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 -9.758 -17.026 -8.830 1.00 33.44 ATOM 2 CB MET 1 -10.048 -18.110 -10.652 1.00 41.11 ATOM 3 HB1 MET 1 -9.519 -18.948 -10.219 1.00 37.13 ATOM 4 HB2 MET 1 -9.756 -18.007 -11.691 1.00 43.44 ATOM 5 CG MET 1 -11.541 -18.390 -10.614 1.00 15.21 ATOM 6 HG1 MET 1 -12.007 -17.865 -11.435 1.00 37.13 ATOM 7 HG2 MET 1 -11.955 -18.028 -9.681 1.00 24.22 ATOM 8 SD MET 1 -11.923 -20.145 -10.771 1.00 54.02 ATOM 9 CE MET 1 -12.005 -20.629 -9.049 1.00 24.43 ATOM 10 HE1 MET 1 -11.054 -20.435 -8.575 1.00 32.02 ATOM 11 HE2 MET 1 -12.232 -21.683 -8.982 1.00 35.34 ATOM 12 HE3 MET 1 -12.778 -20.062 -8.552 1.00 31.15 ATOM 13 C MET 1 -8.180 -16.516 -10.171 1.00 34.44 ATOM 14 O MET 1 -7.867 -15.459 -10.716 1.00 12.02 ATOM 15 N MET 1 -10.508 -15.733 -10.258 1.00 0.03 ATOM 16 HT1 MET 1 -10.530 -15.606 -11.293 1.00 37.13 ATOM 17 HT2 MET 1 -10.160 -14.849 -9.827 1.00 37.13 ATOM 18 HT3 MET 1 -11.478 -15.890 -9.919 1.00 37.13 ATOM 19 CA MET 1 -9.643 -16.847 -9.889 1.00 65.41 ATOM 20 N GLY 2 -7.289 -17.428 -9.795 1.00 25.23 ATOM 21 HN GLY 2 -7.587 -18.260 -9.362 1.00 37.13 ATOM 22 CA GLY 2 -5.870 -17.214 -10.015 1.00 13.41 ATOM 23 HA1 GLY 2 -5.717 -16.543 -10.852 1.00 37.13 ATOM 24 HA2 GLY 2 -5.423 -18.167 -10.262 1.00 70.51 ATOM 25 C GLY 2 -5.174 -16.641 -8.796 1.00 33.51 ATOM 26 O GLY 2 -5.644 -15.670 -8.202 1.00 75.42 ATOM 27 N HIS 3 -4.051 -17.245 -8.420 1.00 12.01 ATOM 28 HN HIS 3 -3.727 -18.027 -8.928 1.00 37.13 ATOM 29 CA HIS 3 -3.289 -16.790 -7.262 1.00 55.12 ATOM 30 HA HIS 3 -3.271 -15.705 -7.284 1.00 45.34 ATOM 31 CB HIS 3 -3.958 -17.259 -5.969 1.00 45.23 ATOM 32 HB1 HIS 3 -3.751 -18.309 -5.806 1.00 37.13 ATOM 33 HB2 HIS 3 -5.027 -17.123 -6.057 1.00 42.23 ATOM 34 CG HIS 3 -3.509 -16.504 -4.756 1.00 30.44 ATOM 35 ND1 HIS 3 -3.426 -17.075 -3.503 1.00 44.01 ATOM 36 HD1 HIS 3 -3.645 -18.004 -3.281 1.00 53.55 ATOM 37 CD2 HIS 3 -3.116 -15.217 -4.608 1.00 74.51 ATOM 38 HD2 HIS 3 -3.057 -14.471 -5.389 1.00 33.10 ATOM 39 CE1 HIS 3 -3.003 -16.171 -2.637 1.00 62.23 ATOM 40 HE1 HIS 3 -2.843 -16.333 -1.581 1.00 13.33 ATOM 41 NE2 HIS 3 -2.807 -15.035 -3.283 1.00 33.44 ATOM 42 HE2 HIS 3 -2.581 -14.178 -2.864 1.00 37.13 ATOM 43 C HIS 3 -1.853 -17.302 -7.321 1.00 54.23 ATOM 44 O HIS 3 -1.600 -18.422 -7.767 1.00 55.53 ATOM 45 N HIS 4 -0.916 -16.475 -6.869 1.00 52.55 ATOM 46 HN HIS 4 -1.179 -15.592 -6.517 1.00 37.13 ATOM 47 CA HIS 4 0.495 -16.844 -6.871 1.00 51.33 ATOM 48 HA HIS 4 0.697 -17.410 -7.775 1.00 43.11 ATOM 49 CB HIS 4 1.372 -15.591 -6.888 1.00 35.15 ATOM 50 HB1 HIS 4 2.407 -15.885 -6.997 1.00 37.13 ATOM 51 HB2 HIS 4 1.252 -15.057 -5.954 1.00 62.04 ATOM 52 CG HIS 4 1.045 -14.646 -8.002 1.00 52.23 ATOM 53 ND1 HIS 4 0.982 -15.034 -9.324 1.00 12.20 ATOM 54 HD1 HIS 4 1.140 -15.940 -9.663 1.00 35.13 ATOM 55 CD2 HIS 4 0.760 -13.323 -7.986 1.00 43.52 ATOM 56 HD2 HIS 4 0.718 -12.687 -7.113 1.00 20.53 ATOM 57 CE1 HIS 4 0.674 -13.990 -10.073 1.00 4.22 ATOM 58 HE1 HIS 4 0.555 -13.995 -11.146 1.00 60.11 ATOM 59 NE2 HIS 4 0.534 -12.939 -9.285 1.00 42.22 ATOM 60 HE2 HIS 4 0.399 -12.018 -9.591 1.00 37.13 ATOM 61 C HIS 4 0.834 -17.701 -5.655 1.00 51.43 ATOM 62 O HIS 4 0.864 -17.210 -4.526 1.00 41.12 ATOM 63 N HIS 5 1.088 -18.984 -5.893 1.00 54.54 ATOM 64 HN HIS 5 1.058 -19.319 -6.821 1.00 37.13 ATOM 65 CA HIS 5 1.424 -19.909 -4.817 1.00 42.23 ATOM 66 HA HIS 5 0.732 -19.747 -3.997 1.00 22.42 ATOM 67 CB HIS 5 1.294 -21.354 -5.299 1.00 43.15 ATOM 68 HB1 HIS 5 1.784 -22.019 -4.597 1.00 37.13 ATOM 69 HB2 HIS 5 1.768 -21.450 -6.264 1.00 21.05 ATOM 70 CG HIS 5 -0.124 -21.814 -5.437 1.00 33.31 ATOM 71 ND1 HIS 5 -0.470 -23.129 -5.670 1.00 43.44 ATOM 72 HD1 HIS 5 0.156 -23.877 -5.768 1.00 1.34 ATOM 73 CD2 HIS 5 -1.288 -21.127 -5.371 1.00 14.05 ATOM 74 HD2 HIS 5 -1.396 -20.065 -5.198 1.00 31.44 ATOM 75 CE1 HIS 5 -1.785 -23.230 -5.744 1.00 2.44 ATOM 76 HE1 HIS 5 -2.340 -24.140 -5.920 1.00 55.53 ATOM 77 NE2 HIS 5 -2.306 -22.029 -5.564 1.00 45.05 ATOM 78 HE2 HIS 5 -3.254 -21.804 -5.665 1.00 37.13 ATOM 79 C HIS 5 2.839 -19.656 -4.306 1.00 43.11 ATOM 80 O HIS 5 3.148 -19.923 -3.144 1.00 53.12 ATOM 81 N HIS 6 3.696 -19.140 -5.182 1.00 24.14 ATOM 82 HN HIS 6 3.413 -18.954 -6.104 1.00 37.13 ATOM 83 CA HIS 6 5.079 -18.851 -4.819 1.00 22.44 ATOM 84 HA HIS 6 5.246 -19.162 -3.793 1.00 74.32 ATOM 85 CB HIS 6 6.039 -19.619 -5.728 1.00 75.34 ATOM 86 HB1 HIS 6 6.159 -19.095 -6.668 1.00 37.13 ATOM 87 HB2 HIS 6 5.628 -20.599 -5.925 1.00 54.34 ATOM 88 CG HIS 6 7.398 -19.819 -5.133 1.00 22.02 ATOM 89 ND1 HIS 6 8.505 -19.095 -5.523 1.00 54.33 ATOM 90 HD1 HIS 6 8.519 -18.396 -6.210 1.00 42.44 ATOM 91 CD2 HIS 6 7.826 -20.667 -4.168 1.00 44.33 ATOM 92 HD2 HIS 6 7.222 -21.387 -3.633 1.00 14.01 ATOM 93 CE1 HIS 6 9.555 -19.489 -4.826 1.00 70.30 ATOM 94 HE1 HIS 6 10.557 -19.098 -4.918 1.00 34.53 ATOM 95 NE2 HIS 6 9.170 -20.442 -3.996 1.00 62.33 ATOM 96 HE2 HIS 6 9.730 -20.845 -3.300 1.00 37.13 ATOM 97 C HIS 6 5.363 -17.355 -4.908 1.00 2.04 ATOM 98 O HIS 6 4.620 -16.609 -5.546 1.00 3.51 ATOM 99 N HIS 7 6.442 -16.923 -4.263 1.00 3.22 ATOM 100 HN HIS 7 6.986 -17.556 -3.741 1.00 37.13 ATOM 101 CA HIS 7 6.824 -15.515 -4.269 1.00 61.11 ATOM 102 HA HIS 7 6.299 -15.021 -5.077 1.00 73.01 ATOM 103 CB HIS 7 6.453 -14.858 -2.939 1.00 73.24 ATOM 104 HB1 HIS 7 7.248 -15.000 -2.218 1.00 37.13 ATOM 105 HB2 HIS 7 5.552 -15.318 -2.557 1.00 32.15 ATOM 106 CG HIS 7 6.187 -13.388 -3.051 1.00 23.40 ATOM 107 ND1 HIS 7 6.500 -12.489 -2.053 1.00 61.24 ATOM 108 HD1 HIS 7 6.914 -12.709 -1.193 1.00 40.15 ATOM 109 CD2 HIS 7 5.637 -12.662 -4.051 1.00 53.44 ATOM 110 HD2 HIS 7 5.274 -13.044 -4.995 1.00 14.23 ATOM 111 CE1 HIS 7 6.152 -11.273 -2.435 1.00 33.34 ATOM 112 HE1 HIS 7 6.278 -10.369 -1.857 1.00 10.40 ATOM 113 NE2 HIS 7 5.626 -11.350 -3.644 1.00 33.33 ATOM 114 HE2 HIS 7 5.196 -10.610 -4.121 1.00 37.13 ATOM 115 C HIS 7 8.320 -15.359 -4.527 1.00 32.01 ATOM 116 O HIS 7 9.079 -16.326 -4.445 1.00 15.40 ATOM 117 N HIS 8 8.737 -14.136 -4.839 1.00 62.35 ATOM 118 HN HIS 8 8.096 -13.402 -4.918 1.00 37.13 ATOM 119 CA HIS 8 10.142 -13.854 -5.110 1.00 5.14 ATOM 120 HA HIS 8 10.210 -12.845 -5.492 1.00 74.05 ATOM 121 CB HIS 8 10.963 -13.965 -3.824 1.00 51.32 ATOM 122 HB1 HIS 8 12.020 -13.963 -4.063 1.00 37.13 ATOM 123 HB2 HIS 8 10.720 -14.885 -3.318 1.00 62.23 ATOM 124 CG HIS 8 10.728 -12.839 -2.865 1.00 5.50 ATOM 125 ND1 HIS 8 11.514 -12.622 -1.752 1.00 53.35 ATOM 126 HD1 HIS 8 12.283 -13.165 -1.480 1.00 1.42 ATOM 127 CD2 HIS 8 9.791 -11.863 -2.858 1.00 14.52 ATOM 128 