.391 -25.362 -16.147 1.00 14.24 ATOM 1092 HN ALA 69 10.743 -25.305 -15.234 1.00 38.14 ATOM 1093 CA ALA 69 10.185 -24.127 -16.894 1.00 30.23 ATOM 1094 HA ALA 69 9.212 -24.176 -17.362 1.00 50.01 ATOM 1095 CB ALA 69 10.195 -22.932 -15.952 1.00 33.43 ATOM 1096 HB1 ALA 69 9.290 -22.936 -15.363 1.00 63.15 ATOM 1097 HB2 ALA 69 10.254 -22.010 -16.511 1.00 11.52 ATOM 1098 HB3 ALA 69 11.043 -23.001 -15.294 1.00 44.11 ATOM 1099 C ALA 69 11.245 -23.958 -17.977 1.00 10.02 ATOM 1100 O ALA 69 10.929 -23.643 -19.124 1.00 40.14 ATOM 1101 N TYR 70 12.503 -24.168 -17.605 1.00 33.31 ATOM 1102 HN TYR 70 12.696 -24.415 -16.669 1.00 38.14 ATOM 1103 CA TYR 70 13.610 -24.036 -18.544 1.00 52.34 ATOM 1104 HA TYR 70 13.575 -23.041 -18.959 1.00 11.33 ATOM 1105 CB TYR 70 14.943 -24.253 -17.828 1.00 24.25 ATOM 1106 HB1 TYR 70 15.698 -24.550 -18.548 1.00 38.14 ATOM 1107 HB2 TYR 70 14.829 -25.045 -17.100 1.00 64.01 ATOM 1108 CG TYR 70 15.461 -23.019 -17.124 1.00 40.01 ATOM 1109 CD1 TYR 70 15.839 -23.064 -15.788 1.00 13.42 ATOM 1110 HD1 TYR 70 15.759 -23.997 -15.247 1.00 12.21 ATOM 1111 CD2 TYR 70 15.573 -21.808 -17.796 1.00 63.14 ATOM 1112 HD2 TYR 70 15.287 -21.750 -18.837 1.00 72.44 ATOM 1113 CE1 TYR 70 16.311 -21.938 -15.141 1.00 64.12 ATOM 1114 HE1 TYR 70 16.600 -21.994 -14.102 1.00 4.23 ATOM 1115 CE2 TYR 70 16.046 -20.678 -17.158 1.00 44.22 ATOM 1116 HE2 TYR 70 16.126 -19.746 -17.699 1.00 64.44 ATOM 1117 CZ TYR 70 16.414 -20.748 -15.831 1.00 14.25 ATOM 1118 OH TYR 70 16.885 -19.625 -15.190 1.00 43.23 ATOM 1119 HH TYR 70 17.834 -19.701 -15.053 1.00 54.33 ATOM 1120 C TYR 70 13.470 -25.028 -19.695 1.00 21.45 ATOM 1121 O TYR 70 13.761 -24.706 -20.846 1.00 73.11 ATOM 1122 N ALA 71 13.022 -26.238 -19.373 1.00 3.53 ATOM 1123 HN ALA 71 12.819 -26.448 -18.431 1.00 38.14 ATOM 1124 CA ALA 71 12.841 -27.277 -20.378 1.00 33.41 ATOM 1125 HA ALA 71 13.796 -27.456 -20.855 1.00 4.13 ATOM 1126 CB ALA 71 12.395 -28.575 -19.720 1.00 54.13 ATOM 1127 HB1 ALA 71 12.319 -29.354 -20.466 1.00 10.05 ATOM 1128 HB2 ALA 71 11.433 -28.432 -19.248 1.00 71.24 ATOM 1129 HB3 ALA 71 13.120 -28.864 -18.973 1.00 41.12 ATOM 1130 C ALA 71 11.834 -26.846 -21.438 1.00 75.04 ATOM 1131 O ALA 71 12.006 -27.130 -22.623 1.00 74.23 ATOM 1132 N ALA 72 10.782 -26.159 -21.004 1.00 50.14 ATOM 1133 HN ALA 72 10.690 -25.961 -20.042 1.00 38.14 ATOM 1134 CA ALA 72 9.748 -25.687 -21.917 1.00 71.41 ATOM 1135 HA ALA 72 9.573 -26.442 -22.669 1.00 54.11 ATOM 1136 CB ALA 72 8.442 -25.470 -21.168 1.00 34.31 ATOM 1137 HB1 ALA 72 7.673 -25.151 -21.858 1.00 61.41 ATOM 1138 HB2 ALA 72 8.580 -24.714 -20.408 1.00 23.15 ATOM 1139 HB3 ALA 72 8.141 -26.393 -20.702 1.00 24.34 ATOM 1140 C ALA 72 10.178 -24.403 -22.618 1.00 10.15 ATOM 1141 O ALA 72 9.894 -24.203 -23.799 1.00 53.22 ATOM 1142 N LEU 73 10.864 -23.535 -21.882 1.00 53.21 ATOM 1143 HN LEU 73 11.047 -23.740 -20.936 1.00 38.14 ATOM 1144 CA LEU 73 11.333 -22.268 -22.433 1.00 31.02 ATOM 1145 HA LEU 73 10.469 -21.709 -22.734 1.00 31.23 ATOM 1146 CB LEU 73 12.115 -21.488 -21.375 1.00 13.43 ATOM 1147 HB1 LEU 73 12.958 -20.997 -21.852 1.00 38.14 ATOM 1148 HB2 LEU 73 12.511 -22.192 -20.655 1.00 64.12 ATOM 1149 CG LEU 73 11.330 -20.419 -20.613 1.00 2.02 ATOM 1150 HG LEU 73 10.512 -20.886 -20.107 1.00 3.44 ATOM 1151 CD1 LEU 73 12.211 -19.756 -19.565 1.00 35.12 ATOM 1152 HD11 LEU 73 11.628 -19.042 -19.000 1.00 5.45 ATOM 1153 HD12 LEU 73 13.034 -19.247 -20.048 1.00 71.15 ATOM 1154 HD13 LEU 73 12.600 -20.509 -18.895 1.00 44.31 ATOM 1155 CD2 LEU 73 10.770 -19.382 -21.575 1.00 13.42 ATOM 1156 HD21 LEU 73 9.917 -19.793 -22.092 1.00 74.04 ATOM 1157 HD22 LEU 73 11.525 -19.100 -22.297 1.00 21.21 ATOM 1158 HD23 LEU 73 10.462 -18.501 -21.031 1.00 40.01 ATOM 1159 C LEU 73 12.208 -22.499 -23.661 1.00 12.22 ATOM 1160 O LEU 73 12.119 -21.766 -24.645 1.00 75.13 ATOM 1161 N ALA 74 13.052 -23.523 -23.595 1.00 72.44 ATOM 1162 HN ALA 74 13.095 -24.066 -22.772 1.00 38.14 ATOM 1163 CA ALA 74 13.940 -23.854 -24.703 1.00 53.53 ATOM 1164 HA ALA 74 14.614 -23.022 -24.854 1.00 12.50 ATOM 1165 CB ALA 74 14.774 -25.079 -24.363 1.00 65.33 ATOM 1166 HB1 ALA 74 14.120 -25.904 -24.139 1.00 25.22 ATOM 1167 HB2 ALA 74 15.388 -24.865 -23.500 1.00 33.14 ATOM 1168 HB3 ALA 74 15.410 -25.337 -25.199 1.00 72.11 ATOM 1169 C ALA 74 13.151 -24.088 -25.988 1.00 5.54 ATOM 1170 O ALA 74 13.588 -23.706 -27.073 1.00 13.40 ATOM 1171 N ALA 75 11.989 -24.718 -25.856 1.00 60.13 ATOM 1172 HN ALA 75 11.686 -25.005 -24.962 1.00 38.14 ATOM 1173 CA ALA 75 11.140 -25.002 -27.006 1.00 53.35 ATOM 1174 HA ALA 75 11.771 -25.208 -27.864 1.00 44.41 ATOM 1175 CB ALA 75 10.297 -26.242 -26.747 1.00 51.32 ATOM 1176 HB1 ALA 75 10.081 -26.732 -27.681 1.00 35.10 ATOM 1177 HB2 ALA 75 9.364 -25.964 -26.270 1.00 64.42 ATOM 1178 HB3 ALA 75 10.825 -26.912 -26.096 1.00 3.10 ATOM 1179 C ALA 75 10.245 -23.811 -27.335 1.00 64.24 ATOM 1180 O ALA 75 9.816 -23.641 -28.477 1.00 73.02 ATOM 1181 N LEU 76 9.968 -22.990 -26.329 1.00 12.12 ATOM 1182 HN LEU 76 10.313 -23.187 -25.434 1.00 38.14 ATOM 1183 CA LEU 76 9.123 -21.814 -26.511 1.00 63.50 ATOM 1184 HA LEU 76 8.257 -22.116 -27.075 1.00 34.03 ATOM 1185 CB LEU 76 8.685 -21.262 -25.154 1.00 11.22 ATOM 1186 HB1 LEU 76 8.706 -20.177 -25.190 1.00 38.14 ATOM 1187 HB2 LEU 76 9.402 -21.577 -24.416 1.00 63.54 ATOM 1188 CG LEU 76 7.295 -21.682 -24.675 1.00 72.31 ATOM 1189 HG LEU 76 7.244 -22.754 -24.662 1.00 34.03 ATOM 1190 CD1 LEU 76 7.044 -21.183 -23.261 1.00 33.23 ATOM 1191 HD11 LEU 76 7.088 -20.102 -23.241 1.00 4.45 ATOM 1192 HD12 LEU 76 7.797 -21.584 -22.596 1.00 63.43 ATOM 1193 HD13 LEU 76 6.068 -21.509 -22.929 1.00 64.22 ATOM 1194 CD2 LEU 76 6.224 -21.163 -25.624 1.00 4.11 ATOM 1195 HD21 LEU 76 5.757 -22.002 -26.118 1.00 40.13 ATOM 1196 HD22 LEU 76 6.660 -20.513 -26.372 1.00 34.23 ATOM 1197 HD23 LEU 76 5.473 -20.612 -25.088 1.00 52.22 ATOM 1198 C LEU 76 9.856 -20.734 -27.300 1.00 24.30 ATOM 1199 O LEU 76 9.292 -20.125 -28.207 1.00 54.43 ATOM 1200 N GLU 77 11.118 -20.505 -26.948 1.00 72.15 ATOM 1201 HN GLU 77 11.524 -21.034 -26.223 1.00 38.14 ATOM 1202 CA GLU 77 11.928 -19.499 -27.625 1.00 60.34 ATOM 1203 HA GLU 77 11.311 -18.632 -27.818 1.00 63.51 ATOM 1204 CB GLU 77 13.102 -19.077 -26.739 1.00 60.34 ATOM 1205 HB1 GLU 77 13.620 -18.251 -27.208 1.00 38.14 ATOM 1206 HB2 GLU 77 13.788 -19.910 -26.644 1.00 73.24 ATOM 1207 CG GLU 77 12.688 -18.658 -25.339 1.00 53.31 ATOM 1208 HG1 GLU 77 13.577 -18.585 -24.729 1.00 38.14 ATOM 1209 HG2 GLU 77 12.030 -19.395 -24.913 1.00 22.41 ATOM 1210 CD GLU 77 11.982 -17.316 -25.317 1.00 3.41 ATOM 1211 OE1 GLU 77 12.529 -16.367 -24.717 1.00 2.02 ATOM 1212 OE2 GLU 77 10.883 -17.214 -25.900 1.00 73.45 ATOM 1213 C GLU 77 12.447 -20.027 -28.960 1.00 5.13 ATOM 1214 O GLU 77 12.733 -19.256 -29.877 1.00 20.54 ATOM 1215 N LYS 78 12.568 -21.346 -29.061 1.00 21.22 ATOM 1216 HN LYS 78 12.333 -21.921 -28.298 1.00 38.14 ATOM 1217 CA LYS 78 13.052 -21.979 -30.282 1.00 22.43 ATOM 1218 HA LYS 78 13.826 -21.352 -30.711 1.00 71.24 ATOM 1219 CB LYS 78 13.654 -23.351 -29.966 1.00 14.33 ATOM 1220 HB1 LYS 78 12.884 -24.004 -29.577 1.00 38.14 ATOM 1221 HB2 LYS 78 14.408 -23.211 -29.206 1.00 63.25 ATOM 1222 CG LYS 78 14.332 -24.006 -31.156 1.00 22.21 ATOM 1223 HG1 LYS 78 15.202 -24.538 -30.794 1.00 38.14 ATOM 1224 HG2 LYS 78 14.646 -23.249 -31.864 1.00 32.12 ATOM 1225 CD LYS 78 13.404 -24.983 -31.859 1.00 2.50 ATOM 1226 HD1 LYS 78 12.784 -24.429 -32.544 1.00 38.14 ATOM 1227 HD2 LYS 78 12.783 -25.496 -31.136 1.00 74.11 ATOM 1228 CE LYS 78 14.184 -26.023 -32.649 1.00 10.34 ATOM 1229 HE1 LYS 78 13.490 -26.593 -33.238 1.00 38.14 ATOM 1230 HE2 LYS 78 14.697 -26.677 -31.961 1.00 13.34 ATOM 1231 NZ LYS 78 15.180 -25.395 -33.561 1.00 14.12 ATOM 1232 HZ1 LYS 78 15.978 -25.008 -33.017 1.00 34.35 ATOM 1233 HZ2 LYS 78 14.743 -24.626 -34.112 1.00 62.21 ATOM 1234 HZ3 LYS 78 15.547 -26.108 -34.224 1.00 43.33 ATOM 1235 C LYS 78 11.927 -22.129 -31.300 1.00 53.23 ATOM 1236 O LYS 78 12.071 -21.744 -32.462 1.00 24.14 ATOM 1237 N LEU 79 10.806 -22.688 -30.859 1.00 14.25 ATOM 1238 HN LEU 79 10.745 -22.968 -29.916 1.00 38.14 ATOM 1239 CA LEU 79 9.654 -22.886 -31.732 1.00 31.42 ATOM 1240 HA LEU 79 10.006 -23.182 -32.711 1.00 4.03 ATOM 1241 CB LEU 79 8.750 -23.987 -31.174 1.00 70.21 ATOM 1242 HB1 LEU 79 7.951 -24.147 -31.889 1.00 38.14 ATOM 1243 HB2 LEU 79 8.308 -23.638 -30.252 1.00 32.31 ATOM 1244 CG LEU 79 9.420 -25.336 -30.911 1.00 33.42 ATOM 1245 HG LEU 79 10.145 -25.230 -30.122 1.00 11.01 ATOM 1246 CD1 LEU 79 8.391 -26.365 -30.466 1.00 64.04 ATOM 1247 HD11 LEU 79 7.655 -26.508 -31.246 1.00 15.05 ATOM 1248 HD12 LEU 79 7.898 -26.020 -29.568 1.00 24.30 ATOM 1249 HD13 LEU 79 8.883 -27.306 -30.261 1.00 24.53 ATOM 1250 CD2 LEU 79 10.156 -25.818 -32.152 1.00 40.35 ATOM 1251 HD21 LEU 79 10.693 -26.725 -31.919 1.00 13.21 ATOM 1252 HD22 LEU 79 10.850 -25.078 -32.489 1.00 14.20 ATOM 1253 HD23 LEU 79 9.444 -26.020 -32.940 1.00 61.02 ATOM 1254 C LEU 79 8.861 -21.593 -31.890 1.00 0.01 ATOM 1255 O LEU 79 8.419 -21.254 -32.988 1.00 13.13 ATOM 1256 N PHE 80 8.687 -20.873 -30.786 1.00 73.24 ATOM 1257 HN PHE 80 9.054 -21.187 -29.928 1.00 38.14 ATOM 1258 CA PHE 80 7.948 -19.616 -30.803 1.00 3.15 ATOM 1259 HA PHE 80 7.552 -19.440 -31.795 1.00 25.55 ATOM 1260 CB PHE 80 6.762 -19.684 -29.838 1.00 60.25 ATOM 1261 HB1 PHE 80 6.113 -18.841 -30.031 1.00 38.14 ATOM 1262 HB2 PHE 80 7.111 -19.621 -28.817 1.00 30.40 ATOM 1263 CG PHE 80 5.944 -20.936 -29.983 1.00 11.55 ATOM 1264 CD1 PHE 80 5.147 -21.134 -31.099 1.00 3.43 ATOM 1265 HD1 PHE 80 5.116 -20.380 -31.874 1.00 74.15 ATOM 1266 CD2 PHE 80 5.971 -21.913 -29.001 1.00 71.53 ATOM 1267 HD2 PHE 80 6.587 -21.777 -28.141 1.00 52.14 ATOM 1268 CE1 PHE 80 4.393 -22.284 -31.235 1.00 24.24 ATOM 1269 HE1 PHE 80 3.776 -22.426 -32.110 1.00 24.44 ATOM 1270 CE2 PHE 80 5.220 -23.066 -29.132 1.00 34.11 ATOM 1271 HE2 PHE 80 5.249 -23.819 -28.369 1.00 11.41 ATOM 1272 CZ PHE 80 4.429 -23.251 -30.249 1.00 71.22 ATOM 1273 HZ PHE 80 3.843 -24.142 -30.353 1.00 24.04 ATOM 1274 C PHE 80 8.856 -18.447 -30.428 1.00 75.54 ATOM 1275 O PHE 80 8.740 -17.858 -29.353 1.00 61.44 ATOM 1276 N PRO 81 9.781 -18.104 -31.336 1.00 43.41 ATOM 1277 CA PRO 81 10.727 -17.004 -31.125 1.00 12.42 ATOM 1278 HA PRO 81 11.263 -17.115 -30.193 1.00 73.44 ATOM 1279 CB PRO 81 11.702 -17.144 -32.297 1.00 15.43 ATOM 1280 HB1 PRO 81 12.548 -17.739 -31.987 1.00 38.14 ATOM 1281 HB2 PRO 81 12.049 -16.173 -32.630 1.00 31.41 ATOM 1282 CG PRO 81 10.921 -17.839 -33.358 1.00 33.33 ATOM 1283 HG1 PRO 81 11.590 -18.410 -33.985 1.00 38.14 ATOM 1284 HG2 PRO 81 10.378 -17.123 -33.952 1.00 2.43 ATOM 1285 CD PRO 81 9.976 -18.762 -32.639 1.00 12.02 ATOM 1286 HD1 PRO 81 10.442 -19.723 -32.519 1.00 38.14 ATOM 1287 HD2 PRO 81 9.049 -18.848 -33.184 1.00 52.35 ATOM 1288 C PRO 81 10.046 -15.640 -31.158 1.00 40.52 ATOM 1289 O PRO 81 10.280 -14.797 -30.291 1.00 73.22 ATOM 1290 N ASP 82 9.203 -15.429 -32.163 1.00 44.42 ATOM 1291 HN ASP 82 9.013 -16.137 -32.807 1.00 38.14 ATOM 1292 CA ASP 82 8.487 -14.167 -32.308 1.00 41.34 ATOM 1293 HA ASP 82 7.957 -14.204 -33.250 1.00 72.11 ATOM 1294 CB ASP 82 7.488 -13.988 -31.164 1.00 62.00 ATOM 1295 HB1 ASP 82 7.978 -13.544 -30.306 1.00 38.14 ATOM 1296 HB2 ASP 82 7.099 -14.957 -30.880 1.00 12.33 ATOM 1297 CG ASP 82 6.311 -13.115 -31.554 1.00 23.53 ATOM 1298 OD1 ASP 82 6.169 -12.017 -30.976 1.00 24.32 ATOM 1299 OD2 ASP 82 5.533 -13.530 -32.437 1.00 74.32 ATOM 1300 C ASP 82 9.459 -12.991 -32.340 1.00 54.04 ATOM 1301 O ASP 82 9.105 -11.869 -31.976 1.00 4.05 ATOM 1302 N THR 83 10.686 -13.255 -32.778 1.00 73.45 ATOM 1303 HN THR 83 10.916 -14.153 -33.103 1.00 38.14 ATOM 1304 CA THR 83 11.709 -12.221 -32.856 1.00 1.40 ATOM 1305 HA THR 83 11.211 -11.258 -32.879 1.00 41.24 ATOM 1306 CB THR 83 12.652 -12.271 -31.639 1.00 41.11 ATOM 1307 HB THR 83 13.680 -12.150 -31.963 1.00 53.34 ATOM 1308 OG1 THR 83 12.531 -13.535 -30.977 1.00 14.20 ATOM 1309 HG1 THR 83 13.252 -13.648 -30.350 1.00 41.24 ATOM 1310 CG2 THR 83 12.335 -11.149 -30.662 1.00 44.53 ATOM 1311 HG21 THR 83 13.134 -11.070 -29.939 1.00 1.34 ATOM 1312 HG22 THR 83 11.413 -11.375 -30.148 1.00 52.42 ATOM 1313 HG23 THR 83 12.230 -10.209 -31.183 1.00 1.00 ATOM 1314 C THR 83 12.534 -12.358 -34.130 1.00 65.02 ATOM 1315 O THR 83 12.584 -13.418 -34.755 1.00 41.42 ATOM 1316 N PRO 84 13.199 -11.263 -34.526 1.00 45.43 ATOM 1317 CA PRO 84 14.036 -11.237 -35.730 1.00 4.44 ATOM 1318 HA PRO 84 13.491 -11.575 -36.600 1.00 54.02 ATOM 1319 CB PRO 84 14.386 -9.755 -35.887 1.00 13.43 ATOM 1320 HB1 PRO 84 13.665 -9.292 -36.544 1.00 38.14 ATOM 1321 HB2 PRO 84 15.378 -9.623 -36.300 1.00 63.12 ATOM 1322 CG PRO 84 14.282 -9.193 -34.511 1.00 11.12 ATOM 1323 HG1 PRO 84 14.027 -8.145 -34.561 1.00 38.14 ATOM 1324 HG2 PRO 84 15.217 -9.328 -33.987 1.00 4.52 ATOM 1325 CD PRO 84 13.186 -9.965 -33.830 1.00 20.31 ATOM 1326 HD1 PRO 84 12.235 -9.466 -33.948 1.00 38.14 ATOM 1327 HD2 PRO 84 13.434 -10.071 -32.800 1.00 55.21 ATOM 1328 C PRO 84 15.304 -12.069 -35.572 1.00 4.22 ATOM 1329 O PRO 84 16.394 -11.528 -35.380 1.00 64.14 ATOM 1330 N LEU 85 15.156 -13.386 -35.654 1.00 34.33 ATOM 1331 HN LEU 85 14.256 -13.761 -35.809 1.00 38.14 ATOM 1332 CA LEU 85 16.290 -14.294 -35.521 1.00 33.15 ATOM 1333 HA LEU 85 16.988 -14.079 -36.318 1.00 3.51 ATOM 1334 CB LEU 85 16.988 -14.076 -34.177 1.00 41.22 ATOM 1335 HB1 LEU 85 17.709 -13.283 -34.310 1.00 38.14 ATOM 1336 HB2 LEU 85 17.534 -14.972 -33.906 1.00 34.52 ATOM 1337 CG LEU 85 16.084 -13.691 -33.006 1.00 1.44 ATOM 1338 HG LEU 85 15.665 -12.715 -33.173 1.00 35.13 ATOM 1339 CD1 LEU 85 14.933 -14.676 -32.873 1.00 3.11 ATOM 1340 HD11 LEU 85 14.390 -14.476 -31.969 1.00 74.25 ATOM 1341 HD12 LEU 85 15.320 -15.685 -32.832 1.00 73.24 ATOM 1342 HD13 LEU 85 14.270 -14.589 -33.707 1.00 34.54 ATOM 1343 CD2 LEU 85 16.885 -13.626 -31.713 1.00 52.42 ATOM 1344 HD21 LEU 85 17.681 -12.901 -31.816 1.00 11.42 ATOM 1345 HD22 LEU 85 17.310 -14.597 -31.497 1.00 30.43 ATOM 1346 HD23 LEU 85 16.237 -13.329 -30.899 1.00 22.54 ATOM 1347 C LEU 85 15.842 -15.747 -35.643 1.00 53.04 ATOM 1348 O LEU 85 14.649 -16.032 -35.746 1.00 61.51 ATOM 1349 N ALA 86 16.806 -16.661 -35.630 1.00 61.41 ATOM 1350 HN ALA 86 17.747 -16.370 -35.560 1.00 38.14 ATOM 1351 CA ALA 86 16.511 -18.085 -35.736 1.00 14.23 ATOM 1352 HA ALA 86 15.754 -18.326 -34.997 1.00 20.23 ATOM 1353 CB ALA 86 15.937 -18.404 -37.108 1.00 61.42 ATOM 1354 HB1 ALA 86 15.720 -19.462 -37.175 1.00 23.31 ATOM 1355 HB2 ALA 86 16.654 -18.136 -37.871 1.00 21.04 ATOM 1356 HB3 ALA 86 15.028 -17.845 -37.262 1.00 41.03 ATOM 1357 C ALA 86 17.756 -18.925 -35.472 1.00 14.13 ATOM 1358 O ALA 86 18.744 -18.835 -36.201 1.00 41.41 ATOM 1359 N LEU 87 17.702 -19.741 -34.425 1.00 73.11 ATOM 1360 HN LEU 87 16.864 -19.797 -33.914 1.00 38.14 ATOM 1361 CA LEU 87 18.826 -20.598 -34.064 1.00 41.32 ATOM 1362 HA LEU 87 19.700 -19.973 -33.937 1.00 63.02 ATOM 1363 CB LEU 87 18.541 -21.318 -32.745 1.00 41.01 ATOM 1364 HB1 LEU 87 19.476 -21.727 -32.386 1.00 38.14 ATOM 1365 HB2 LEU 87 17.861 -22.140 -32.940 1.00 21.44 ATOM 1366 CG LEU 87 17.931 -20.465 -31.633 1.00 10.44 ATOM 1367 HG LEU 87 16.936 -20.162 -31.917 1.00 52.21 ATOM 1368 CD1 LEU 87 17.815 -21.268 -30.346 1.00 52.15 ATOM 1369 HD11 LEU 87 17.361 -20.658 -29.577 1.00 30.02 ATOM 1370 HD12 LEU 87 18.798 -21.582 -30.021 1.00 21.30 ATOM 1371 HD13 LEU 87 17.199 -22.140 -30.517 1.00 23.31 ATOM 1372 CD2 LEU 87 18.762 -19.210 -31.407 1.00 15.34 ATOM 1373 HD21 LEU 87 19.781 -19.484 -31.172 1.00 64.13 ATOM 1374 HD22 LEU 87 18.347 -18.643 -30.584 1.00 61.21 ATOM 1375 HD23 LEU 87 18.750 -18.597 -32.295 1.00 14.42 ATOM 1376 C LEU 87 19.108 -21.617 -35.163 1.00 24.42 ATOM 1377 O LEU 87 20.255 -22.010 -35.379 1.00 71.41 ATOM 1378 N ASP 88 18.056 -22.040 -35.855 1.00 22.22 ATOM 1379 HN ASP 88 17.155 -21.716 -35.637 1.00 38.14 ATOM 1380 CA ASP 88 18.191 -23.012 -36.934 1.00 10.30 ATOM 1381 HA ASP 88 17.194 -23.302 -37.235 1.00 73.53 ATOM 1382 CB ASP 88 18.920 -22.386 -38.124 1.00 24.31 ATOM 1383 HB1 ASP 88 19.984 -22.350 -37.929 1.00 38.14 ATOM 1384 HB2 ASP 88 18.556 -21.378 -38.269 1.00 12.52 ATOM 1385 CG ASP 88 18.692 -23.154 -39.411 1.00 43.23 ATOM 1386 OD1 ASP 88 18.181 -24.291 -39.341 1.00 43.20 ATOM 1387 OD2 ASP 88 19.026 -22.618 -40.489 1.00 53.31 ATOM 1388 C ASP 88 18.940 -24.253 -36.458 1.00 15.34 ATOM 1389 O ASP 88 19.798 -24.781 -37.164 1.00 35.21 ATOM 1390 N ALA 89 18.609 -24.711 -35.255 1.00 21.51 ATOM 1391 HN ALA 89 17.895 -24.262 -34.742 1.00 38.14 ATOM 1392 CA ALA 89 19.249 -25.890 -34.685 1.00 23.34 ATOM 1393 HA ALA 89 20.310 -25.845 -34.915 1.00 14.44 ATOM 1394 CB ALA 89 19.112 -25.884 -33.169 1.00 64.13 ATOM 1395 HB1 ALA 89 19.639 -26.731 -32.752 1.00 61.24 ATOM 1396 HB2 ALA 89 18.067 -25.940 -32.897 1.00 35.25 ATOM 1397 HB3 ALA 89 19.535 -24.971 -32.776 1.00 62.20 ATOM 1398 C ALA 89 18.659 -27.171 -35.266 1.00 2.33 ATOM 1399 O ALA 89 17.448 -27.382 -35.224 1.00 10.33 ATOM 1400 N ASN 90 19.524 -28.022 -35.808 1.00 74.05 ATOM 1401 HN ASN 90 20.485 -27.807 -35.815 1.00 38.14 ATOM 1402 CA ASN 90 19.087 -29.282 -36.400 1.00 11.34 ATOM 1403 HA ASN 90 18.020 -29.398 -36.257 1.00 31.44 ATOM 1404 CB ASN 90 19.375 -29.291 -37.902 1.00 52.23 ATOM 1405 HB1 ASN 90 18.827 -28.484 -38.368 1.00 38.14 ATOM 1406 HB2 ASN 90 19.042 -30.230 -38.325 1.00 15.24 ATOM 1407 CG ASN 90 20.851 -29.126 -38.209 1.00 72.42 ATOM 1408 OD1 ASN 90 21.638 -30.059 -38.045 1.00 52.24 ATOM 1409 ND2 ASN 90 21.233 -27.936 -38.657 1.00 31.01 ATOM 1410 HD21 ASN 90 20.561 -27.226 -38.769 1.00 32.14 ATOM 1411 HD22 ASN 90 22.183 -27.811 -38.861 1.00 24.42 ATOM 1412 C ASN 90 19.779 -30.465 -35.731 1.00 22.43 ATOM 1413 O ASN 90 20.672 -30.289 -34.901 1.00 70.43 ATOM 1414 N LYS 91 19.362 -31.672 -36.097 1.00 73.35 ATOM 1415 HN LYS 91 18.656 -31.756 -36.777 1.00 38.14 ATOM 1416 HA LYS 91 20.868 -32.641 -35.030 1.00 32.02 ATOM 1417 CB LYS 91 18.983 -33.511 -34.519 1.00 72.15 ATOM 1418 HB1 LYS 91 18.830 -32.810 -33.709 1.00 38.14 ATOM 1419 HB2 LYS 91 19.439 -34.407 -34.116 1.00 70.53 ATOM 1420 CG LYS 91 17.636 -33.892 -35.109 1.00 14.14 ATOM 1421 HG1 LYS 91 17.244 -34.717 -34.529 1.00 38.14 ATOM 1422 HG2 LYS 91 17.737 -34.203 -36.136 1.00 14.35 ATOM 1423 CD LYS 91 16.651 -32.736 -35.042 1.00 63.22 ATOM 1424 HD1 LYS 91 16.878 -32.026 -35.816 1.00 38.14 ATOM 1425 HD2 LYS 91 16.722 -32.253 -34.077 1.00 33.21 ATOM 1426 CE LYS 91 15.219 -33.212 -35.234 1.00 44.11 ATOM 1427 HE1 LYS 91 14.555 -32.373 -35.088 1.00 38.14 ATOM 1428 HE2 LYS 91 14.997 -33.975 -34.501 1.00 50.21 ATOM 1429 NZ LYS 91 14.998 -33.769 -36.597 1.00 61.12 ATOM 1430 HZ1 LYS 91 15.579 -34.620 -36.741 1.00 44.22 ATOM 1431 HZ2 LYS 91 15.247 -33.065 -37.323 1.00 62.02 ATOM 1432 HZ3 LYS 91 13.997 -34.026 -36.715 1.00 51.10 ATOM 1433 CA LYS 91 19.942 -32.886 -35.536 1.00 35.43 ATOM 1434 C LYS 91 20.263 -33.895 -36.634 1.00 55.22 ATOM 1435 OT1 LYS 91 19.560 -33.914 -37.672 1.00 38.14 ATOM 1436 OT2 LYS 91 21.226 -34.669 -36.449 1.00 38.14 ATOM 1437 OH2 TIP3 1 0.651 -36.340 -34.681 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 0.602 -37.295 -34.718 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 -0.175 -36.072 -34.279 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -2.067 -32.472 -33.574 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -1.867 -32.048 -34.409 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 -1.411 -32.129 -32.967 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 0.362 -33.810 -39.698 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 0.340 -33.625 -38.759 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 1.052 -33.241 -40.039 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -0.075 -34.243 -36.776 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 -0.562 -34.978 -37.147 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 0.474 -34.636 -36.098 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -1.624 -38.453 -32.138 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -2.490 -38.558 -31.744 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -1.248 -37.694 -31.691 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -1.702 -35.189 -33.968 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -2.484 -35.375 -34.488 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -1.774 -34.260 -33.751 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -3.513 -39.109 -23.361 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -3.954 -39.829 -22.911 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -3.526 -38.388 -22.731 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -6.402 -34.004 -23.149 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -5.782 -34.681 -23.422 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -6.610 -34.222 -22.241 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 -3.001 -37.269 -21.013 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 -3.943 -37.211 -20.852 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 -2.725 -36.363 -21.150 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -4.749 -35.488 -24.388 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -4.324 -36.195 -24.873 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -4.432 -34.687 -24.805 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -3.590 -37.587 -25.879 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -3.847 -38.277 -26.491 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -3.519 -38.030 -25.034 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -0.062 -42.681 -19.336 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -0.714 -41.986 -19.247 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 0.403 -42.471 -20.146 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -7.428 -35.950 -25.558 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -6.954 -35.655 -24.780 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -7.991 -35.212 -25.791 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -0.266 -36.571 -30.803 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -0.193 -35.632 -30.633 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 0.639 -36.876 -30.860 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 0.651 -36.340 -15.825 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 0.602 -37.295 -15.862 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -0.175 -36.072 -15.423 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -4.854 -33.840 -30.140 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -4.479 -34.584 -30.611 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -4.850 -34.110 -29.222 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -5.185 -33.914 -27.391 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -6.120 -33.814 -27.212 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -4.905 -34.623 -26.813 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 -2.067 -32.472 -14.718 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -1.867 -32.048 -15.553 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 -1.411 -32.129 -14.111 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 0.196 -39.299 -15.882 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -0.656 -39.061 -16.249 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 0.786 -39.316 -16.635 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -11.658 -34.492 -25.978 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -12.608 -34.387 -25.926 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -11.307 -33.672 -25.633 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 -4.080 -38.337 -30.433 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 -3.727 -38.717 -29.629 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 -5.029 -38.430 -30.347 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 -3.214 -39.664 -28.207 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 -3.491 -40.392 -27.651 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 -2.287 -39.545 -28.001 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -8.314 -35.957 -28.781 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -9.131 -35.460 -28.728 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -7.785 -35.482 -29.421 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -10.976 -34.914 -28.799 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -10.815 -34.114 -29.300 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 -11.173 -34.607 -27.914 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -2.354 -34.460 -21.071 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -2.510 -33.782 -21.728 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -1.422 -34.388 -20.868 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -7.951 -35.362 -31.848 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -8.595 -35.993 -31.526 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -7.189 -35.893 -32.080 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -3.347 -35.545 -31.614 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -3.064 -36.339 -31.161 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -2.607 -35.312 -32.175 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -10.274 -32.729 -30.187 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -9.341 -32.571 -30.043 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -10.538 -32.054 -30.812 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -0.075 -34.243 -17.920 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -0.562 -34.978 -18.291 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 0.474 -34.636 -17.242 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -0.323 -40.196 -27.768 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 0.527 -39.775 -27.640 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -0.318 -40.936 -27.160 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 0.071 -42.143 -25.944 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 -0.655 -42.622 -25.546 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 0.652 -41.937 -25.212 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 -0.170 -39.358 -20.996 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 0.664 -39.736 -21.277 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 -0.058 -38.415 -21.115 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -1.683 -36.480 -18.689 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -2.331 -36.155 -18.064 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -2.201 -36.920 -19.364 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -7.981 -33.072 -20.215 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -8.438 -32.543 -20.869 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -7.818 -32.469 -19.490 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -5.654 -34.194 -19.270 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -6.558 -34.029 -19.536 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -5.225 -33.341 -19.336 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -3.049 -32.624 -18.975 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -3.231 -31.708 -19.186 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -2.873 -33.034 -19.822 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -11.066 -34.757 -22.007 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -10.853 -35.645 -22.294 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -11.001 -34.791 -21.052 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -7.629 -33.503 -29.942 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -6.763 -33.137 -30.120 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -7.876 -33.943 -30.755 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 0.424 -33.857 -11.376 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 1.167 -33.271 -11.516 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -0.271 -33.289 -11.043 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 -0.167 -29.158 -39.252 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -0.118 -28.548 -38.516 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 0.259 -28.697 -39.975 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 0.225 -27.680 -37.016 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 -0.464 -27.022 -37.111 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 0.240 -27.877 -36.079 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 -2.701 -30.127 -38.452 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 -3.437 -29.516 -38.490 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 -2.017 -29.712 -38.978 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 -0.062 -23.825 -38.192 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -0.714 -23.130 -38.103 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 0.403 -23.615 -39.002 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 0.651 -17.484 -34.681 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 0.602 -18.439 -34.718 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 -0.175 -17.216 -34.279 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 -2.197 -25.991 -34.201 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 -2.604 -25.510 -34.921 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 -2.156 -26.896 -34.508 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 -7.703 -25.359 -33.896 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 -8.266 -26.063 -33.576 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 -6.877 -25.479 -33.429 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 -2.067 -13.616 -33.574 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 -1.867 -13.192 -34.409 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 -1.411 -13.273 -32.967 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 0.196 -20.443 -34.738 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 -0.656 -20.205 -35.105 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 0.786 -20.460 -35.491 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -2.043 -28.611 -35.645 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -2.959 -28.348 -35.733 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -1.707 -28.614 -36.542 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -6.934 -22.443 -32.673 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -5.981 -22.359 -32.701 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -7.094 -23.154 -32.054 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -5.204 -25.935 -32.108 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -5.012 -26.866 -32.219 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -4.347 -25.510 -32.118 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -3.888 -23.146 -34.030 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -4.169 -22.437 -34.608 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -2.945 -23.219 -34.181 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 -9.132 -27.411 -33.381 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 -9.368 -27.631 -32.479 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 -9.915 -27.618 -33.890 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 -6.416 -28.284 -34.305 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 -7.364 -28.252 -34.173 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 -6.104 -28.909 -33.651 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 -4.782 -29.650 -32.300 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 -4.879 -30.602 -32.306 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 -5.104 -29.381 -31.439 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -9.821 -30.756 -32.219 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -9.952 -31.232 -33.040 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -10.420 -30.012 -32.275 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 -0.075 -15.387 -36.776 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 -0.562 -16.122 -37.147 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 0.474 -15.780 -36.098 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -1.624 -19.597 -32.138 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -2.490 -19.702 -31.744 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -1.248 -18.838 -31.691 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 -1.286 -22.796 -34.598 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 -0.703 -23.530 -34.407 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 -0.722 -22.024 -34.552 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 0.211 -24.893 -33.914 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 -0.652 -25.272 -34.079 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 0.815 -25.632 -33.988 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 -1.791 -25.865 -37.563 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -2.634 -25.597 -37.197 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -1.348 -25.043 -37.774 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -0.987 -31.686 -36.041 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -1.800 -31.361 -36.429 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -0.754 -32.446 -36.574 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 -4.878 -32.406 -32.661 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 -4.802 -32.832 -31.807 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 -3.985 -32.392 -33.003 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -1.702 -16.333 -33.968 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 -2.484 -16.519 -34.488 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -1.774 -15.404 -33.751 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 -6.402 -15.148 -23.149 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 -5.782 -15.825 -23.422 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 -6.610 -15.366 -22.241 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -8.830 -20.759 -21.257 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -8.526 -21.445 -21.851 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -8.108 -20.641 -20.639 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -5.689 -26.365 -20.929 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -5.546 -27.312 -20.909 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -5.795 -26.158 -21.858 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -12.534 -28.264 -23.657 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -12.491 -27.404 -24.075 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -12.992 -28.816 -24.290 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -10.758 -24.317 -23.679 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -10.142 -24.843 -23.170 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -11.344 -24.957 -24.083 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -6.355 -19.846 -26.039 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -6.651 -20.168 -26.890 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -6.679 -18.946 -25.997 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -11.155 -21.670 -19.295 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -11.895 -21.072 -19.192 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -10.441 -21.116 -19.611 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -9.698 -32.040 -22.130 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -9.815 -32.989 -22.184 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -10.553 -31.708 -21.857 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -4.749 -16.632 -24.388 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -4.324 -17.339 -24.873 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -4.432 -15.831 -24.805 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -3.590 -18.731 -25.879 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -3.847 -19.421 -26.491 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -3.519 -19.174 -25.034 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -7.431 -23.203 -27.630 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -8.143 -22.668 -27.981 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -6.740 -23.147 -28.290 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -7.377 -24.745 -30.591 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -6.676 -24.723 -29.940 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -7.075 -25.373 -31.247 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -4.128 -24.819 -17.610 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -4.048 -24.056 -17.038 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -4.729 -24.540 -18.301 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -12.380 -22.363 -24.795 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -12.710 -22.733 -25.614 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -11.792 -23.033 -24.449 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -11.013 -18.935 -22.114 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -11.108 -19.513 -22.871 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -10.284 -19.306 -21.618 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -12.013 -23.594 -21.162 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -11.448 -23.473 -21.925 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -11.694 -22.957 -20.523 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -7.428 -17.094 -25.558 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -6.954 -16.799 -24.780 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -7.991 -16.356 -25.791 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -0.266 -17.715 -30.803 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -0.193 -16.776 -30.633 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 0.639 -18.020 -30.860 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -8.370 -17.910 -16.949 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -8.283 -17.084 -16.474 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -9.234 -18.240 -16.700 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -2.197 -25.991 -15.345 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -2.604 -25.510 -16.065 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -2.156 -26.896 -15.652 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -12.429 -31.137 -21.352 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -13.290 -31.224 -21.760 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -12.451 -30.281 -20.925 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -4.440 -27.659 -17.124 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -4.954 -27.785 -16.327 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -4.595 -26.747 -17.369 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -3.677 -22.798 -31.363 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -3.635 -23.021 -32.293 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -2.828 -22.400 -31.173 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -8.104 -28.922 -30.693 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -8.358 -28.903 -29.770 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -8.361 -29.794 -30.994 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -12.341 -25.950 -25.345 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -13.234 -26.291 -25.404 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -11.890 -26.327 -26.101 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -11.222 -28.477 -31.592 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -11.653 -28.922 -30.862 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -11.940 -28.105 -32.104 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -6.537 -24.450 -19.043 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -6.213 -25.081 -19.686 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -6.977 -24.985 -18.382 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -11.278 -26.894 -27.776 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -10.346 -26.765 -27.598 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -11.493 -26.224 -28.425 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -5.354 -29.288 -20.995 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -6.031 -29.157 -20.331 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -5.840 -29.443 -21.805 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -12.604 -25.699 -30.209 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -13.146 -26.079 -30.900 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -11.770 -25.505 -30.638 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -8.439 -25.735 -22.372 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -7.875 -26.282 -22.919 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -8.587 -26.257 -21.583 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -13.437 -29.599 -25.954 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -13.754 -30.501 -25.989 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -12.656 -29.597 -26.506 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -9.813 -27.347 -19.958 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -10.648 -26.893 -19.848 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -9.289 -27.071 -19.206 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -9.269 -21.134 -28.273 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -10.013 -21.641 -28.596 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -9.403 -21.085 -27.327 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -7.749 -20.950 -17.036 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -8.095 -21.331 -16.230 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -7.949 -20.016 -16.965 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -7.143 -19.675 -29.248 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -7.438 -18.849 -28.866 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -7.846 -20.295 -29.052 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -5.499 -18.488 -17.086 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -6.400 -18.305 -17.354 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -5.465 -18.229 -16.165 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -1.472 -17.457 -28.254 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -1.845 -18.283 -27.944 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -1.195 -17.640 -29.151 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -10.342 -20.658 -25.523 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -10.583 -19.733 -25.481 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -11.082 -21.117 -25.127 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -9.827 -16.509 -19.208 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -9.464 -15.654 -19.441 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -9.295 -16.801 -18.467 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -4.080 -19.481 -30.433 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -3.727 -19.861 -29.629 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -5.029 -19.574 -30.347 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 0.424 -15.001 -30.232 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 1.167 -14.415 -30.372 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -0.271 -14.433 -29.899 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -6.767 -28.884 -18.741 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -6.069 -28.810 -18.091 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -7.148 -29.748 -18.586 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -8.247 -26.518 -17.624 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -8.128 -25.944 -16.867 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -7.592 -27.206 -17.509 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -12.242 -29.360 -29.183 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -12.325 -28.471 -28.837 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -11.352 -29.625 -28.952 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -2.043 -28.611 -16.789 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -2.959 -28.348 -16.877 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -1.707 -28.614 -17.686 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -5.466 -17.634 -14.494 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -5.817 -18.490 -14.251 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -4.740 -17.491 -13.887 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -3.347 -16.689 -31.614 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -3.064 -17.483 -31.161 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -2.607 -16.456 -32.175 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -4.343 -21.237 -17.073 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -3.598 -20.649 -17.193 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -5.100 -20.655 -17.010 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -11.243 -22.807 -29.451 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -11.702 -23.291 -28.765 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -10.988 -23.475 -30.087 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -10.172 -24.564 -31.188 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -10.352 -24.718 -32.116 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -9.221 -24.456 -31.144 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -6.934 -22.443 -13.817 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -5.981 -22.359 -13.845 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -7.094 -23.154 -13.198 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -9.620 -23.750 -18.280 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -8.869 -23.906 -18.853 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -9.959 -22.898 -18.556 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -5.204 -25.935 -13.252 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -5.012 -26.866 -13.363 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -4.347 -25.510 -13.262 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -2.064 -28.738 -31.885 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -1.454 -29.110 -31.248 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -2.901 -29.160 -31.689 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 0.492 -31.885 -13.353 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 0.842 -32.539 -13.959 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 0.639 -31.048 -13.793 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 0.012 -29.776 -15.004 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -0.905 -29.505 -15.040 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 0.135 -30.311 -15.788 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -2.900 -14.864 -25.270 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -2.247 -15.211 -25.878 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -2.389 -14.375 -24.624 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -8.250 -15.561 -15.509 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -8.065 -15.895 -14.631 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -7.403 -15.252 -15.831 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -0.987 -31.686 -17.185 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -1.800 -31.361 -17.573 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -0.754 -32.446 -17.718 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -7.981 -14.216 -20.215 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -8.438 -13.687 -20.869 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -7.818 -13.613 -19.490 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -2.415 -32.130 -22.750 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -1.811 -31.582 -23.251 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -3.284 -31.810 -22.990 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -10.651 -31.676 -25.227 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -9.777 -31.288 -25.257 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -10.787 -31.891 -24.304 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -0.920 -15.084 -27.262 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -1.114 -15.832 -27.827 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -0.959 -14.326 -27.846 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -3.001 -18.413 -2.157 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -3.943 -18.355 -1.996 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -2.725 -17.507 -2.294 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -1.904 -20.165 1.454 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -1.764 -20.756 0.715 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -1.736 -19.292 1.098 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -0.062 -23.825 -0.480 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -0.714 -23.130 -0.391 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 0.403 -23.615 -1.290 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -5.704 -18.091 -1.572 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -5.945 -17.429 -0.924 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -5.902 -18.925 -1.147 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -5.154 -23.831 -10.137 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -4.575 -23.681 -9.390 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -4.740 -23.360 -10.860 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -0.266 -17.715 -11.947 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -0.193 -16.776 -11.777 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 0.639 -18.020 -12.004 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -4.854 -14.984 -11.284 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -4.479 -15.728 -11.755 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -4.850 -15.254 -10.366 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -3.677 -22.798 -12.507 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -3.635 -23.021 -13.437 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -2.828 -22.400 -12.317 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -2.119 -22.001 -0.631 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -1.477 -21.544 -1.174 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -2.949 -21.888 -1.093 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -5.499 -18.488 1.770 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -6.400 -18.305 1.502 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -5.465 -18.229 2.691 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 0.232 -26.243 -9.863 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -0.322 -26.639 -10.535 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 0.333 -25.333 -10.140 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 0.196 -20.443 2.974 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -0.656 -20.205 2.607 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 0.786 -20.460 2.221 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -1.472 -17.457 -9.398 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -1.845 -18.283 -9.088 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -1.195 -17.640 -10.295 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -4.080 -19.481 -11.577 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -3.727 -19.861 -10.773 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -5.029 -19.574 -11.491 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -3.624 -15.858 1.818 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -4.226 -16.413 1.323 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -3.343 -15.191 1.192 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -3.214 -20.808 -9.351 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -3.491 -21.536 -8.795 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -2.287 -20.689 -9.145 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -2.354 -15.604 -2.215 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -2.510 -14.926 -2.872 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -1.422 -15.532 -2.012 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -7.951 -16.506 -12.992 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -8.595 -17.137 -12.670 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -7.189 -17.037 -13.224 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -5.466 -17.634 4.362 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -5.817 -18.490 4.605 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -4.740 -17.491 4.969 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -3.347 -16.689 -12.758 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -3.064 -17.483 -12.305 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -2.607 -16.456 -13.319 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -7.040 -19.732 -13.165 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -7.308 -19.552 -12.264 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -7.246 -20.658 -13.296 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -4.343 -21.237 1.783 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -3.598 -20.649 1.663 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -5.100 -20.655 1.846 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -1.624 -19.597 5.574 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -2.490 -19.702 5.968 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -1.248 -18.838 6.021 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -0.323 -21.340 -8.912 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 0.527 -20.919 -8.784 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -0.318 -22.080 -8.304 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 0.071 -23.287 -7.088 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -0.655 -23.766 -6.690 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 0.652 -23.081 -6.356 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 -0.170 -20.502 -2.140 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 0.664 -20.880 -2.421 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 -0.058 -19.559 -2.259 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 0.339 -23.386 -10.697 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -0.182 -23.029 -11.416 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 0.306 -22.711 -10.019 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -1.312 -26.146 -12.146 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -1.215 -25.479 -12.826 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -1.452 -26.962 -12.628 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -2.142 -24.766 -6.525 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 -2.292 -25.711 -6.545 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -2.496 -24.485 -5.681 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -1.286 -22.796 3.114 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -0.703 -23.530 3.305 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -0.722 -22.024 3.160 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -2.064 -28.738 -13.029 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -1.454 -29.110 -12.392 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -2.901 -29.160 -12.833 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 0.048 -29.853 -11.486 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 0.461 -30.574 -11.962 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 0.730 -29.183 -11.428 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -5.905 -14.276 2.591 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -5.228 -14.908 2.351 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -5.583 -13.874 3.399 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -5.654 -15.338 -0.414 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -6.558 -15.173 -0.680 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -5.225 -14.485 -0.480 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -3.049 -13.768 -0.119 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -3.231 -12.852 -0.330 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -2.873 -14.178 -0.966 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -0.920 -15.084 -8.406 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -1.114 -15.832 -8.971 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -0.959 -14.326 -8.990 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -0.266 -17.715 6.909 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -0.193 -16.776 7.079 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 0.639 -18.020 6.852 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -4.854 -14.984 7.572 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -4.479 -15.728 7.101 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -4.850 -15.254 8.490 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 0.424 -15.001 7.480 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 1.167 -14.415 7.340 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -0.271 -14.433 7.813 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -3.347 -16.689 6.098 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -3.064 -17.483 6.551 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -2.607 -16.456 5.537 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -0.782 -22.209 5.969 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -1.055 -22.634 5.156 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -0.742 -21.278 5.752 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 -0.920 -15.084 10.450 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 -1.114 -15.832 9.885 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 -0.959 -14.326 9.866 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 0.492 -13.029 -32.209 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 0.842 -13.683 -32.815 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 0.639 -12.192 -32.649 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 0.012 -10.920 -33.860 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 -0.905 -10.649 -33.896 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 0.135 -11.455 -34.644 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 -0.987 -12.830 -36.041 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 -1.800 -12.505 -36.429 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 -0.754 -13.590 -36.574 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -0.167 -10.302 -20.396 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -0.118 -9.692 -19.660 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 0.259 -9.841 -21.119 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 0.225 -8.824 -18.160 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -0.464 -8.166 -18.255 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 0.240 -9.021 -17.223 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -3.048 -9.986 -23.275 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -3.263 -10.752 -22.743 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -2.392 -9.514 -22.762 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -9.698 -13.184 -22.130 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -9.815 -14.133 -22.184 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -10.553 -12.852 -21.857 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -0.062 -4.969 -19.336 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -0.714 -4.274 -19.247 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 0.403 -4.759 -20.146 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 -1.456 -13.225 -29.180 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -2.355 -13.086 -28.885 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 -1.204 -12.394 -29.582 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -2.197 -7.135 -15.345 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -2.604 -6.654 -16.065 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -2.156 -8.040 -15.652 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -7.766 -12.559 -17.978 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -7.346 -12.974 -17.225 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -8.699 -12.737 -17.861 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -4.440 -8.803 -17.124 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -4.954 -8.929 -16.327 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -4.595 -7.891 -17.369 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -5.354 -10.432 -20.995 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 -6.031 -10.301 -20.331 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 -5.840 -10.587 -21.805 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 0.232 -7.387 -28.719 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 -0.322 -7.783 -29.391 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 0.333 -6.477 -28.996 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -6.767 -10.028 -18.741 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -6.069 -9.954 -18.091 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -7.148 -10.892 -18.586 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -2.043 -9.755 -16.789 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -2.959 -9.492 -16.877 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -1.707 -9.758 -17.686 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 -10.396 -12.877 -18.088 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 -10.494 -11.930 -18.194 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 -11.139 -13.249 -18.564 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 -6.416 -9.428 -15.449 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 -7.364 -9.396 -15.317 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 -6.104 -10.053 -14.795 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 -4.782 -10.794 -13.444 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 -4.879 -11.746 -13.450 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 -5.104 -10.525 -12.583 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 0.211 -6.037 -15.058 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 -0.652 -6.416 -15.223 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 0.815 -6.776 -15.132 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 -2.432 -8.327 -26.919 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 -2.152 -9.234 -26.794 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 -1.673 -7.893 -27.308 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 -1.820 -7.746 -21.483 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 -0.887 -7.534 -21.517 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 -2.055 -7.644 -20.560 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 -1.791 -7.009 -18.707 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 -2.634 -6.741 -18.341 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 -1.348 -6.187 -18.918 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 -1.818 -11.064 -26.870 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 -1.636 -11.513 -26.045 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 -2.418 -11.649 -27.334 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 0.012 -10.920 -15.004 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 -0.905 -10.649 -15.040 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 0.135 -11.455 -15.788 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 0.048 -10.997 -30.342 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 0.461 -11.718 -30.818 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 0.730 -10.327 -30.284 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 -7.557 -11.381 -22.862 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 -8.232 -12.010 -22.607 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 -6.993 -11.865 -23.465 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -2.415 -13.274 -22.750 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -1.811 -12.726 -23.251 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -3.284 -12.954 -22.990 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -5.094 -12.790 -23.578 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -5.018 -12.695 -24.527 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -5.370 -13.698 -23.449 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -3.741 -12.764 -27.885 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -4.444 -12.150 -28.095 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -4.186 -13.602 -27.754 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -4.878 -13.550 -13.805 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -4.802 -13.976 -12.951 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -3.985 -13.536 -14.147 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 -3.048 -9.986 -4.419 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 -3.263 -10.752 -3.887 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 -2.392 -9.514 -3.906 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 -2.701 -11.271 -0.740 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 -3.437 -10.660 -0.778 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 -2.017 -10.856 -1.266 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 -1.904 -1.309 1.454 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 -1.764 -1.900 0.715 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 -1.736 -0.436 1.098 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 -4.128 -5.963 1.246 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 -4.048 -5.200 1.818 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 -4.729 -5.684 0.555 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 -1.456 -13.225 -10.324 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 -2.355 -13.086 -10.029 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 -1.204 -12.394 -10.726 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 -2.197 -7.135 3.511 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 -2.604 -6.654 2.791 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 -2.156 -8.040 3.204 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 -4.440 -8.803 1.732 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 -4.954 -8.929 2.529 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 -4.595 -7.891 1.487 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 -2.119 -3.145 -0.631 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 -1.477 -2.688 -1.174 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 -2.949 -3.032 -1.093 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 0.232 -7.387 -9.863 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 -0.322 -7.783 -10.535 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 0.333 -6.477 -10.140 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 0.196 -1.587 2.974 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 -0.656 -1.349 2.607 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 0.786 -1.604 2.221 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 -4.312 -3.793 -2.376 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 -5.240 -4.025 -2.403 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 -3.861 -4.570 -2.706 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 -2.043 -9.755 2.067 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 -2.959 -9.492 1.979 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 -1.707 -9.758 1.170 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 -3.441 -6.004 -3.837 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 -4.238 -6.419 -4.166 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 -2.996 -6.695 -3.346 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 -4.782 -10.794 5.412 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 -4.879 -11.746 5.406 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 -5.104 -10.525 6.273 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 0.071 -4.431 -7.088 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 -0.655 -4.910 -6.690 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 0.652 -4.225 -6.356 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 -0.170 -1.646 -2.140 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 0.664 -2.024 -2.421 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 -0.058 -0.703 -2.259 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 0.339 -4.530 -10.697 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 -0.182 -4.173 -11.416 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 0.306 -3.855 -10.019 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 -1.312 -7.290 -12.146 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 -1.215 -6.623 -12.826 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 -1.452 -8.106 -12.628 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 -2.142 -5.910 -6.525 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 -2.292 -6.855 -6.545 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 -2.496 -5.629 -5.681 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 -1.286 -3.940 3.114 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 -0.703 -4.674 3.305 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 -0.722 -3.168 3.160 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 0.211 -6.037 3.798 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 -0.652 -6.416 3.633 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 0.815 -6.776 3.724 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 -2.064 -9.882 -13.029 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 -1.454 -10.254 -12.392 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 -2.901 -10.304 -12.833 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 -1.820 -7.746 -2.627 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 -0.887 -7.534 -2.661 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 -2.055 -7.644 -1.704 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 -1.791 -7.009 0.149 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 -2.634 -6.741 0.515 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 -1.348 -6.187 -0.062 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 0.048 -10.997 -11.486 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 0.461 -11.718 -11.962 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 0.730 -10.327 -11.428 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -2.415 -13.274 -3.894 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -1.811 -12.726 -4.395 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -3.284 -12.954 -4.134 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 -0.688 -12.135 -5.560 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 -0.076 -12.649 -6.087 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 -0.305 -11.257 -5.537 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 -4.878 -13.550 5.051 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 -4.802 -13.976 5.905 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 -3.985 -13.536 4.709 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 -1.456 -13.225 8.532 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 -2.355 -13.086 8.827 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 -1.204 -12.394 8.130 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 -1.312 -7.290 6.710 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 -1.215 -6.623 6.030 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 -1.452 -8.106 6.228 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 -2.064 -9.882 5.827 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 -1.454 -10.254 6.464 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 -2.901 -10.304 6.023 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 0.048 -10.997 7.370 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 0.461 -11.718 6.894 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 0.730 -10.327 7.428 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 15.343 -39.109 -42.217 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 14.902 -39.829 -41.767 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 15.330 -38.388 -41.587 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 12.454 -34.004 -42.005 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 13.074 -34.681 -42.278 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 12.246 -34.222 -41.097 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 6.109 -38.562 -37.364 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 6.103 -37.683 -37.742 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 5.255 -38.645 -36.939 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 15.855 -37.269 -39.869 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 14.913 -37.211 -39.708 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 16.131 -36.363 -40.006 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 14.107 -35.488 -43.244 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 14.532 -36.195 -43.729 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 14.424 -34.687 -43.661 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 16.952 -39.021 -36.258 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 17.092 -39.612 -36.997 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 17.120 -38.148 -36.614 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 13.152 -36.947 -39.284 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 12.911 -36.285 -38.636 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 12.954 -37.781 -38.859 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 7.723 -38.051 -35.301 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 7.411 -37.269 -34.845 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 7.073 -38.204 -35.987 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 10.486 -36.766 -35.805 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 10.573 -35.940 -35.330 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 9.622 -37.096 -35.556 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 3.808 -38.463 -36.204 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 4.025 -38.824 -35.344 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 2.953 -38.837 -36.414 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 11.153 -44.215 -33.896 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 10.590 -44.919 -33.576 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 11.979 -44.335 -33.429 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 4.387 -39.998 -33.966 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 5.120 -39.744 -33.405 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 3.607 -39.794 -33.451 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 16.737 -40.857 -38.343 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 17.379 -40.400 -38.886 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 15.907 -40.744 -38.805 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 11.107 -39.806 -35.892 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 10.761 -40.187 -35.086 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 10.907 -38.872 -35.821 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 8.737 -42.717 -33.832 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 8.441 -42.883 -34.727 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 9.668 -42.937 -33.842 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 19.052 -39.299 -34.738 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 18.200 -39.061 -35.105 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 19.642 -39.316 -35.491 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 9.029 -35.365 -38.064 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 9.392 -34.510 -38.297 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 9.561 -35.657 -37.323 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 12.573 -39.266 -38.363 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 12.147 -39.493 -37.537 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 13.154 -40.004 -38.546 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 3.005 -35.676 -38.052 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 3.222 -36.608 -38.083 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 3.252 -35.402 -37.168 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 2.123 -39.979 -32.745 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 2.267 -40.881 -33.031 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 1.350 -39.693 -33.233 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 8.778 -40.009 -33.312 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 8.450 -39.738 -34.170 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 8.930 -40.950 -33.400 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 14.513 -40.093 -35.929 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 15.258 -39.505 -36.049 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 13.756 -39.511 -35.866 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 11.922 -41.299 -32.673 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 12.875 -41.215 -32.701 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 11.762 -42.010 -32.054 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 13.652 -44.791 -32.108 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 13.844 -45.722 -32.219 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 14.509 -44.366 -32.118 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 14.968 -42.002 -34.030 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 14.687 -41.293 -34.608 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 15.911 -42.075 -34.181 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 17.232 -38.453 -32.138 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 16.366 -38.558 -31.744 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 17.608 -37.694 -31.691 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 18.686 -39.358 -39.852 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 19.520 -39.736 -40.133 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 18.798 -38.415 -39.971 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 17.570 -41.652 -34.598 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 18.153 -42.386 -34.407 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 18.134 -40.880 -34.552 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 15.956 -33.720 -44.126 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 16.609 -34.067 -44.734 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 16.467 -33.231 -43.480 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 3.341 -36.791 -33.583 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 2.520 -36.616 -34.043 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 3.089 -36.864 -32.662 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 6.295 -35.816 -37.324 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 5.870 -35.007 -37.607 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 7.200 -35.731 -37.626 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 6.164 -32.960 -38.247 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 5.299 -32.888 -37.843 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 6.109 -32.413 -39.031 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 10.875 -33.072 -39.071 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 10.418 -32.543 -39.725 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 11.038 -32.469 -38.346 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 3.112 -33.937 -40.366 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 3.093 -34.362 -39.509 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 3.917 -34.255 -40.775 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 7.790 -34.757 -40.863 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 8.003 -35.645 -41.150 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 7.855 -34.791 -39.908 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 12.704 -41.303 -25.082 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 12.793 -40.359 -25.214 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 12.065 -41.578 -25.740 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 1.539 -44.323 -26.142 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 1.091 -43.477 -26.160 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 0.978 -44.903 -26.657 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 2.249 -42.161 -24.016 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 2.463 -42.931 -23.489 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 2.987 -42.072 -24.619 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 13.167 -45.221 -20.929 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 13.310 -46.168 -20.909 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 13.061 -45.014 -21.858 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 6.322 -47.120 -23.657 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 6.365 -46.260 -24.075 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 5.864 -47.672 -24.290 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 2.942 -44.723 -22.895 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 3.596 -45.273 -22.463 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 2.966 -44.997 -23.811 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 4.726 -46.310 -21.630 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 5.339 -45.677 -21.257 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 5.238 -46.782 -22.287 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 2.230 -38.891 -27.726 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 1.958 -38.662 -28.615 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 2.275 -38.053 -27.266 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 11.425 -42.059 -27.630 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 10.713 -41.524 -27.981 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 12.116 -42.003 -28.290 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 11.479 -43.601 -30.591 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 12.180 -43.579 -29.940 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 11.781 -44.229 -31.247 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 18.794 -42.681 -19.336 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 18.142 -41.986 -19.247 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 19.259 -42.471 -20.146 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 14.831 -41.849 -26.678 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 14.099 -41.621 -26.105 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 15.278 -42.563 -26.223 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 14.728 -43.675 -17.610 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 14.808 -42.912 -17.038 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 14.127 -43.396 -18.301 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 13.702 -42.687 -28.993 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 14.281 -42.537 -28.246 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 14.116 -42.216 -29.716 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 4.643 -41.853 -17.216 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 4.713 -41.202 -16.518 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 3.752 -41.750 -17.551 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 5.466 -42.149 -27.206 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 5.174 -41.381 -27.697 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 4.792 -42.809 -27.369 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 18.590 -36.571 -30.803 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 18.663 -35.632 -30.633 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 19.495 -36.876 -30.860 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 1.559 -39.786 -18.391 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 1.058 -39.814 -19.206 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 1.565 -40.692 -18.081 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 16.659 -44.847 -15.345 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 16.252 -44.366 -16.065 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 16.700 -45.752 -15.652 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 3.808 -38.463 -17.348 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 4.025 -38.824 -16.488 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 2.953 -38.837 -17.558 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 15.179 -41.654 -31.363 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 15.221 -41.877 -32.293 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 16.028 -41.256 -31.173 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 6.518 -45.027 -20.257 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 5.876 -45.068 -19.548 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 6.555 -44.101 -20.495 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 6.515 -44.806 -25.345 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 5.622 -45.147 -25.404 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 6.966 -45.183 -26.101 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 12.051 -44.390 -26.528 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 11.642 -43.575 -26.820 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 12.771 -44.530 -27.143 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 11.153 -44.215 -15.040 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 10.590 -44.919 -14.720 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 11.979 -44.335 -14.573 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 13.055 -44.944 -23.714 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 12.860 -44.339 -24.429 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 13.237 -45.778 -24.149 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 4.268 -44.707 -18.390 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 4.230 -44.307 -17.522 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 3.777 -45.524 -18.300 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 12.319 -43.306 -19.043 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 12.643 -43.937 -19.686 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 11.879 -43.841 -18.382 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 9.097 -47.379 -24.259 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 8.186 -47.322 -23.970 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 9.602 -47.439 -23.448 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 3.925 -45.750 -25.432 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 3.036 -45.650 -25.772 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 4.221 -46.592 -25.778 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 7.578 -45.750 -27.776 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 8.510 -45.621 -27.598 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 7.363 -45.080 -28.425 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 6.252 -44.555 -30.209 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 5.710 -44.935 -30.900 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 7.086 -44.361 -30.638 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 4.387 -39.998 -15.110 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 5.120 -39.744 -14.549 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 3.607 -39.794 -14.595 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 10.417 -44.591 -22.372 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 10.981 -45.138 -22.919 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 10.269 -45.113 -21.583 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 9.043 -46.203 -19.958 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 8.208 -45.749 -19.848 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 9.567 -45.927 -19.206 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 16.737 -40.857 -19.487 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 17.379 -40.400 -20.030 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 15.907 -40.744 -19.949 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 14.203 -45.309 -28.413 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 15.095 -45.446 -28.094 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 14.260 -44.518 -28.950 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 1.720 -42.234 -17.189 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 1.943 -42.652 -16.357 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 1.118 -42.847 -17.611 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 8.737 -42.717 -14.976 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 8.441 -42.883 -15.871 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 9.668 -42.937 -14.986 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 17.384 -36.313 -28.254 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 17.011 -37.139 -27.944 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 17.661 -36.496 -29.151 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 14.544 -41.505 -21.232 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 13.616 -41.737 -21.259 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 14.995 -42.282 -21.562 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 2.842 -42.315 -30.512 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 3.458 -41.688 -30.133 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 1.980 -41.999 -30.241 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 19.280 -33.857 -30.232 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 20.023 -33.271 -30.372 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 18.585 -33.289 -29.899 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 15.642 -39.664 -28.207 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 15.365 -40.392 -27.651 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 16.569 -39.545 -28.001 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 4.257 -40.402 -29.020 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 3.571 -40.050 -28.453 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 4.780 -39.639 -29.266 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 10.609 -45.374 -17.624 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 10.728 -44.800 -16.867 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 11.264 -46.062 -17.509 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 15.415 -43.716 -22.693 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 14.618 -44.131 -23.022 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 15.860 -44.407 -22.202 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 2.216 -33.789 -14.843 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 2.756 -34.006 -14.084 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 1.735 -34.595 -15.033 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 15.509 -35.545 -31.614 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 15.792 -36.339 -31.161 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 16.249 -35.312 -32.175 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 2.123 -39.979 -13.889 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 2.267 -40.881 -14.175 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 1.350 -39.693 -14.377 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 8.778 -40.009 -14.456 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 8.450 -39.738 -15.314 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 8.930 -40.950 -14.544 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 7.613 -41.663 -29.451 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 7.154 -42.147 -28.765 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 7.868 -42.331 -30.087 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 6.902 -43.770 -17.095 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 6.284 -43.095 -16.814 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 7.246 -43.449 -17.928 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 8.684 -43.420 -31.188 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 8.504 -43.574 -32.116 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 9.635 -43.312 -31.144 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 18.074 -41.065 -31.743 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 17.801 -41.490 -32.556 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 18.114 -40.134 -31.960 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 13.652 -44.791 -13.252 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 13.844 -45.722 -13.363 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 14.509 -44.366 -13.262 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 14.968 -42.002 -15.174 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 14.687 -41.293 -15.752 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 15.911 -42.075 -15.325 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 2.150 -38.093 -30.704 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 3.064 -38.014 -30.431 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 2.157 -38.780 -31.371 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 18.533 -40.196 -27.768 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 19.383 -39.775 -27.640 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 18.538 -40.936 -27.160 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 18.927 -42.143 -25.944 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 18.201 -42.622 -25.546 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 19.508 -41.937 -25.212 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 18.686 -39.358 -20.996 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 19.520 -39.736 -21.277 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 18.798 -38.415 -21.115 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 1.749 -41.544 -21.371 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 1.933 -41.626 -22.306 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 2.598 -41.668 -20.947 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 19.067 -43.749 -15.058 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 18.204 -44.128 -15.223 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 19.671 -44.488 -15.132 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 17.065 -44.721 -18.707 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 16.222 -44.453 -18.341 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 17.508 -43.899 -18.918 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 0.872 -44.962 -21.270 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 1.364 -45.183 -22.060 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 1.234 -44.121 -20.989 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 3.341 -36.791 -14.727 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 2.520 -36.616 -15.187 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 3.089 -36.864 -13.806 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 17.936 -33.940 -27.262 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 17.742 -34.688 -27.827 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 17.897 -33.182 -27.846 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 12.704 -41.303 -6.226 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 12.793 -40.359 -6.358 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 12.065 -41.578 -6.884 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 11.637 -42.048 -2.807 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 11.599 -42.694 -2.102 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 11.314 -42.514 -3.578 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 10.026 -39.615 -2.401 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 10.330 -40.301 -2.995 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 10.748 -39.497 -1.783 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 15.855 -37.269 -2.157 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 14.913 -37.211 -1.996 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 16.131 -36.363 -2.294 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 16.952 -39.021 1.454 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 17.092 -39.612 0.715 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 17.120 -38.148 1.098 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 11.425 -42.059 -8.774 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 10.713 -41.524 -9.125 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 12.116 -42.003 -9.434 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 11.479 -43.601 -11.735 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 12.180 -43.579 -11.084 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 11.781 -44.229 -12.391 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 7.843 -37.791 -3.258 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 7.748 -38.369 -4.015 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 8.572 -38.162 -2.762 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 13.152 -36.947 -1.572 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 12.911 -36.285 -0.924 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 12.954 -37.781 -1.147 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 19.507 -36.340 3.031 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 19.458 -37.295 2.994 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 18.681 -36.072 3.433 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 4.554 -34.205 -6.506 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 4.706 -34.553 -5.627 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 3.703 -34.561 -6.761 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 15.179 -41.654 -12.507 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 15.221 -41.877 -13.437 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 16.028 -41.256 -12.317 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 12.051 -44.390 -7.672 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 11.642 -43.575 -7.964 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 12.771 -44.530 -8.287 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 13.055 -44.944 -4.858 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 12.860 -44.339 -5.573 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 13.237 -45.778 -5.293 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 16.789 -32.472 4.138 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 16.989 -32.048 3.303 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 17.445 -32.129 4.745 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 9.587 -39.990 -9.417 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 8.843 -40.497 -9.740 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 9.453 -39.941 -8.471 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 16.737 -40.857 -0.631 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 17.379 -40.400 -1.174 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 15.907 -40.744 -1.093 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 14.203 -45.309 -9.557 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 15.095 -45.446 -9.238 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 14.260 -44.518 -10.094 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 13.357 -37.344 1.770 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 12.456 -37.161 1.502 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 13.391 -37.085 2.691 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 19.088 -45.099 -9.863 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 18.534 -45.495 -10.535 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 19.189 -44.189 -10.140 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 19.052 -39.299 2.974 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 18.200 -39.061 2.607 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 19.642 -39.316 2.221 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 14.544 -41.505 -2.376 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 13.616 -41.737 -2.403 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 14.995 -42.282 -2.706 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 7.087 -37.177 -6.243 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 7.614 -36.404 -6.444 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 6.207 -36.952 -6.545 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 8.514 -39.514 -6.667 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 8.273 -38.589 -6.625 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 7.774 -39.973 -6.271 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 9.029 -35.365 -0.352 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 9.392 -34.510 -0.585 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 9.561 -35.657 0.389 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 12.573 -39.266 -0.651 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 12.147 -39.493 0.175 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 13.154 -40.004 -0.834 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 15.232 -34.714 1.818 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 14.630 -35.269 1.323 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 15.513 -34.047 1.192 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 7.804 -37.655 -10.674 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 7.951 -38.175 -9.884 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 7.801 -36.748 -10.368 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 15.415 -43.716 -3.837 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 14.618 -44.131 -4.166 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 15.860 -44.407 -3.346 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 4.873 -37.788 -11.267 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 5.465 -37.089 -10.991 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 5.332 -38.221 -11.986 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 2.927 -36.402 -7.317 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 2.095 -35.929 -7.290 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 3.473 -35.892 -7.916 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 6.464 -39.635 -12.901 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 6.528 -40.429 -12.370 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 7.117 -39.754 -13.590 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 7.613 -41.663 -10.595 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 7.154 -42.147 -9.909 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 7.868 -42.331 -11.231 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 8.684 -43.420 -12.332 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 8.504 -43.574 -13.260 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 9.635 -43.312 -12.288 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 2.150 -38.093 -11.848 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 3.064 -38.014 -11.575 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 2.157 -38.780 -12.515 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 18.781 -34.243 0.936 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 18.294 -34.978 0.565 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 19.330 -34.636 1.614 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 18.927 -42.143 -7.088 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 18.201 -42.622 -6.690 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 19.508 -41.937 -6.356 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 18.686 -39.358 -2.140 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 19.520 -39.736 -2.421 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 18.798 -38.415 -2.259 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 17.173 -36.480 0.167 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 16.525 -36.155 0.792 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 16.655 -36.920 -0.508 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 19.195 -42.242 -10.697 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 18.674 -41.885 -11.416 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 19.162 -41.567 -10.019 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 17.544 -45.002 -12.146 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 17.641 -44.335 -12.826 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 17.404 -45.818 -12.628 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 16.714 -43.622 -6.525 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 16.564 -44.567 -6.545 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 16.360 -43.341 -5.681 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 16.424 -46.039 -8.063 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 16.704 -46.946 -7.938 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 17.183 -45.605 -8.452 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 12.951 -33.132 2.591 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 13.628 -33.764 2.351 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 13.273 -32.730 3.399 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 10.875 -33.072 -1.359 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 10.418 -32.543 -2.013 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 11.038 -32.469 -0.634 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 13.202 -34.194 -0.414 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 12.298 -34.029 -0.680 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 13.631 -33.341 -0.480 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 5.253 -35.227 -3.999 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 5.034 -36.143 -3.830 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 6.077 -35.087 -3.533 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 7.790 -34.757 -3.151 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 8.003 -35.645 -3.438 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 7.855 -34.791 -2.196 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 2.363 -34.713 -9.483 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 1.678 -34.751 -10.151 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 2.366 -33.800 -9.195 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 4.181 -33.793 -12.458 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 3.913 -33.506 -11.585 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 4.952 -34.339 -12.306 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 17.154 -35.189 3.744 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 16.372 -35.375 3.224 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 17.082 -34.260 3.961 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 19.280 -33.857 7.480 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 20.023 -33.271 7.340 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 18.585 -33.289 7.813 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 12.704 -22.447 -43.938 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 12.793 -21.503 -44.070 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 12.065 -22.722 -44.596 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 11.637 -23.192 -40.519 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 11.599 -23.838 -39.814 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 11.314 -23.658 -41.290 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 4.005 -23.577 -38.926 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 4.047 -24.203 -38.202 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 4.708 -22.954 -38.744 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 15.343 -20.253 -42.217 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 14.902 -20.973 -41.767 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 15.330 -19.532 -41.587 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 12.454 -15.148 -42.005 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 13.074 -15.825 -42.278 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 12.246 -15.366 -41.097 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 10.026 -20.759 -40.113 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 10.330 -21.445 -40.707 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 10.748 -20.641 -39.495 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 13.167 -26.365 -39.785 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 13.310 -27.312 -39.765 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 13.061 -26.158 -40.714 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 6.322 -28.264 -42.513 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 6.365 -27.404 -42.931 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 5.864 -28.816 -43.146 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 14.044 -28.133 -44.112 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 14.690 -28.462 -43.487 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 14.554 -27.615 -44.735 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 2.942 -25.867 -41.751 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 3.596 -26.417 -41.319 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 2.966 -26.141 -42.667 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 7.701 -21.670 -38.151 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 6.961 -21.072 -38.048 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 8.415 -21.116 -38.467 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 15.808 -28.842 -42.131 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 15.593 -29.608 -41.599 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 16.464 -28.370 -41.618 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 4.726 -27.454 -40.486 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 5.339 -26.821 -40.113 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 5.238 -27.926 -41.143 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 6.109 -19.706 -37.364 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 6.103 -18.827 -37.742 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 5.255 -19.789 -36.939 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 9.158 -32.040 -40.986 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 9.041 -32.989 -41.040 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 8.303 -31.708 -40.713 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 14.107 -16.632 -43.244 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 14.532 -17.339 -43.729 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 14.424 -15.831 -43.661 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 15.266 -18.731 -44.735 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 15.009 -19.421 -45.347 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 15.337 -19.174 -43.890 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 14.831 -22.993 -45.534 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 14.099 -22.765 -44.961 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 15.278 -23.707 -45.079 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 6.843 -23.594 -40.018 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 7.408 -23.473 -40.781 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 7.162 -22.957 -39.379 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 4.643 -22.997 -36.072 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 4.713 -22.346 -35.374 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 3.752 -22.894 -36.407 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 5.962 -17.123 -34.537 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 5.970 -17.259 -35.485 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 5.046 -17.241 -34.285 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 1.559 -20.930 -37.247 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 1.058 -20.958 -38.062 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 1.565 -21.836 -36.937 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 3.808 -19.607 -36.204 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 4.025 -19.968 -35.344 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 2.953 -19.981 -36.414 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 6.427 -31.137 -40.208 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 5.566 -31.224 -40.616 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 6.405 -30.281 -39.781 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 11.090 -31.415 -36.834 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 11.510 -31.830 -36.081 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 10.157 -31.593 -36.717 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 6.518 -26.171 -39.113 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 5.876 -26.212 -38.404 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 6.555 -25.245 -39.351 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 13.055 -26.088 -42.570 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 12.860 -25.483 -43.285 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 13.237 -26.922 -43.005 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 12.319 -24.450 -37.899 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 12.643 -25.081 -38.542 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 11.879 -24.985 -37.238 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 13.502 -29.288 -39.851 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 12.825 -29.157 -39.187 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 13.016 -29.443 -40.661 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 9.043 -27.347 -38.814 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 8.208 -26.893 -38.704 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 9.567 -27.071 -38.062 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 1.720 -23.378 -36.045 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 1.943 -23.796 -35.213 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 1.118 -23.991 -36.467 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 19.088 -26.243 -47.575 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 18.534 -26.639 -48.247 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 19.189 -25.333 -47.852 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 14.544 -22.649 -40.088 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 13.616 -22.881 -40.115 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 14.995 -23.426 -40.418 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 9.029 -16.509 -38.064 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 9.392 -15.654 -38.297 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 9.561 -16.801 -37.323 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 12.573 -20.410 -38.363 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 12.147 -20.637 -37.537 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 13.154 -21.148 -38.546 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 15.642 -20.808 -47.063 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 15.365 -21.536 -46.507 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 16.569 -20.689 -46.857 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 3.005 -16.820 -38.052 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 3.222 -17.752 -38.083 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 3.252 -16.546 -37.168 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 12.089 -28.884 -37.597 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 12.787 -28.810 -36.947 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 11.708 -29.748 -37.442 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 10.609 -26.518 -36.480 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 10.728 -25.944 -35.723 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 11.264 -27.206 -36.365 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 16.502 -15.604 -39.927 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 16.346 -14.926 -40.584 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 17.434 -15.532 -39.724 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 3.997 -31.486 -41.190 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 3.768 -31.427 -42.117 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 3.554 -32.278 -40.883 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 9.236 -23.750 -37.136 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 9.987 -23.906 -37.709 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 8.897 -22.898 -37.412 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 19.218 -14.954 -39.698 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 19.196 -14.769 -38.759 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 19.908 -14.385 -40.039 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 18.533 -21.340 -46.624 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 19.383 -20.919 -46.496 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 18.538 -22.080 -46.016 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 18.927 -23.287 -44.800 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 18.201 -23.766 -44.402 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 19.508 -23.081 -44.068 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 19.195 -23.386 -48.409 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 18.674 -23.029 -49.128 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 19.162 -22.711 -47.731 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 16.714 -24.766 -44.237 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 16.564 -25.711 -44.257 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 16.360 -24.485 -43.393 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 16.424 -27.183 -45.775 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 16.704 -28.090 -45.650 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 17.183 -26.749 -46.164 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 2.568 -29.105 -41.195 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 3.013 -29.897 -40.893 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 3.034 -28.389 -40.764 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 0.872 -26.106 -40.126 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 1.364 -26.327 -40.916 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 1.234 -25.265 -39.845 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 15.956 -14.864 -44.126 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 16.609 -15.211 -44.734 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 16.467 -14.375 -43.480 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 1.149 -31.110 -37.727 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 0.484 -31.356 -37.084 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 0.706 -30.488 -38.304 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 3.341 -17.935 -33.583 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 2.520 -17.760 -34.043 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 3.089 -18.008 -32.662 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 6.295 -16.960 -37.324 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 5.870 -16.151 -37.607 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 7.200 -16.875 -37.626 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 3.697 -13.704 -37.277 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 2.977 -13.264 -37.728 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 3.331 -13.955 -36.428 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 6.164 -14.104 -38.247 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 5.299 -14.032 -37.843 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 6.109 -13.557 -39.031 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 10.875 -14.216 -39.071 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 10.418 -13.687 -39.725 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 11.038 -13.613 -38.346 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 11.299 -30.237 -41.718 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 10.624 -30.866 -41.463 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 11.863 -30.721 -42.321 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 16.441 -32.130 -41.606 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 17.045 -31.582 -42.107 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 15.572 -31.810 -41.846 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 18.168 -30.991 -43.272 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 18.780 -31.505 -43.799 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 18.551 -30.113 -43.249 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 13.762 -31.646 -42.434 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 13.838 -31.551 -43.383 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 13.486 -32.554 -42.305 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 15.855 -18.413 -21.013 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 14.913 -18.355 -20.852 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 16.131 -17.507 -21.150 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 18.794 -23.825 -19.336 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 18.142 -23.130 -19.247 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 19.259 -23.615 -20.146 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 16.789 -13.616 -14.718 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 16.989 -13.192 -15.553 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 17.445 -13.273 -14.111 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 19.088 -26.243 -28.719 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 18.534 -26.639 -29.391 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 19.189 -25.333 -28.996 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 7.198 -15.636 -25.978 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 6.248 -15.531 -25.926 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 7.549 -14.816 -25.633 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 16.502 -15.604 -21.071 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 16.346 -14.926 -21.728 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 17.434 -15.532 -20.868 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 19.218 -14.954 -20.842 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 19.196 -14.769 -19.903 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 19.908 -14.385 -21.183 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 18.781 -15.387 -17.920 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 18.294 -16.122 -18.291 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 19.330 -15.780 -17.242 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 18.927 -23.287 -25.944 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 18.201 -23.766 -25.546 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 19.508 -23.081 -25.212 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 18.686 -20.502 -20.996 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 19.520 -20.880 -21.277 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 18.798 -19.559 -21.115 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 18.904 -29.853 -30.342 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 19.317 -30.574 -30.818 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 19.586 -29.183 -30.284 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 15.807 -13.768 -18.975 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 15.625 -12.852 -19.186 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 15.983 -14.178 -19.822 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 17.936 -15.084 -27.262 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 17.742 -15.832 -27.827 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 17.897 -14.326 -27.846 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 11.637 -23.192 -2.807 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 11.599 -23.838 -2.102 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 11.314 -23.658 -3.578 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 15.343 -20.253 -4.505 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 14.902 -20.973 -4.055 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 15.330 -19.532 -3.875 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 1.539 -25.467 -7.286 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 1.091 -24.621 -7.304 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 0.978 -26.047 -7.801 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 2.249 -23.305 -5.160 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 2.463 -24.075 -4.633 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 2.987 -23.216 -5.763 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 10.026 -20.759 -2.401 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 10.330 -21.445 -2.995 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 10.748 -20.641 -1.783 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 13.167 -26.365 -2.073 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 13.310 -27.312 -2.053 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 13.061 -26.158 -3.002 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 6.322 -28.264 -4.801 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 6.365 -27.404 -5.219 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 5.864 -28.816 -5.434 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 2.942 -25.867 -4.039 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 3.596 -26.417 -3.607 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 2.966 -26.141 -4.955 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 8.098 -24.317 -4.823 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 8.714 -24.843 -4.314 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 7.512 -24.957 -5.227 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 7.701 -21.670 -0.439 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 6.961 -21.072 -0.336 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 8.415 -21.116 -0.755 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 4.726 -27.454 -2.774 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 5.339 -26.821 -2.401 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 5.238 -27.926 -3.431 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 6.109 -19.706 0.348 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 6.103 -18.827 -0.030 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 5.255 -19.789 0.773 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 2.230 -20.035 -8.870 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 1.958 -19.806 -9.759 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 2.275 -19.197 -8.410 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 15.855 -18.413 -2.157 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 14.913 -18.355 -1.996 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 16.131 -17.507 -2.294 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 9.158 -32.040 -3.274 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 9.041 -32.989 -3.328 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 8.303 -31.708 -3.001 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 18.794 -23.825 -0.480 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 18.142 -23.130 -0.391 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 19.259 -23.615 -1.290 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 14.728 -24.819 1.246 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 14.808 -24.056 1.818 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 14.127 -24.540 0.555 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 7.843 -18.935 -3.258 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 7.748 -19.513 -4.015 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 8.572 -19.306 -2.762 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 6.843 -23.594 -2.306 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 7.408 -23.473 -3.069 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 7.162 -22.957 -1.667 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 13.152 -18.091 -1.572 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 12.911 -17.429 -0.924 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 12.954 -18.925 -1.147 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 7.723 -19.195 2.411 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 7.411 -18.413 2.867 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 7.073 -19.348 1.725 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 4.643 -22.997 1.640 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 4.713 -22.346 2.338 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 3.752 -22.894 1.305 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 18.590 -17.715 -11.947 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 18.663 -16.776 -11.777 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 19.495 -18.020 -12.004 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 1.559 -20.930 0.465 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 1.058 -20.958 -0.350 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 1.565 -21.836 0.775 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 1.310 -18.150 -2.651 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 2.256 -18.294 -2.670 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 1.197 -17.366 -2.114 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 10.486 -17.910 1.907 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 10.573 -17.084 2.382 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 9.622 -18.240 2.156 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 16.659 -25.991 3.511 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 16.252 -25.510 2.791 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 16.700 -26.896 3.204 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 6.427 -31.137 -2.496 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 5.566 -31.224 -2.904 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 6.405 -30.281 -2.069 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 11.090 -31.415 0.878 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 11.510 -31.830 1.631 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 10.157 -31.593 0.995 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 14.416 -27.659 1.732 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 13.902 -27.785 2.529 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 14.261 -26.747 1.487 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 6.518 -26.171 -1.401 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 5.876 -26.212 -0.692 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 6.555 -25.245 -1.639 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 0.876 -28.735 -5.684 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 1.507 -28.764 -4.964 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 1.326 -29.160 -6.414 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 2.151 -27.989 -10.260 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 2.625 -27.398 -10.845 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 1.433 -27.458 -9.913 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 12.319 -24.450 -0.187 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 12.643 -25.081 -0.830 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 11.879 -24.985 0.474 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 9.097 -28.523 -5.403 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 8.186 -28.466 -5.114 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 9.602 -28.583 -4.592 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 3.925 -26.894 -6.576 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 3.036 -26.794 -6.916 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 4.221 -27.736 -6.922 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 4.387 -21.142 3.746 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 5.120 -20.888 4.307 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 3.607 -20.938 4.261 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 10.417 -25.735 -3.516 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 10.981 -26.282 -4.063 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 10.269 -26.257 -2.727 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 5.419 -29.599 -7.098 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 5.102 -30.501 -7.133 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 6.200 -29.597 -7.650 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 9.043 -27.347 -1.102 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 8.208 -26.893 -0.992 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 9.567 -27.071 -0.350 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 9.587 -21.134 -9.417 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 8.843 -21.641 -9.740 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 9.453 -21.085 -8.471 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 16.737 -22.001 -0.631 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 17.379 -21.544 -1.174 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 15.907 -21.888 -1.093 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 11.107 -20.950 1.820 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 10.761 -21.331 2.626 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 10.907 -20.016 1.891 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 4.712 -21.839 -3.648 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 5.457 -21.841 -4.249 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 4.790 -22.663 -3.166 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 1.720 -23.378 1.667 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 1.943 -23.796 2.499 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 1.118 -23.991 1.245 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 13.357 -18.488 1.770 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 12.456 -18.305 1.502 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 13.391 -18.229 2.691 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 17.384 -17.457 -9.398 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 17.011 -18.283 -9.088 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 17.661 -17.640 -10.295 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 14.544 -22.649 -2.376 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 13.616 -22.881 -2.403 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 14.995 -23.426 -2.706 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 7.087 -18.321 -6.243 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 7.614 -17.548 -6.444 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 6.207 -18.096 -6.545 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 8.514 -20.658 -6.667 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 8.273 -19.733 -6.625 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 7.774 -21.117 -6.271 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 7.198 -15.636 -7.122 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 6.248 -15.531 -7.070 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 7.549 -14.816 -6.777 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 12.573 -20.410 -0.651 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 12.147 -20.637 0.175 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 13.154 -21.148 -0.834 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 15.232 -15.858 1.818 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 14.630 -16.413 1.323 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 15.513 -15.191 1.192 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 19.280 -15.001 -11.376 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 20.023 -14.415 -11.516 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 18.585 -14.433 -11.043 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 12.089 -28.884 0.115 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 12.787 -28.810 0.765 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 11.708 -29.748 0.270 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 16.813 -28.611 2.067 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 15.897 -28.348 1.979 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 17.149 -28.614 1.170 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 16.502 -15.604 -2.215 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 16.346 -14.926 -2.872 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 17.434 -15.532 -2.012 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 2.927 -17.546 -7.317 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 2.095 -17.073 -7.290 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 3.473 -17.036 -7.916 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 13.390 -17.634 4.362 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 13.039 -18.490 4.605 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 14.116 -17.491 4.969 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 2.123 -21.123 4.967 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 2.267 -22.025 4.681 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 1.350 -20.837 4.479 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 8.778 -21.153 4.400 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 8.450 -20.882 3.542 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 8.930 -22.094 4.312 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 12.440 -28.284 3.407 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 11.492 -28.252 3.539 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 12.752 -28.909 4.061 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 0.799 -13.844 -6.771 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 0.152 -14.306 -7.304 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 1.154 -14.516 -6.188 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 19.218 -14.954 -1.986 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 19.196 -14.769 -1.047 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 19.908 -14.385 -2.327 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 18.686 -20.502 -2.140 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 19.520 -20.880 -2.421 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 18.798 -19.559 -2.259 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 17.173 -17.624 0.167 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 16.525 -17.299 0.792 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 16.655 -18.064 -0.508 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 1.749 -22.688 -2.515 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 1.933 -22.770 -3.450 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 2.598 -22.812 -2.091 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 19.067 -24.893 3.798 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 18.204 -25.272 3.633 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 19.671 -25.632 3.724 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 17.065 -25.865 0.149 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 16.222 -25.597 0.515 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 17.508 -25.043 -0.062 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 19.348 -31.885 5.503 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 19.698 -32.539 4.897 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 19.495 -31.048 5.063 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 2.568 -29.105 -3.483 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 3.013 -29.897 -3.181 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 3.034 -28.389 -3.052 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 18.868 -29.776 3.852 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 17.951 -29.505 3.816 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 18.991 -30.311 3.068 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 1.185 -29.848 -8.359 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 0.260 -29.639 -8.489 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 1.639 -29.364 -9.049 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 12.951 -14.276 2.591 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 13.628 -14.908 2.351 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 13.273 -13.874 3.399 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 17.869 -31.686 1.671 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 17.056 -31.361 1.283 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 18.102 -32.446 1.138 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 10.875 -14.216 -1.359 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 10.418 -13.687 -2.013 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 11.038 -13.613 -0.634 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 13.202 -15.338 -0.414 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 12.298 -15.173 -0.680 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 13.631 -14.485 -0.480 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 15.807 -13.768 -0.119 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 15.625 -12.852 -0.330 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 15.983 -14.178 -0.966 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 11.299 -30.237 -4.006 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 10.624 -30.866 -3.751 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 11.863 -30.721 -4.609 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 3.625 -31.603 -6.184 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 2.848 -31.837 -6.692 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 4.156 -32.400 -6.176 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 2.462 -31.805 -10.381 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 2.901 -31.194 -10.972 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 1.828 -31.267 -9.907 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 2.363 -15.857 -9.483 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 1.678 -15.895 -10.151 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 2.366 -14.944 -9.195 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 17.936 -15.084 -8.406 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 17.742 -15.832 -8.971 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 17.897 -14.326 -8.990 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 12.454 -15.148 14.563 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 13.074 -15.825 14.290 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 12.246 -15.366 15.471 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 12.501 -19.846 11.673 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 12.205 -20.168 10.822 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 12.177 -18.946 11.715 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 2.230 -20.035 9.986 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 1.958 -19.806 9.097 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 2.275 -19.197 10.446 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 14.107 -16.632 13.324 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 14.532 -17.339 12.839 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 14.424 -15.831 12.907 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 7.843 -18.935 15.598 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 7.748 -19.513 14.841 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 8.572 -19.306 16.094 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 11.428 -17.094 12.154 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 11.902 -16.799 12.932 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 10.865 -16.356 11.921 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 5.466 -23.293 10.506 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 5.174 -22.525 10.015 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 4.792 -23.953 10.343 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 4.554 -15.349 12.350 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 4.706 -15.697 13.229 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 3.703 -15.705 12.095 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 14.002 -14.984 7.572 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 14.377 -15.728 7.101 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 14.006 -15.254 8.490 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 13.671 -15.058 10.321 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 12.736 -14.958 10.500 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 13.951 -15.767 10.899 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 9.587 -21.134 9.439 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 8.843 -21.641 9.116 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 9.453 -21.085 10.385 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 11.713 -19.675 8.464 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 11.418 -18.849 8.846 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 11.010 -20.295 8.660 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 7.087 -18.321 12.613 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 7.614 -17.548 12.412 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 6.207 -18.096 12.311 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 8.514 -20.658 12.189 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 8.273 -19.733 12.231 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 7.774 -21.117 12.585 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 14.776 -19.481 7.279 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 15.129 -19.861 8.083 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 13.827 -19.574 7.365 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 4.257 -21.546 8.692 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 3.571 -21.194 9.259 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 4.780 -20.783 8.446 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 4.873 -18.932 7.589 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 5.465 -18.233 7.865 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 5.332 -19.365 6.870 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 2.927 -17.546 11.539 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 2.095 -17.073 11.566 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 3.473 -17.036 10.940 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 6.464 -20.779 5.955 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 6.528 -21.573 6.486 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 7.117 -20.898 5.266 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 11.816 -19.732 5.691 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 11.548 -19.552 6.592 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 11.610 -20.658 5.560 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 7.613 -22.807 8.261 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 7.154 -23.291 8.947 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 7.868 -23.475 7.625 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 2.150 -19.237 7.008 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 3.064 -19.158 7.281 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 2.157 -19.924 6.341 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 0.799 -13.844 12.085 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 0.152 -14.306 11.552 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 1.154 -14.516 12.668 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 1.669 -15.763 13.890 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 1.335 -16.644 14.062 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 1.891 -15.418 14.754 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 16.792 -28.738 5.827 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 17.402 -29.110 6.464 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 15.955 -29.160 6.023 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 18.904 -29.853 7.370 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 19.317 -30.574 6.894 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 19.586 -29.183 7.428 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 15.956 -14.864 12.442 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 16.609 -15.211 11.834 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 16.467 -14.375 13.088 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 10.875 -14.216 17.497 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 10.418 -13.687 16.843 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 11.038 -13.613 18.222 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 3.112 -15.081 16.202 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 3.093 -15.506 17.059 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 3.917 -15.399 15.793 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 5.253 -16.371 14.857 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 5.034 -17.287 15.026 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 6.077 -16.231 15.323 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 7.790 -15.901 15.705 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 8.003 -16.789 15.418 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 7.855 -15.935 16.660 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 2.363 -15.857 9.373 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 1.678 -15.895 8.705 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 2.366 -14.944 9.661 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 11.637 -4.336 -40.519 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 11.599 -4.982 -39.814 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 11.314 -4.802 -41.290 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 18.689 -10.302 -39.252 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 18.738 -9.692 -38.516 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 19.115 -9.841 -39.975 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 13.167 -7.509 -39.785 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 13.310 -8.456 -39.765 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 13.061 -7.302 -40.714 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 19.081 -8.824 -37.016 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 18.392 -8.166 -37.111 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 19.096 -9.021 -36.079 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 5.132 -10.490 -38.439 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 4.913 -9.960 -39.205 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 4.464 -10.263 -37.791 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 15.808 -9.986 -42.131 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 15.593 -10.752 -41.599 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 16.464 -9.514 -41.618 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 9.158 -13.184 -40.986 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 9.041 -14.133 -41.040 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 8.303 -12.852 -40.713 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 18.794 -4.969 -38.192 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 18.142 -4.274 -38.103 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 19.259 -4.759 -39.002 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 6.427 -12.281 -40.208 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 5.566 -12.368 -40.616 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 6.405 -11.425 -39.781 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 11.153 -6.503 -33.896 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 10.590 -7.207 -33.576 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 11.979 -6.623 -33.429 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 13.055 -7.232 -42.570 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 12.860 -6.627 -43.285 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 13.237 -8.066 -43.005 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 12.319 -5.594 -37.899 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 12.643 -6.225 -38.542 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 11.879 -6.129 -37.238 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 13.502 -10.432 -39.851 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 12.825 -10.301 -39.187 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 13.016 -10.587 -40.661 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 10.417 -6.879 -41.228 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 10.981 -7.426 -41.775 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 10.269 -7.401 -40.439 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 9.043 -8.491 -38.814 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 8.208 -8.037 -38.704 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 9.567 -8.215 -38.062 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 16.737 -3.145 -38.343 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 17.379 -2.688 -38.886 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 15.907 -3.032 -38.805 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 11.107 -2.094 -35.892 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 10.761 -2.475 -35.086 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 10.907 -1.160 -35.821 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 8.737 -5.005 -33.832 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 8.441 -5.171 -34.727 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 9.668 -5.225 -33.842 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 14.544 -3.793 -40.088 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 13.616 -4.025 -40.115 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 14.995 -4.570 -40.418 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 3.354 -9.769 -36.487 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 2.461 -9.430 -36.554 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 3.255 -10.624 -36.069 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 10.609 -7.662 -36.480 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 10.728 -7.088 -35.723 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 11.264 -8.350 -36.365 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 15.415 -6.004 -41.549 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 14.618 -6.419 -41.878 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 15.860 -6.695 -41.058 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 14.513 -2.381 -35.929 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 15.258 -1.793 -36.049 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 13.756 -1.799 -35.866 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 6.902 -6.058 -35.951 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 6.284 -5.383 -35.670 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 7.246 -5.737 -36.784 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 11.922 -3.587 -32.673 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 12.875 -3.503 -32.701 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 11.762 -4.298 -32.054 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 7.242 -8.703 -34.868 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 7.392 -9.432 -35.471 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 7.244 -7.926 -35.427 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 7.654 -10.333 -37.376 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 8.190 -9.882 -38.028 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 6.802 -10.441 -37.798 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 9.236 -4.894 -37.136 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 9.987 -5.050 -37.709 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 8.897 -4.042 -37.412 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 14.968 -4.290 -34.030 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 14.687 -3.581 -34.608 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 15.911 -4.363 -34.181 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 5.720 -7.505 -32.957 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 4.953 -8.037 -33.167 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 6.399 -7.815 -33.556 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 8.460 -12.877 -36.944 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 8.362 -11.930 -37.050 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 7.717 -13.249 -37.420 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 3.901 -9.584 -33.252 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 4.112 -10.291 -33.863 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 3.789 -10.022 -32.408 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 17.570 -3.940 -34.598 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 18.153 -4.674 -34.407 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 18.134 -3.168 -34.552 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 19.067 -6.037 -33.914 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 18.204 -6.416 -34.079 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 19.671 -6.776 -33.988 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 17.036 -7.746 -40.339 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 17.969 -7.534 -40.373 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 16.801 -7.644 -39.416 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 17.065 -7.009 -37.563 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 16.222 -6.741 -37.197 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 17.508 -6.187 -37.774 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 1.347 -8.561 -34.086 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 2.266 -8.683 -33.850 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 0.897 -9.311 -33.697 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 1.149 -12.254 -37.727 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 0.484 -12.500 -37.084 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 0.706 -11.632 -38.304 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 11.299 -11.381 -41.718 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 10.624 -12.010 -41.463 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 11.863 -11.865 -42.321 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 16.441 -13.274 -41.606 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 17.045 -12.726 -42.107 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 15.572 -12.954 -41.846 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 13.762 -12.790 -42.434 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 13.838 -12.695 -43.383 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 13.486 -13.698 -42.305 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 11.637 -4.336 -21.663 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 11.599 -4.982 -20.958 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 11.314 -4.802 -22.434 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 4.005 -4.721 -20.070 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 4.047 -5.347 -19.346 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 4.708 -4.098 -19.888 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 1.539 -6.611 -26.142 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 1.091 -5.765 -26.160 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 0.978 -7.191 -26.657 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 18.689 -10.302 -20.396 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 18.738 -9.692 -19.660 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 19.115 -9.841 -21.119 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 14.044 -9.277 -25.256 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 14.690 -9.606 -24.631 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 14.554 -8.759 -25.879 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 2.942 -7.011 -22.895 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 3.596 -7.561 -22.463 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 2.966 -7.285 -23.811 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 8.098 -5.461 -23.679 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 8.714 -5.987 -23.170 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 7.512 -6.101 -24.083 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 19.081 -8.824 -18.160 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 18.392 -8.166 -18.255 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 19.096 -9.021 -17.223 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 7.701 -2.814 -19.295 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 6.961 -2.216 -19.192 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 8.415 -2.260 -19.611 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 15.808 -9.986 -23.275 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 15.593 -10.752 -22.743 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 16.464 -9.514 -22.762 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 11.425 -4.347 -27.630 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 10.713 -3.812 -27.981 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 12.116 -4.291 -28.290 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 11.479 -5.889 -30.591 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 12.180 -5.867 -29.940 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 11.781 -6.517 -31.247 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 18.794 -4.969 -19.336 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 18.142 -4.274 -19.247 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 19.259 -4.759 -20.146 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 14.728 -5.963 -17.610 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 14.808 -5.200 -17.038 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 14.127 -5.684 -18.301 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 6.843 -4.738 -21.162 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 7.408 -4.617 -21.925 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 7.162 -4.101 -20.523 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 13.702 -4.975 -28.993 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 14.281 -4.825 -28.246 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 14.116 -4.504 -29.716 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 4.643 -4.141 -17.216 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 4.713 -3.490 -16.518 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 3.752 -4.038 -17.551 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 16.659 -7.135 -15.345 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 16.252 -6.654 -16.065 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 16.700 -8.040 -15.652 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 15.179 -3.942 -31.363 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 15.221 -4.165 -32.293 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 16.028 -3.544 -31.173 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 6.515 -7.094 -25.345 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 5.622 -7.435 -25.404 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 6.966 -7.471 -26.101 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 12.051 -6.678 -26.528 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 11.642 -5.863 -26.820 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 12.771 -6.818 -27.143 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 11.153 -6.503 -15.040 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 10.590 -7.207 -14.720 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 11.979 -6.623 -14.573 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 13.055 -7.232 -23.714 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 12.860 -6.627 -24.429 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 13.237 -8.066 -24.149 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 4.268 -6.995 -18.390 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 4.230 -6.595 -17.522 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 3.777 -7.812 -18.300 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 2.151 -9.133 -29.116 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 2.625 -8.542 -29.701 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 1.433 -8.602 -28.769 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 12.319 -5.594 -19.043 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 12.643 -6.225 -19.686 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 11.879 -6.129 -18.382 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 3.925 -8.038 -25.432 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 3.036 -7.938 -25.772 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 4.221 -8.880 -25.778 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 7.578 -8.038 -27.776 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 8.510 -7.909 -27.598 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 7.363 -7.368 -28.425 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 6.252 -6.843 -30.209 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 5.710 -7.223 -30.900 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 7.086 -6.649 -30.638 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 4.387 -2.286 -15.110 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 5.120 -2.032 -14.549 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 3.607 -2.082 -14.595 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 16.737 -3.145 -19.487 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 17.379 -2.688 -20.030 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 15.907 -3.032 -19.949 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 14.203 -7.597 -28.413 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 15.095 -7.734 -28.094 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 14.260 -6.806 -28.950 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 1.720 -4.522 -17.189 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 1.943 -4.940 -16.357 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 1.118 -5.135 -17.611 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 8.737 -5.005 -14.976 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 8.441 -5.171 -15.871 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 9.668 -5.225 -14.986 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 19.088 -7.387 -28.719 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 18.534 -7.783 -29.391 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 19.189 -6.477 -28.996 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 14.544 -3.793 -21.232 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 13.616 -4.025 -21.259 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 14.995 -4.570 -21.562 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 10.073 -8.648 -26.809 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 10.885 -8.144 -26.763 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 9.828 -8.793 -25.895 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 10.957 -11.567 -25.871 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 10.610 -10.949 -25.226 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 11.615 -11.066 -26.352 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 16.813 -9.755 -16.789 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 15.897 -9.492 -16.877 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 17.149 -9.758 -17.686 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 15.415 -6.004 -22.693 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 14.618 -6.419 -23.022 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 15.860 -6.695 -22.202 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 3.189 -7.412 -31.007 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 3.144 -6.473 -30.828 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 2.301 -7.648 -31.277 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 2.123 -2.267 -13.889 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 2.267 -3.169 -14.175 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 1.350 -1.981 -14.377 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 8.778 -2.297 -14.456 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 8.450 -2.026 -15.314 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 8.930 -3.238 -14.544 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 2.955 -5.067 -14.469 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 3.363 -5.924 -14.590 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 2.695 -5.052 -13.548 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 6.902 -6.058 -17.095 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 6.284 -5.383 -16.814 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 7.246 -5.737 -17.928 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 8.684 -5.708 -31.188 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 8.504 -5.862 -32.116 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 9.635 -5.600 -31.144 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 11.922 -3.587 -13.817 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 12.875 -3.503 -13.845 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 11.762 -4.298 -13.198 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 18.074 -3.353 -31.743 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 17.801 -3.778 -32.556 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 18.114 -2.422 -31.960 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 7.242 -8.703 -16.012 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 7.392 -9.432 -16.615 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 7.244 -7.926 -16.571 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 9.236 -4.894 -18.280 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 9.987 -5.050 -18.853 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 8.897 -4.042 -18.556 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 13.652 -7.079 -13.252 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 13.844 -8.010 -13.363 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 14.509 -6.654 -13.262 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 14.968 -4.290 -15.174 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 14.687 -3.581 -15.752 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 15.911 -4.363 -15.325 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 17.544 -7.290 -31.002 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 17.641 -6.623 -31.682 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 17.404 -8.106 -31.484 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 19.067 -6.037 -15.058 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 18.204 -6.416 -15.223 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 19.671 -6.776 -15.132 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 16.424 -8.327 -26.919 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 16.704 -9.234 -26.794 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 17.183 -7.893 -27.308 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 17.036 -7.746 -21.483 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 17.969 -7.534 -21.517 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 16.801 -7.644 -20.560 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 17.065 -7.009 -18.707 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 16.222 -6.741 -18.341 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 17.508 -6.187 -18.918 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 1.347 -8.561 -15.230 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 2.266 -8.683 -14.994 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 0.897 -9.311 -14.841 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 19.348 -13.029 -13.353 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 19.698 -13.683 -13.959 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 19.495 -12.192 -13.793 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 17.038 -11.064 -26.870 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 17.220 -11.513 -26.045 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 16.438 -11.649 -27.334 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 0.872 -7.250 -21.270 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 1.364 -7.471 -22.060 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 1.234 -6.409 -20.989 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 18.868 -10.920 -15.004 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 17.951 -10.649 -15.040 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 18.991 -11.455 -15.788 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 1.185 -10.992 -27.215 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 0.260 -10.783 -27.345 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 1.639 -10.508 -27.905 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 17.869 -12.830 -17.185 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 17.056 -12.505 -17.573 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 18.102 -13.590 -17.718 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 16.441 -13.274 -22.750 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 17.045 -12.726 -23.251 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 15.572 -12.954 -22.990 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 18.168 -12.135 -24.416 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 18.780 -12.649 -24.943 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 18.551 -11.257 -24.393 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 2.462 -12.949 -29.237 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 2.901 -12.338 -29.828 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 1.828 -12.411 -28.763 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 15.115 -12.764 -27.885 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 14.412 -12.150 -28.095 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 14.670 -13.602 -27.754 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 15.343 -1.397 -4.505 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 14.902 -2.117 -4.055 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 15.330 -0.676 -3.875 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 4.929 -0.271 -2.679 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 4.559 -1.073 -3.048 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 5.870 -0.440 -2.632 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 1.539 -6.611 -7.286 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 1.091 -5.765 -7.304 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 0.978 -7.191 -7.801 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 2.249 -4.449 -5.160 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 2.463 -5.219 -4.633 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 2.987 -4.360 -5.763 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 18.689 -10.302 -1.540 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 18.738 -9.692 -0.804 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 19.115 -9.841 -2.263 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 12.501 -0.990 -7.183 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 12.205 -1.312 -8.034 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 12.177 -0.090 -7.141 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 7.701 -2.814 -0.439 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 6.961 -2.216 -0.336 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 8.415 -2.260 -0.755 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 6.109 -0.850 0.348 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 6.103 0.029 -0.030 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 5.255 -0.933 0.773 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 2.230 -1.179 -8.870 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 1.958 -0.950 -9.759 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 2.275 -0.341 -8.410 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 15.855 0.443 -2.157 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 14.913 0.501 -1.996 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 16.131 1.349 -2.294 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 16.155 -11.271 -0.740 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 15.419 -10.660 -0.778 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 16.839 -10.856 -1.266 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 14.107 2.224 -5.532 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 14.532 1.517 -6.017 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 14.424 3.025 -5.949 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 15.266 0.125 -7.023 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 15.009 -0.565 -7.635 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 15.337 -0.318 -6.178 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 16.952 -1.309 1.454 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 17.092 -1.900 0.715 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 17.120 -0.436 1.098 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 11.425 -4.347 -8.774 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 10.713 -3.812 -9.125 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 12.116 -4.291 -9.434 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 11.479 -5.889 -11.735 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 12.180 -5.867 -11.084 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 11.781 -6.517 -12.391 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 18.794 -4.969 -0.480 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 18.142 -4.274 -0.391 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 19.259 -4.759 -1.290 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 14.831 -4.137 -7.822 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 14.099 -3.909 -7.249 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 15.278 -4.851 -7.367 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 14.728 -5.963 1.246 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 14.808 -5.200 1.818 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 14.127 -5.684 0.555 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 6.476 -3.507 -5.939 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 6.146 -3.877 -6.758 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 7.064 -4.177 -5.593 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 7.843 -0.079 -3.258 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 7.748 -0.657 -4.015 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 8.572 -0.450 -2.762 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 13.152 0.765 -1.572 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 12.911 1.427 -0.924 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 12.954 -0.069 -1.147 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 7.723 -0.339 2.411 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 7.411 0.443 2.867 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 7.073 -0.492 1.725 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 13.702 -4.975 -10.137 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 14.281 -4.825 -9.390 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 14.116 -4.504 -10.860 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 11.428 1.762 -6.702 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 11.902 2.057 -5.924 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 10.865 2.500 -6.935 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 17.400 -13.225 -10.324 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 16.501 -13.086 -10.029 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 17.652 -12.394 -10.726 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 1.559 -2.074 0.465 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 1.058 -2.102 -0.350 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 1.565 -2.980 0.775 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 1.310 0.706 -2.651 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 2.256 0.562 -2.670 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 1.197 1.490 -2.114 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 10.486 0.946 1.907 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 10.573 1.772 2.382 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 9.622 0.616 2.156 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 16.659 -7.135 3.511 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 16.252 -6.654 2.791 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 16.700 -8.040 3.204 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 3.808 -0.751 1.508 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 4.025 -1.112 2.368 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 2.953 -1.125 1.298 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 11.090 -12.559 0.878 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 11.510 -12.974 1.631 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 10.157 -12.737 0.995 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 14.416 -8.803 1.732 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 13.902 -8.929 2.529 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 14.261 -7.891 1.487 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 15.179 -3.942 -12.507 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 15.221 -4.165 -13.437 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 16.028 -3.544 -12.317 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 11.153 -6.503 3.816 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 10.590 -7.207 4.136 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 11.979 -6.623 4.283 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 0.876 -9.879 -5.684 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 1.507 -9.908 -4.964 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 1.326 -10.304 -6.414 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 2.151 -9.133 -10.260 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 2.625 -8.542 -10.845 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 1.433 -8.602 -9.913 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 3.925 -8.038 -6.576 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 3.036 -7.938 -6.916 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 4.221 -8.880 -6.922 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 13.502 -10.432 -2.139 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 12.825 -10.301 -1.475 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 13.016 -10.587 -2.949 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 4.387 -2.286 3.746 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 5.120 -2.032 4.307 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 3.607 -2.082 4.261 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 9.587 -2.278 -9.417 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 8.843 -2.785 -9.740 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 9.453 -2.229 -8.471 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 16.737 -3.145 -0.631 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 17.379 -2.688 -1.174 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 15.907 -3.032 -1.093 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 11.107 -2.094 1.820 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 10.761 -2.475 2.626 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 10.907 -1.160 1.891 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 4.712 -2.983 -3.648 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 5.457 -2.985 -4.249 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 4.790 -3.807 -3.166 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 11.713 -0.819 -10.392 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 11.418 0.007 -10.010 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 11.010 -1.439 -10.196 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 8.737 -5.005 3.880 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 8.441 -5.171 2.985 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 9.668 -5.225 3.870 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 13.357 0.368 1.770 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 12.456 0.551 1.502 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 13.391 0.627 2.691 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 19.088 -7.387 -9.863 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 18.534 -7.783 -10.535 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 19.189 -6.477 -10.140 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 7.087 0.535 -6.243 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 7.614 1.308 -6.444 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 6.207 0.760 -6.545 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 2.842 -4.603 -11.656 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 3.458 -3.976 -11.277 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 1.980 -4.287 -11.385 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 8.514 -1.802 -6.667 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 8.273 -0.877 -6.625 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 7.774 -2.261 -6.271 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 9.029 2.347 -0.352 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 9.392 3.202 -0.585 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 9.561 2.055 0.389 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 15.642 -1.952 -9.351 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 15.365 -2.680 -8.795 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 16.569 -1.833 -9.145 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 7.804 0.057 -10.674 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 7.951 -0.463 -9.884 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 7.801 0.964 -10.368 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 4.257 -2.690 -10.164 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 3.571 -2.338 -9.597 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 4.780 -1.927 -10.410 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 12.089 -10.028 0.115 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 12.787 -9.954 0.765 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 11.708 -10.892 0.270 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 16.813 -9.755 2.067 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 15.897 -9.492 1.979 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 17.149 -9.758 1.170 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 15.415 -6.004 -3.837 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 14.618 -6.419 -4.166 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 15.860 -6.695 -3.346 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 4.873 -0.076 -11.267 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 5.465 0.623 -10.991 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 5.332 -0.509 -11.986 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 2.123 -2.267 4.967 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 2.267 -3.169 4.681 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 1.350 -1.981 4.479 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 6.464 -1.923 -12.901 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 6.528 -2.717 -12.370 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 7.117 -2.042 -13.590 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 8.778 -2.297 4.400 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 8.450 -2.026 3.542 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 8.930 -3.238 4.312 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 14.513 -2.381 1.783 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 15.258 -1.793 1.663 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 13.756 -1.799 1.846 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 2.955 -5.067 4.387 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 3.363 -5.924 4.266 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 2.695 -5.052 5.308 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 11.922 -3.587 5.039 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 12.875 -3.503 5.011 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 11.762 -4.298 5.658 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 18.074 -3.353 -12.887 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 17.801 -3.778 -13.700 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 18.114 -2.422 -13.104 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 13.652 -7.079 5.604 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 13.844 -8.010 5.493 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 14.509 -6.654 5.594 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 14.968 -4.290 3.682 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 14.687 -3.581 3.104 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 15.911 -4.363 3.531 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 9.724 -8.555 4.331 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 9.488 -8.775 5.233 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 8.941 -8.762 3.822 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 12.440 -9.428 3.407 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 11.492 -9.396 3.539 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 12.752 -10.053 4.061 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 14.074 -10.794 5.412 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 13.977 -11.746 5.406 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 13.752 -10.525 6.273 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 18.533 -2.484 -8.912 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 19.383 -2.063 -8.784 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 18.538 -3.224 -8.304 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 18.927 -4.431 -7.088 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 18.201 -4.910 -6.690 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 19.508 -4.225 -6.356 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 18.686 -1.646 -2.140 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 19.520 -2.024 -2.421 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 18.798 -0.703 -2.259 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 19.195 -4.530 -10.697 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 18.674 -4.173 -11.416 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 19.162 -3.855 -10.019 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 17.544 -7.290 -12.146 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 17.641 -6.623 -12.826 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 17.404 -8.106 -12.628 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 16.714 -5.910 -6.525 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 16.564 -6.855 -6.545 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 16.360 -5.629 -5.681 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 16.792 -9.882 -13.029 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 17.402 -10.254 -12.392 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 15.955 -10.304 -12.833 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 17.036 -7.746 -2.627 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 17.969 -7.534 -2.661 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 16.801 -7.644 -1.704 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 17.065 -7.009 0.149 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 16.222 -6.741 0.515 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 17.508 -6.187 -0.062 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 18.904 -10.997 -11.486 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 19.317 -11.718 -11.962 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 19.586 -10.327 -11.428 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 1.185 -10.992 -8.359 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 0.260 -10.783 -8.489 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 1.639 -10.508 -9.049 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 2.462 -12.949 -10.381 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 2.901 -12.338 -10.972 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 1.828 -12.411 -9.907 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 13.978 -13.550 5.051 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 14.054 -13.976 5.905 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 14.871 -13.536 4.709 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 6.322 -9.408 14.055 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 6.365 -8.548 13.637 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 5.864 -9.960 13.422 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 14.044 -9.277 12.456 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 14.690 -9.606 13.081 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 14.554 -8.759 11.833 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 8.098 -5.461 14.033 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 8.714 -5.987 14.542 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 7.512 -6.101 13.629 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 15.808 -9.986 14.437 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 15.593 -10.752 14.969 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 16.464 -9.514 14.950 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 9.158 -13.184 15.582 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 9.041 -14.133 15.528 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 8.303 -12.852 15.855 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 11.425 -4.347 10.082 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 10.713 -3.812 9.731 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 12.116 -4.291 9.422 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 11.479 -5.889 7.121 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 12.180 -5.867 7.772 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 11.781 -6.517 6.465 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 13.702 -4.975 8.719 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 14.281 -4.825 9.466 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 14.116 -4.504 7.996 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 17.400 -13.225 8.532 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 16.501 -13.086 8.827 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 17.652 -12.394 8.130 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 6.427 -12.281 16.360 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 5.566 -12.368 15.952 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 6.405 -11.425 16.787 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 6.515 -7.094 12.367 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 5.622 -7.435 12.308 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 6.966 -7.471 11.611 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 12.051 -6.678 11.184 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 11.642 -5.863 10.892 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 12.771 -6.818 10.569 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 13.055 -7.232 13.998 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 12.860 -6.627 13.283 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 13.237 -8.066 13.563 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 2.151 -9.133 8.596 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 2.625 -8.542 8.011 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 1.433 -8.602 8.943 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 9.097 -9.667 13.453 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 8.186 -9.610 13.742 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 9.602 -9.727 14.264 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 3.925 -8.038 12.280 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 3.036 -7.938 11.940 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 4.221 -8.880 11.934 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 7.578 -8.038 9.936 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 8.510 -7.909 10.114 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 7.363 -7.368 9.287 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 13.502 -10.432 16.717 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 12.825 -10.301 17.381 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 13.016 -10.587 15.907 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 6.252 -6.843 7.503 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 5.710 -7.223 6.812 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 7.086 -6.649 7.074 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 10.417 -6.879 15.340 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 10.981 -7.426 14.793 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 10.269 -7.401 16.129 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 5.419 -10.743 11.758 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 5.102 -11.645 11.723 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 6.200 -10.741 11.206 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 13.485 -9.464 7.638 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 12.547 -9.352 7.487 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 13.782 -8.607 7.944 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 14.203 -7.597 9.299 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 15.095 -7.734 9.618 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 14.260 -6.806 8.762 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 2.842 -4.603 7.200 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 3.458 -3.976 7.579 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 1.980 -4.287 7.471 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 3.189 -7.412 6.705 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 3.144 -6.473 6.884 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 2.301 -7.648 6.435 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 3.997 -12.630 15.378 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 3.768 -12.571 14.451 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 3.554 -13.422 15.685 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 8.684 -5.708 6.524 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 8.504 -5.862 5.596 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 9.635 -5.600 6.568 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 16.792 -9.882 5.827 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 17.402 -10.254 6.464 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 15.955 -10.304 6.023 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 16.424 -8.327 10.793 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 16.704 -9.234 10.918 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 17.183 -7.893 10.404 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 17.038 -11.064 10.842 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 17.220 -11.513 11.667 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 16.438 -11.649 10.378 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 1.185 -10.992 10.497 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 0.260 -10.783 10.367 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 1.639 -10.508 9.807 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 11.299 -11.381 14.850 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 10.624 -12.010 15.105 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 11.863 -11.865 14.247 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 3.625 -12.747 12.672 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 2.848 -12.981 12.164 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 4.156 -13.544 12.680 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 13.762 -12.790 14.134 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 13.838 -12.695 13.185 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 13.486 -13.698 14.263 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 15.115 -12.764 9.827 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 14.412 -12.150 9.617 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 14.670 -13.602 9.958 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 23.785 -37.983 -40.391 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 23.415 -38.785 -40.760 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 24.726 -38.152 -40.344 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 24.965 -38.562 -37.364 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 24.959 -37.683 -37.742 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 24.111 -38.645 -36.939 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 26.699 -37.791 -40.970 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 26.604 -38.369 -41.727 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 27.428 -38.162 -40.474 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 26.579 -38.051 -35.301 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 26.267 -37.269 -34.845 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 25.929 -38.204 -35.987 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 23.499 -41.853 -36.072 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 23.569 -41.202 -35.374 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 22.608 -41.750 -36.407 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 24.818 -35.979 -34.537 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 24.826 -36.115 -35.485 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 23.902 -36.097 -34.285 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 20.415 -39.786 -37.247 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 19.914 -39.814 -38.062 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 20.421 -40.692 -36.937 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 20.166 -37.006 -40.363 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 21.112 -37.150 -40.382 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 20.053 -36.222 -39.826 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 23.410 -34.205 -44.218 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 23.562 -34.553 -43.339 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 22.559 -34.561 -44.473 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 22.664 -38.463 -36.204 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 22.881 -38.824 -35.344 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 21.809 -38.837 -36.414 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 23.243 -39.998 -33.966 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 23.976 -39.744 -33.405 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 22.463 -39.794 -33.451 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 20.576 -42.234 -36.045 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 20.799 -42.652 -35.213 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 19.974 -42.847 -36.467 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 27.885 -35.365 -38.064 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 28.248 -34.510 -38.297 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 28.417 -35.657 -37.323 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 25.669 -34.870 -32.079 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 26.437 -35.329 -31.738 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 25.648 -35.096 -33.009 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 20.979 -39.979 -32.745 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 21.123 -40.881 -33.031 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 20.206 -39.693 -33.233 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 19.655 -32.700 -44.483 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 19.008 -33.162 -45.016 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 20.010 -33.372 -43.900 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 20.525 -34.619 -42.678 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 20.191 -35.500 -42.506 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 20.747 -34.274 -41.814 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 20.605 -41.544 -40.227 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 20.789 -41.626 -41.162 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 21.454 -41.668 -39.803 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 25.151 -35.816 -37.324 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 24.726 -35.007 -37.607 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 26.056 -35.731 -37.626 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 25.020 -32.960 -38.247 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 24.155 -32.888 -37.843 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 24.965 -32.413 -39.031 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 24.109 -35.227 -41.711 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 23.890 -36.143 -41.542 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 24.933 -35.087 -41.245 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 26.646 -34.757 -40.863 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 26.859 -35.645 -41.150 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 26.711 -34.791 -39.908 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 23.785 -37.983 -21.535 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 23.415 -38.785 -21.904 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 24.726 -38.152 -21.488 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 24.965 -38.562 -18.508 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 24.959 -37.683 -18.886 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 24.111 -38.645 -18.083 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 26.579 -38.051 -16.445 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 26.267 -37.269 -15.989 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 25.929 -38.204 -17.131 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 23.499 -41.853 -17.216 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 23.569 -41.202 -16.518 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 22.608 -41.750 -17.551 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 24.818 -35.979 -15.681 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 24.826 -36.115 -16.629 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 23.902 -36.097 -15.429 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 20.415 -39.786 -18.391 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 19.914 -39.814 -19.206 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 20.421 -40.692 -18.081 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 23.410 -34.205 -25.362 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 23.562 -34.553 -24.483 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 22.559 -34.561 -25.617 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 22.664 -38.463 -17.348 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 22.881 -38.824 -16.488 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 21.809 -38.837 -17.558 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 23.243 -39.998 -15.110 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 23.976 -39.744 -14.549 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 22.463 -39.794 -14.595 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 20.576 -42.234 -17.189 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 20.799 -42.652 -16.357 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 19.974 -42.847 -17.611 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 21.861 -35.676 -19.196 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 22.078 -36.608 -19.227 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 22.108 -35.402 -18.312 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 23.729 -37.788 -30.123 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 24.321 -37.089 -29.847 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 24.188 -38.221 -30.842 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 21.783 -36.402 -26.173 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 20.951 -35.929 -26.146 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 22.329 -35.892 -26.772 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 25.669 -34.870 -13.223 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 26.437 -35.329 -12.882 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 25.648 -35.096 -14.153 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 20.979 -39.979 -13.889 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 21.123 -40.881 -14.175 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 20.206 -39.693 -14.377 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 25.320 -39.635 -31.757 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 25.384 -40.429 -31.226 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 25.973 -39.754 -32.446 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 21.811 -42.779 -14.469 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 22.219 -43.636 -14.590 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 21.551 -42.764 -13.548 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 21.006 -38.093 -30.704 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 21.920 -38.014 -30.431 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 21.013 -38.780 -31.371 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 19.655 -32.700 -25.627 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 19.008 -33.162 -26.160 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 20.010 -33.372 -25.044 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 20.605 -41.544 -21.371 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 20.789 -41.626 -22.306 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 21.454 -41.668 -20.947 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 25.151 -35.816 -18.468 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 24.726 -35.007 -18.751 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 26.056 -35.731 -18.770 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 22.553 -32.560 -18.421 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 21.833 -32.120 -18.872 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 22.187 -32.811 -17.572 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 25.020 -32.960 -19.391 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 24.155 -32.888 -18.987 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 24.965 -32.413 -20.175 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 24.109 -35.227 -22.855 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 23.890 -36.143 -22.686 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 24.933 -35.087 -22.389 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 26.646 -34.757 -22.007 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 26.859 -35.645 -22.294 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 26.711 -34.791 -21.052 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 21.219 -34.713 -28.339 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 20.534 -34.751 -29.007 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 21.222 -33.800 -28.051 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 23.037 -33.793 -31.314 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 22.769 -33.506 -30.441 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 23.808 -34.339 -31.162 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 23.785 -37.983 -2.679 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 23.415 -38.785 -3.048 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 24.726 -38.152 -2.632 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 20.395 -44.323 -7.286 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 19.947 -43.477 -7.304 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 19.834 -44.903 -7.801 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 21.105 -42.161 -5.160 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 21.319 -42.931 -4.633 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 21.843 -42.072 -5.763 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 24.965 -38.562 0.348 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 24.959 -37.683 -0.030 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 24.111 -38.645 0.773 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 25.332 -41.219 -5.939 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 25.002 -41.589 -6.758 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 25.920 -41.889 -5.593 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 26.699 -37.791 -3.258 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 26.604 -38.369 -4.015 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 27.428 -38.162 -2.762 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 26.579 -38.051 2.411 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 26.267 -37.269 2.867 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 25.929 -38.204 1.725 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 24.818 -35.979 3.175 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 24.826 -36.115 2.227 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 23.902 -36.097 3.427 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 24.322 -42.149 -8.350 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 24.030 -41.381 -8.841 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 23.648 -42.809 -8.513 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 20.415 -39.786 0.465 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 19.914 -39.814 -0.350 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 20.421 -40.692 0.775 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 29.342 -36.766 1.907 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 29.429 -35.940 2.382 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 28.478 -37.096 2.156 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 29.756 -32.994 -8.287 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 29.681 -33.115 -9.233 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 29.789 -32.044 -8.168 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 22.664 -38.463 1.508 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 22.881 -38.824 2.368 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 21.809 -38.837 1.298 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 23.568 -40.695 -3.648 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 24.313 -40.697 -4.249 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 23.646 -41.519 -3.166 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 25.943 -37.177 -6.243 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 26.470 -36.404 -6.444 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 25.063 -36.952 -6.545 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 21.698 -42.315 -11.656 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 22.314 -41.688 -11.277 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 20.836 -41.999 -11.385 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 27.370 -39.514 -6.667 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 27.129 -38.589 -6.625 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 26.630 -39.973 -6.271 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 27.885 -35.365 -0.352 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 28.248 -34.510 -0.585 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 28.417 -35.657 0.389 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 27.723 -37.225 -13.130 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 27.962 -37.973 -13.678 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 27.454 -37.613 -12.298 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 26.660 -37.655 -10.674 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 26.807 -38.175 -9.884 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 26.657 -36.748 -10.368 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 23.113 -40.402 -10.164 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 22.427 -40.050 -9.597 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 23.636 -39.639 -10.410 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 29.398 -35.957 -9.925 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 28.581 -35.460 -9.872 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 29.927 -35.482 -10.565 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 26.736 -34.914 -9.943 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 26.897 -34.114 -10.444 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 26.539 -34.607 -9.058 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 21.072 -33.789 4.013 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 21.612 -34.006 4.772 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 20.591 -34.595 3.823 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 25.669 -34.870 5.633 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 26.437 -35.329 5.974 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 25.648 -35.096 4.703 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 25.320 -39.635 -12.901 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 25.384 -40.429 -12.370 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 25.973 -39.754 -13.590 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 27.438 -32.729 -11.331 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 28.371 -32.571 -11.187 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 27.174 -32.054 -11.956 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 20.605 -41.544 -2.515 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 20.789 -41.626 -3.450 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 21.454 -41.668 -2.091 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 22.197 -36.791 4.129 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 21.376 -36.616 3.669 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 21.945 -36.864 5.050 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 25.151 -35.816 0.388 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 24.726 -35.007 0.105 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 26.056 -35.731 0.086 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 29.462 -34.417 3.347 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 29.647 -34.751 4.225 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 30.309 -34.108 3.025 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 31.807 -33.132 2.591 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 32.484 -33.764 2.351 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 32.129 -32.730 3.399 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 29.731 -33.072 -1.359 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 29.274 -32.543 -2.013 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 29.894 -32.469 -0.634 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 26.646 -34.757 -3.151 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 26.859 -35.645 -3.438 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 26.711 -34.791 -2.196 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 30.083 -33.503 -11.086 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 30.949 -33.137 -11.264 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 29.836 -33.943 -11.899 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 26.736 -34.914 8.913 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 26.897 -34.114 8.412 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 26.539 -34.607 9.798 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 29.761 -35.362 5.864 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 29.117 -35.993 6.186 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 30.523 -35.893 5.632 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 27.438 -32.729 7.525 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 28.371 -32.571 7.669 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 27.174 -32.054 6.900 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 30.083 -33.503 7.770 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 30.949 -33.137 7.592 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 29.836 -33.943 6.957 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 23.037 -33.793 6.398 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 22.769 -33.506 7.271 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 23.808 -34.339 6.550 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 23.785 -19.127 -40.391 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 23.415 -19.929 -40.760 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 24.726 -19.296 -40.344 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 20.395 -25.467 -44.998 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 19.947 -24.621 -45.016 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 19.834 -26.047 -45.513 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 25.178 -28.264 -42.513 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 25.221 -27.404 -42.931 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 24.720 -28.816 -43.146 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 26.954 -24.317 -42.535 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 27.570 -24.843 -42.026 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 26.368 -24.957 -42.939 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 26.557 -21.670 -38.151 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 25.817 -21.072 -38.048 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 27.271 -21.116 -38.467 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 24.965 -19.706 -37.364 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 24.959 -18.827 -37.742 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 24.111 -19.789 -36.939 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 21.086 -20.035 -46.582 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 20.814 -19.806 -47.471 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 21.131 -19.197 -46.122 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 28.014 -32.040 -40.986 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 27.897 -32.989 -41.040 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 27.159 -31.708 -40.713 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 25.332 -22.363 -43.651 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 25.002 -22.733 -44.470 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 25.920 -23.033 -43.305 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 25.699 -23.594 -40.018 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 26.264 -23.473 -40.781 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 26.018 -22.957 -39.379 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 26.579 -19.195 -35.301 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 26.267 -18.413 -34.845 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 25.929 -19.348 -35.987 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 24.818 -17.123 -34.537 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 24.826 -17.259 -35.485 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 23.902 -17.241 -34.285 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 24.322 -23.293 -46.062 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 24.030 -22.525 -46.553 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 23.648 -23.953 -46.225 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 20.166 -18.150 -40.363 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 21.112 -18.294 -40.382 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 20.053 -17.366 -39.826 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 25.283 -31.137 -40.208 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 24.422 -31.224 -40.616 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 25.261 -30.281 -39.781 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 25.374 -26.171 -39.113 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 24.732 -26.212 -38.404 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 25.411 -25.245 -39.351 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 25.371 -25.950 -44.201 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 24.478 -26.291 -44.260 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 25.822 -26.327 -44.957 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 19.732 -28.735 -43.396 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 20.363 -28.764 -42.676 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 20.182 -29.160 -44.126 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 22.781 -26.894 -44.288 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 21.892 -26.794 -44.628 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 23.077 -27.736 -44.634 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 24.275 -29.599 -44.810 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 23.958 -30.501 -44.845 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 25.056 -29.597 -45.362 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 27.899 -27.347 -38.814 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 27.064 -26.893 -38.704 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 28.423 -27.071 -38.062 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 23.568 -21.839 -41.360 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 24.313 -21.841 -41.961 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 23.646 -22.663 -40.878 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 27.593 -23.861 -33.832 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 27.297 -24.027 -34.727 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 28.524 -24.081 -33.842 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 21.861 -16.820 -38.052 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 22.078 -17.752 -38.083 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 22.108 -16.546 -37.168 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 21.783 -17.546 -45.029 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 20.951 -17.073 -45.002 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 22.329 -17.036 -45.628 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 21.072 -14.933 -33.699 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 21.612 -15.150 -32.940 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 20.591 -15.739 -33.889 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 25.669 -16.014 -32.079 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 26.437 -16.473 -31.738 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 25.648 -16.240 -33.009 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 27.634 -21.153 -33.312 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 27.306 -20.882 -34.170 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 27.786 -22.094 -33.400 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 25.758 -24.914 -35.951 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 25.140 -24.239 -35.670 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 26.102 -24.593 -36.784 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 26.098 -27.559 -34.868 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 26.248 -28.288 -35.471 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 26.100 -26.782 -35.427 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 26.510 -29.189 -37.376 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 27.046 -28.738 -38.028 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 25.658 -29.297 -37.798 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 24.576 -26.361 -32.957 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 23.809 -26.893 -33.167 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 25.255 -26.671 -33.556 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 27.316 -31.733 -36.944 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 27.218 -30.786 -37.050 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 26.573 -32.105 -37.420 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 27.538 -32.439 -34.273 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 28.250 -33.079 -34.287 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 27.437 -32.172 -35.187 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 27.891 -30.756 -32.219 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 27.760 -31.232 -33.040 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 27.292 -30.012 -32.275 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 20.525 -15.763 -42.678 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 20.191 -16.644 -42.506 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 20.747 -15.418 -41.814 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 20.041 -29.848 -46.071 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 19.116 -29.639 -46.201 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 20.495 -29.364 -46.761 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 22.197 -17.935 -33.583 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 21.376 -17.760 -34.043 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 21.945 -18.008 -32.662 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 25.151 -16.960 -37.324 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 24.726 -16.151 -37.607 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 26.056 -16.875 -37.626 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 22.553 -13.704 -37.277 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 21.833 -13.264 -37.728 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 22.187 -13.955 -36.428 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 21.968 -15.081 -40.366 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 21.949 -15.506 -39.509 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 22.773 -15.399 -40.775 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 22.481 -31.603 -43.896 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 21.704 -31.837 -44.404 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 23.012 -32.400 -43.888 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 24.412 -31.738 -32.843 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 25.311 -32.012 -33.028 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 24.026 -32.481 -32.379 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 22.861 -23.577 -20.070 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 22.903 -24.203 -19.346 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 23.564 -22.954 -19.888 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 20.395 -25.467 -26.142 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 19.947 -24.621 -26.160 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 19.834 -26.047 -26.657 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 21.105 -23.305 -24.016 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 21.319 -24.075 -23.489 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 21.843 -23.216 -24.619 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 21.798 -25.867 -22.895 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 22.452 -26.417 -22.463 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 21.822 -26.141 -23.811 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 23.988 -29.346 -19.583 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 23.769 -28.816 -20.349 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 23.320 -29.119 -18.935 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 23.582 -27.454 -21.630 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 24.195 -26.821 -21.257 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 24.094 -27.926 -22.287 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 21.086 -20.035 -27.726 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 20.814 -19.806 -28.615 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 21.131 -19.197 -27.266 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 23.499 -22.997 -17.216 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 23.569 -22.346 -16.518 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 22.608 -22.894 -17.551 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 24.322 -23.293 -27.206 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 24.030 -22.525 -27.697 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 23.648 -23.953 -27.369 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 20.415 -20.930 -18.391 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 19.914 -20.958 -19.206 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 20.421 -21.836 -18.081 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 20.166 -18.150 -21.507 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 21.112 -18.294 -21.526 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 20.053 -17.366 -20.970 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 22.664 -19.607 -17.348 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 22.881 -19.968 -16.488 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 21.809 -19.981 -17.558 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 25.283 -31.137 -21.352 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 24.422 -31.224 -21.760 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 25.261 -30.281 -20.925 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 25.374 -26.171 -20.257 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 24.732 -26.212 -19.548 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 25.411 -25.245 -20.495 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 30.009 -25.359 -15.040 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 29.446 -26.063 -14.720 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 30.835 -25.479 -14.573 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 23.124 -25.851 -18.390 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 23.086 -25.451 -17.522 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 22.633 -26.668 -18.300 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 26.490 -28.477 -31.592 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 26.059 -28.922 -30.862 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 25.772 -28.105 -32.104 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 19.732 -28.735 -24.540 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 20.363 -28.764 -23.820 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 20.182 -29.160 -25.270 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 21.007 -27.989 -29.116 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 21.481 -27.398 -29.701 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 20.289 -27.458 -28.769 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 22.781 -26.894 -25.432 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 21.892 -26.794 -25.772 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 23.077 -27.736 -25.778 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 25.108 -25.699 -30.209 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 24.566 -26.079 -30.900 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 25.942 -25.505 -30.638 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 23.243 -21.142 -15.110 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 23.976 -20.888 -14.549 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 22.463 -20.938 -14.595 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 27.593 -23.861 -14.976 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 27.297 -24.027 -15.871 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 28.524 -24.081 -14.986 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 21.698 -23.459 -30.512 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 22.314 -22.832 -30.133 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 20.836 -23.143 -30.241 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 21.861 -16.820 -19.196 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 22.078 -17.752 -19.227 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 22.108 -16.546 -18.312 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 23.113 -21.546 -29.020 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 22.427 -21.194 -28.453 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 23.636 -20.783 -29.266 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 29.465 -26.518 -17.624 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 29.584 -25.944 -16.867 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 30.120 -27.206 -17.509 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 25.470 -29.360 -29.183 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 25.387 -28.471 -28.837 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 26.360 -29.625 -28.952 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 23.729 -18.932 -30.123 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 24.321 -18.233 -29.847 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 24.188 -19.365 -30.842 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 22.853 -31.486 -22.334 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 22.624 -31.427 -23.261 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 22.410 -32.278 -22.027 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 21.783 -17.546 -26.173 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 20.951 -17.073 -26.146 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 22.329 -17.036 -26.772 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 21.072 -14.933 -14.843 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 21.612 -15.150 -14.084 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 20.591 -15.739 -15.033 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 20.979 -21.123 -13.889 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 21.123 -22.025 -14.175 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 20.206 -20.837 -14.377 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 25.320 -20.779 -31.757 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 25.384 -21.573 -31.226 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 25.973 -20.898 -32.446 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 27.634 -21.153 -14.456 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 27.306 -20.882 -15.314 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 27.786 -22.094 -14.544 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 21.811 -23.923 -14.469 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 22.219 -24.780 -14.590 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 21.551 -23.908 -13.548 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 25.758 -24.914 -17.095 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 25.140 -24.239 -16.814 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 26.102 -24.593 -17.928 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 30.778 -22.443 -13.817 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 31.731 -22.359 -13.845 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 30.618 -23.154 -13.198 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 26.098 -27.559 -16.012 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 26.248 -28.288 -16.615 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 26.100 -26.782 -16.571 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 26.510 -29.189 -18.520 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 27.046 -28.738 -19.172 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 25.658 -29.297 -18.942 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 27.316 -31.733 -18.088 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 27.218 -30.786 -18.194 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 26.573 -32.105 -18.564 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 28.580 -27.411 -14.525 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 28.344 -27.631 -13.623 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 27.797 -27.618 -15.034 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 31.296 -28.284 -15.449 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 30.348 -28.252 -15.317 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 31.608 -28.909 -14.795 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 27.538 -32.439 -15.417 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 28.250 -33.079 -15.431 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 27.437 -32.172 -16.331 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 19.655 -13.844 -25.627 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 19.008 -14.306 -26.160 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 20.010 -14.516 -25.044 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 20.605 -22.688 -21.371 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 20.789 -22.770 -22.306 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 21.454 -22.812 -20.947 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 21.424 -29.105 -22.339 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 21.869 -29.897 -22.037 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 21.890 -28.389 -21.908 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 20.041 -29.848 -27.215 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 19.116 -29.639 -27.345 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 20.495 -29.364 -27.905 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 22.197 -17.935 -14.727 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 21.376 -17.760 -15.187 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 21.945 -18.008 -13.806 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 22.481 -31.603 -25.040 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 21.704 -31.837 -25.548 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 23.012 -32.400 -25.032 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 21.318 -31.805 -29.237 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 21.757 -31.194 -29.828 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 20.684 -31.267 -28.763 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 21.219 -15.857 -28.339 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 20.534 -15.895 -29.007 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 21.222 -14.944 -28.051 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 23.179 -29.889 -30.794 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 23.670 -30.519 -31.322 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 23.802 -29.593 -30.131 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 24.412 -31.738 -13.987 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 25.311 -32.012 -14.172 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 24.026 -32.481 -13.523 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 23.037 -14.937 -31.314 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 22.769 -14.650 -30.441 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 23.808 -15.483 -31.162 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 31.560 -22.447 -6.226 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 31.649 -21.503 -6.358 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 30.921 -22.722 -6.884 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 30.493 -23.192 -2.807 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 30.455 -23.838 -2.102 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 30.170 -23.658 -3.578 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 23.785 -19.127 -2.679 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 23.415 -19.929 -3.048 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 24.726 -19.296 -2.632 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 28.882 -20.759 -2.401 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 29.186 -21.445 -2.995 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 29.604 -20.641 -1.783 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 32.023 -26.365 -2.073 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 32.166 -27.312 -2.053 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 31.917 -26.158 -3.002 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 32.900 -28.133 -6.400 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 33.546 -28.462 -5.775 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 33.410 -27.615 -7.023 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 26.557 -21.670 -0.439 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 25.817 -21.072 -0.336 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 27.271 -21.116 -0.755 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 24.965 -19.706 0.348 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 24.959 -18.827 -0.030 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 24.111 -19.789 0.773 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 21.086 -20.035 -8.870 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 20.814 -19.806 -9.759 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 21.131 -19.197 -8.410 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 28.014 -32.040 -3.274 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 27.897 -32.989 -3.328 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 27.159 -31.708 -3.001 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 30.281 -23.203 -8.774 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 29.569 -22.668 -9.125 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 30.972 -23.147 -9.434 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 30.335 -24.745 -11.735 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 31.036 -24.723 -11.084 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 30.637 -25.373 -12.391 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 33.584 -24.819 1.246 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 33.664 -24.056 1.818 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 32.983 -24.540 0.555 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 26.699 -18.935 -3.258 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 26.604 -19.513 -4.015 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 27.428 -19.306 -2.762 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 26.579 -19.195 2.411 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 26.267 -18.413 2.867 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 25.929 -19.348 1.725 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 23.499 -22.997 1.640 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 23.569 -22.346 2.338 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 22.608 -22.894 1.305 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 24.322 -23.293 -8.350 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 24.030 -22.525 -8.841 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 23.648 -23.953 -8.513 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 20.415 -20.930 0.465 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 19.914 -20.958 -0.350 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 20.421 -21.836 0.775 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 20.166 -18.150 -2.651 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 21.112 -18.294 -2.670 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 20.053 -17.366 -2.114 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 23.410 -15.349 -6.506 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 23.562 -15.697 -5.627 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 22.559 -15.705 -6.761 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 22.664 -19.607 1.508 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 22.881 -19.968 2.368 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 21.809 -19.981 1.298 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 29.946 -31.415 0.878 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 30.366 -31.830 1.631 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 29.013 -31.593 0.995 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 33.272 -27.659 1.732 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 32.758 -27.785 2.529 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 33.117 -26.747 1.487 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 29.608 -28.922 -11.837 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 29.354 -28.903 -10.914 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 29.351 -29.794 -12.138 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 30.907 -25.534 -7.672 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 30.498 -24.719 -7.964 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 31.627 -25.674 -8.287 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 30.009 -25.359 3.816 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 29.446 -26.063 4.136 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 30.835 -25.479 4.283 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 31.911 -26.088 -4.858 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 31.716 -25.483 -5.573 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 32.093 -26.922 -5.293 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 31.175 -24.450 -0.187 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 31.499 -25.081 -0.830 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 30.735 -24.985 0.474 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 32.358 -29.288 -2.139 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 31.681 -29.157 -1.475 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 31.872 -29.443 -2.949 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 23.243 -21.142 3.746 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 23.976 -20.888 4.307 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 22.463 -20.938 4.261 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 28.443 -21.134 -9.417 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 27.699 -21.641 -9.740 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 28.309 -21.085 -8.471 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 32.341 -28.320 -11.218 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 31.403 -28.208 -11.369 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 32.638 -27.463 -10.912 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 29.963 -20.950 1.820 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 29.617 -21.331 2.626 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 29.763 -20.016 1.891 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 33.059 -26.453 -9.557 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 33.951 -26.590 -9.238 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 33.116 -25.662 -10.094 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 20.576 -23.378 1.667 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 20.799 -23.796 2.499 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 19.974 -23.991 1.245 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 27.593 -23.861 3.880 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 27.297 -24.027 2.985 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 28.524 -24.081 3.870 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 33.400 -22.649 -2.376 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 32.472 -22.881 -2.403 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 33.851 -23.426 -2.706 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 25.943 -18.321 -6.243 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 26.470 -17.548 -6.444 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 25.063 -18.096 -6.545 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 27.370 -20.658 -6.667 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 27.129 -19.733 -6.625 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 26.630 -21.117 -6.271 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 31.429 -20.410 -0.651 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 31.003 -20.637 0.175 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 32.010 -21.148 -0.834 0.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 21.861 -16.820 -0.340 0.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 22.078 -17.752 -0.371 0.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 22.108 -16.546 0.544 0.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 26.660 -18.799 -10.674 0.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 26.807 -19.319 -9.884 0.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 26.657 -17.892 -10.368 0.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 23.113 -21.546 -10.164 0.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 22.427 -21.194 -9.597 0.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 23.636 -20.783 -10.410 0.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 30.945 -28.884 0.115 0.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 31.643 -28.810 0.765 0.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 30.564 -29.748 0.270 0.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 31.729 -29.232 -8.788 0.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 31.949 -28.760 -9.591 0.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 32.287 -28.837 -8.117 0.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 28.929 -27.504 -7.953 0.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 29.741 -27.000 -7.907 0.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 28.684 -27.649 -7.039 0.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 29.465 -26.518 1.232 0.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 29.584 -25.944 1.989 0.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 30.120 -27.206 1.347 0.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 29.813 -30.423 -7.015 0.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 29.466 -29.805 -6.370 0.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 30.471 -29.922 -7.496 0.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 34.271 -24.860 -3.837 0.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 33.474 -25.275 -4.166 0.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 34.716 -25.551 -3.346 0.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 23.729 -18.932 -11.267 0.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 24.321 -18.233 -10.991 0.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 24.188 -19.365 -11.986 0.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 21.783 -17.546 -7.317 0.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 20.951 -17.073 -7.290 0.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 22.329 -17.036 -7.916 0.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 25.320 -20.779 -12.901 0.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 25.384 -21.573 -12.370 0.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 25.973 -20.898 -13.590 0.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 21.811 -23.923 4.387 0.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 22.219 -24.780 4.266 0.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 21.551 -23.908 5.308 0.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 26.469 -22.807 -10.595 0.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 26.010 -23.291 -9.909 0.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 26.724 -23.475 -11.231 0.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 28.092 -23.750 0.576 0.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 28.843 -23.906 0.003 0.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 27.753 -22.898 0.300 0.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 28.580 -27.411 4.331 0.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 28.344 -27.631 5.233 0.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 27.797 -27.618 3.822 0.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 31.296 -28.284 3.407 0.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 30.348 -28.252 3.539 0.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 31.608 -28.909 4.061 0.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 21.006 -19.237 -11.848 0.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 21.920 -19.158 -11.575 0.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 21.013 -19.924 -12.515 0.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 19.655 -13.844 -6.771 0.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 19.008 -14.306 -7.304 0.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 20.010 -14.516 -6.188 0.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 20.525 -15.763 -4.966 0.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 20.191 -16.644 -4.794 0.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 20.747 -15.418 -4.102 0.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 20.203 -27.417 3.626 0.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 21.122 -27.539 3.862 0.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 19.753 -28.167 4.015 0.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 25.151 -16.960 0.388 0.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 24.726 -16.151 0.105 0.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 26.056 -16.875 0.086 0.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 21.968 -15.081 -2.654 0.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 21.949 -15.506 -1.797 0.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 22.773 -15.399 -3.063 0.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 24.109 -16.371 -3.999 0.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 23.890 -17.287 -3.830 0.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 24.933 -16.231 -3.533 0.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 30.155 -30.237 -4.006 0.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 29.480 -30.866 -3.751 0.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 30.719 -30.721 -4.609 0.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 27.061 -31.676 -6.371 0.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 27.935 -31.288 -6.401 0.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 26.925 -31.891 -5.448 0.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 32.618 -31.646 -4.722 0.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 32.694 -31.551 -5.671 0.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 32.342 -32.554 -4.593 0.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 21.219 -15.857 -9.483 0.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 20.534 -15.895 -10.151 0.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 21.222 -14.944 -9.195 0.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 30.335 -24.745 7.121 0.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 31.036 -24.723 7.772 0.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 30.637 -25.373 6.465 0.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 29.608 -28.922 7.019 0.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 29.354 -28.903 7.942 0.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 29.351 -29.794 6.718 0.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 21.007 -27.989 8.596 0.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 21.481 -27.398 8.011 0.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 20.289 -27.458 8.943 0.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 26.434 -26.894 9.936 0.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 27.366 -26.765 10.114 0.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 26.219 -26.224 9.287 0.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 25.108 -25.699 7.503 0.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 24.566 -26.079 6.812 0.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 25.942 -25.505 7.074 0.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 21.698 -23.459 7.200 0.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 22.314 -22.832 7.579 0.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 20.836 -23.143 7.471 0.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 25.470 -29.360 8.529 0.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 25.387 -28.471 8.875 0.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 26.360 -29.625 8.760 0.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 22.045 -26.268 6.705 0.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 22.000 -25.329 6.884 0.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 21.157 -26.504 6.435 0.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 27.540 -24.564 6.524 0.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 27.360 -24.718 5.596 0.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 28.491 -24.456 6.568 0.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 21.318 -31.805 8.475 0.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 21.757 -31.194 7.884 0.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 20.684 -31.267 8.949 0.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 28.205 -29.596 9.375 0.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 28.383 -30.242 10.058 0.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 28.151 -28.762 9.842 0.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 20.576 -4.522 -36.045 0.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 20.799 -4.940 -35.213 0.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 19.974 -5.135 -36.467 0.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 22.210 -9.769 -36.487 0.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 21.317 -9.430 -36.554 0.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 22.111 -10.624 -36.069 0.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 22.757 -9.584 -33.252 0.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 22.968 -10.291 -33.863 0.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 22.645 -10.022 -32.408 0.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 20.203 -8.561 -34.086 0.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 21.122 -8.683 -33.850 0.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 19.753 -9.311 -33.697 0.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 21.424 -10.249 -41.195 0.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 21.869 -11.041 -40.893 0.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 21.890 -9.533 -40.764 0.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 19.728 -7.250 -40.126 0.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 20.220 -7.471 -40.916 0.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 20.090 -6.409 -39.845 0.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 20.005 -12.254 -37.727 0.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 19.340 -12.500 -37.084 0.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 19.562 -11.632 -38.304 0.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 22.439 -12.233 -34.379 0.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 22.073 -12.998 -33.936 0.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 23.352 -12.204 -34.092 0.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 24.412 -12.882 -32.843 0.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 25.311 -13.156 -33.028 0.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 24.026 -13.625 -32.379 0.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 21.007 -9.133 -29.116 0.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 21.481 -8.542 -29.701 0.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 20.289 -8.602 -28.769 0.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 20.203 -8.561 -15.230 0.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 21.122 -8.683 -14.994 0.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 19.753 -9.311 -14.841 0.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 19.728 -7.250 -21.270 0.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 20.220 -7.471 -22.060 0.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 20.090 -6.409 -20.989 0.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 20.041 -10.992 -27.215 0.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 19.116 -10.783 -27.345 0.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 20.495 -10.508 -27.905 0.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 20.005 -12.254 -18.871 0.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 19.340 -12.500 -18.228 0.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 19.562 -11.632 -19.448 0.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 21.318 -12.949 -29.237 0.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 21.757 -12.338 -29.828 0.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 20.684 -12.411 -28.763 0.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 23.179 -11.033 -30.794 0.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 23.670 -11.663 -31.322 0.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 23.802 -10.737 -30.131 0.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 20.395 -6.611 -7.286 0.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 19.947 -5.765 -7.304 0.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 19.834 -7.191 -7.801 0.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 21.105 -4.449 -5.160 0.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 21.319 -5.219 -4.633 0.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 21.843 -4.360 -5.763 0.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 21.798 -7.011 -4.039 0.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 22.452 -7.561 -3.607 0.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 21.822 -7.285 -4.955 0.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 19.732 -9.879 -5.684 0.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 20.363 -9.908 -4.964 0.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 20.182 -10.304 -6.414 0.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 21.007 -9.133 -10.260 0.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 21.481 -8.542 -10.845 0.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 20.289 -8.602 -9.913 0.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 22.781 -8.038 -6.576 0.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 21.892 -7.938 -6.916 0.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 23.077 -8.880 -6.922 0.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 22.045 -7.412 -12.151 0.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 22.000 -6.473 -11.972 0.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 21.157 -7.648 -12.421 0.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 21.424 -10.249 -3.483 0.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 21.869 -11.041 -3.181 0.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 21.890 -9.533 -3.052 0.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 19.728 -7.250 -2.414 0.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 20.220 -7.471 -3.204 0.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 20.090 -6.409 -2.133 0.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 20.041 -10.992 -8.359 0.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 19.116 -10.783 -8.489 0.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 20.495 -10.508 -9.049 0.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 22.481 -12.747 -6.184 0.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 21.704 -12.981 -6.692 0.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 23.012 -13.544 -6.176 0.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 21.318 -12.949 -10.381 0.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 21.757 -12.338 -10.972 0.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 20.684 -12.411 -9.907 0.00 0.00 WAT1 END