HD2 HIS 8 9.006 -11.723 -3.588 1.00 43.43 ATOM 129 CE1 HIS 8 11.068 -11.562 -1.101 1.00 60.14 ATOM 130 HE1 HIS 8 11.487 -11.156 -0.192 1.00 24.13 ATOM 131 NE2 HIS 8 10.023 -11.083 -1.752 1.00 2.43 ATOM 132 HE2 HIS 8 9.447 -10.356 -1.438 1.00 37.13 ATOM 133 C HIS 8 10.695 -14.808 -6.164 1.00 24.01 ATOM 134 O HIS 8 11.848 -15.233 -6.087 1.00 43.31 ATOM 135 N SER 9 9.865 -15.141 -7.147 1.00 63.40 ATOM 136 HN SER 9 8.958 -14.754 -7.172 1.00 37.13 ATOM 137 CA SER 9 10.270 -16.049 -8.214 1.00 72.13 ATOM 138 HA SER 9 10.539 -16.996 -7.764 1.00 31.44 ATOM 139 CB SER 9 9.109 -16.278 -9.185 1.00 25.54 ATOM 140 HB1 SER 9 8.443 -17.019 -8.767 1.00 37.13 ATOM 141 HB2 SER 9 9.478 -16.633 -10.139 1.00 1.04 ATOM 142 OG SER 9 8.375 -15.084 -9.393 1.00 64.41 ATOM 143 HG SER 9 8.954 -14.385 -9.718 1.00 24.33 ATOM 144 C SER 9 11.476 -15.498 -8.968 1.00 5.11 ATOM 145 O SER 9 11.737 -14.294 -8.951 1.00 71.41 ATOM 146 N HIS 10 12.210 -16.388 -9.629 1.00 4.32 ATOM 147 HN HIS 10 11.963 -17.343 -9.597 1.00 37.13 ATOM 148 CA HIS 10 13.390 -15.992 -10.390 1.00 0.42 ATOM 149 HA HIS 10 13.315 -14.935 -10.609 1.00 0.53 ATOM 150 CB HIS 10 14.659 -16.263 -9.581 1.00 42.25 ATOM 151 HB1 HIS 10 14.999 -17.278 -9.747 1.00 37.13 ATOM 152 HB2 HIS 10 14.441 -16.138 -8.529 1.00 4.01 ATOM 153 CG HIS 10 15.789 -15.337 -9.912 1.00 0.22 ATOM 154 ND1 HIS 10 17.114 -15.713 -9.848 1.00 70.52 ATOM 155 HD1 HIS 10 17.446 -16.597 -9.587 1.00 74.52 ATOM 156 CD2 HIS 10 15.786 -14.044 -10.312 1.00 52.21 ATOM 157 HD2 HIS 10 14.915 -13.423 -10.469 1.00 11.11 ATOM 158 CE1 HIS 10 17.877 -14.692 -10.193 1.00 51.34 ATOM 159 HE1 HIS 10 18.956 -14.695 -10.235 1.00 52.20 ATOM 160 NE2 HIS 10 17.095 -13.666 -10.480 1.00 64.32 ATOM 161 HE2 HIS 10 17.405 -12.756 -10.671 1.00 37.13 ATOM 162 C HIS 10 13.452 -16.734 -11.721 1.00 62.12 ATOM 163 O HIS 10 12.673 -17.655 -11.966 1.00 41.42 ATOM 164 N MET 11 14.383 -16.327 -12.577 1.00 44.35 ATOM 165 HN MET 11 14.957 -15.570 -12.359 1.00 37.13 ATOM 166 CA MET 11 14.547 -16.954 -13.884 1.00 32.23 ATOM 167 HA MET 11 15.248 -16.358 -14.452 1.00 24.24 ATOM 168 CB MET 11 15.095 -18.374 -13.726 1.00 50.24 ATOM 169 HB1 MET 11 14.885 -18.928 -14.628 1.00 37.13 ATOM 170 HB2 MET 11 14.604 -18.861 -12.896 1.00 11.01 ATOM 171 CG MET 11 16.598 -18.424 -13.504 1.00 12.33 ATOM 172 HG1 MET 11 16.853 -17.769 -12.682 1.00 37.13 ATOM 173 HG2 MET 11 17.092 -18.082 -14.401 1.00 21.33 ATOM 174 SD MET 11 17.188 -20.083 -13.119 1.00 22.33 ATOM 175 CE MET 11 16.388 -21.035 -14.408 1.00 42.21 ATOM 176 HE1 MET 11 16.665 -20.642 -15.375 1.00 21.54 ATOM 177 HE2 MET 11 15.317 -20.984 -14.289 1.00 20.34 ATOM 178 HE3 MET 11 16.692 -22.058 -14.337 1.00 14.14 ATOM 179 C MET 11 13.222 -16.989 -14.640 1.00 3.13 ATOM 180 O MET 11 12.829 -18.026 -15.176 1.00 11.22 ATOM 181 N LEU 12 12.539 -15.851 -14.679 1.00 14.34 ATOM 182 HN LEU 12 12.913 -15.045 -14.251 1.00 37.13 ATOM 183 CA LEU 12 11.257 -15.751 -15.369 1.00 64.01 ATOM 184 HA LEU 12 10.768 -16.718 -15.342 1.00 32.41 ATOM 185 CB LEU 12 10.355 -14.736 -14.666 1.00 54.54 ATOM 186 HB1 LEU 12 9.374 -14.822 -15.100 1.00 37.13 ATOM 187 HB2 LEU 12 10.727 -13.742 -14.899 1.00 70.41 ATOM 188 CG LEU 12 10.245 -14.873 -13.147 1.00 72.15 ATOM 189 HG LEU 12 10.722 -15.790 -12.824 1.00 3.31 ATOM 190 CD1 LEU 12 10.953 -13.719 -12.454 1.00 74.25 ATOM 191 HD11 LEU 12 11.994 -13.705 -12.745 1.00 61.44 ATOM 192 HD12 LEU 12 10.886 -13.844 -11.382 1.00 3.24 ATOM 193 HD13 LEU 12 10.489 -12.783 -12.736 1.00 74.53 ATOM 194 CD2 LEU 12 8.785 -14.939 -12.722 1.00 42.41 ATOM 195 HD21 LEU 12 8.292 -15.744 -13.238 1.00 61.23 ATOM 196 HD22 LEU 12 8.291 -14.008 -12.959 1.00 35.03 ATOM 197 HD23 LEU 12 8.729 -15.114 -11.669 1.00 60.42 ATOM 198 C LEU 12 11.455 -15.350 -16.827 1.00 55.24 ATOM 199 O LEU 12 12.546 -14.947 -17.230 1.00 43.32 ATOM 200 N THR 13 10.390 -15.461 -17.616 1.00 14.24 ATOM 201 HN THR 13 9.535 -15.758 -17.225 1.00 37.13 ATOM 202 CA THR 13 10.445 -15.109 -19.029 1.00 12.12 ATOM 203 HA THR 13 11.286 -15.625 -19.478 1.00 33.34 ATOM 204 CB THR 13 9.167 -15.549 -19.768 1.00 31.13 ATOM 205 HB THR 13 9.297 -15.390 -20.828 1.00 5.10 ATOM 206 OG1 THR 13 8.048 -14.780 -19.312 1.00 42.25 ATOM 207 HG1 THR 13 7.379 -14.743 -20.000 1.00 11.21 ATOM 208 CG2 THR 13 8.895 -17.029 -19.545 1.00 25.24 ATOM 209 HG21 THR 13 8.690 -17.203 -18.507 1.00 64.32 ATOM 210 HG22 THR 13 9.759 -17.608 -19.842 1.00 54.11 ATOM 211 HG23 THR 13 8.047 -17.333 -20.132 1.00 0.44 ATOM 212 C THR 13 10.634 -13.608 -19.215 1.00 0.23 ATOM 213 O THR 13 10.847 -12.874 -18.249 1.00 51.13 ATOM 214 N LYS 14 10.554 -13.156 -20.462 1.00 24.03 ATOM 215 HN LYS 14 10.429 -13.788 -21.204 1.00 37.13 ATOM 216 CA LYS 14 10.715 -11.741 -20.775 1.00 72.11 ATOM 217 HA LYS 14 11.720 -11.460 -20.496 1.00 43.42 ATOM 218 CB LYS 14 10.507 -11.502 -22.272 1.00 75.53 ATOM 219 HB1 LYS 14 9.453 -11.353 -22.474 1.00 37.13 ATOM 220 HB2 LYS 14 10.836 -12.378 -22.820 1.00 43.43 ATOM 221 CG LYS 14 11.263 -10.299 -22.807 1.00 53.34 ATOM 222 HG1 LYS 14 11.069 -9.444 -22.173 1.00 37.13 ATOM 223 HG2 LYS 14 10.906 -10.094 -23.804 1.00 13.02 ATOM 224 CD LYS 14 12.760 -10.555 -22.852 1.00 73.30 ATOM 225 HD1 LYS 14 12.949 -11.478 -23.384 1.00 37.13 ATOM 226 HD2 LYS 14 13.136 -10.635 -21.845 1.00 24.21 ATOM 227 CE LYS 14 13.498 -9.427 -23.557 1.00 33.44 ATOM 228 HE1 LYS 14 14.560 -9.590 -23.447 1.00 37.13 ATOM 229 HE2 LYS 14 13.233 -8.485 -23.097 1.00 65.24 ATOM 230 NZ LYS 14 13.168 -9.370 -25.008 1.00 31.13 ATOM 231 HZ1 LYS 14 13.770 -8.665 -25.479 1.00 64.43 ATOM 232 HZ2 LYS 14 12.175 -9.098 -25.143 1.00 72.20 ATOM 233 HZ3 LYS 14 13.328 -10.297 -25.457 1.00 45.03 ATOM 234 C LYS 14 9.734 -10.892 -19.973 1.00 3.41 ATOM 235 O LYS 14 10.085 -9.818 -19.481 1.00 61.33 ATOM 236 N HIS 15 8.504 -11.379 -19.843 1.00 65.11 ATOM 237 HN HIS 15 8.275 -12.242 -20.262 1.00 37.13 ATOM 238 CA HIS 15 7.474 -10.665 -19.098 1.00 53.12 ATOM 239 HA HIS 15 7.505 -9.620 -19.385 1.00 70.03 ATOM 240 CB HIS 15 6.092 -11.227 -19.432 1.00 34.12 ATOM 241 HB1 HIS 15 5.353 -10.794 -18.769 1.00 37.13 ATOM 242 HB2 HIS 15 6.101 -12.297 -19.303 1.00 21.32 ATOM 243 CG HIS 15 5.656 -10.950 -20.838 1.00 15.14 ATOM 244 ND1 HIS 15 4.601 -11.602 -21.441 1.00 21.10 ATOM 245 HD1 HIS 15 4.044 -12.294 -21.027 1.00 13.51 ATOM 246 CD2 HIS 15 6.137 -10.083 -21.759 1.00 70.42 ATOM 247 HD2 HIS 15 6.968 -9.404 -21.628 1.00 62.43 ATOM 248 CE1 HIS 15 4.454 -11.150 -22.674 1.00 31.15 ATOM 249 HE1 HIS 15 3.708 -11.478 -23.383 1.00 33.14 ATOM 250 NE2 HIS 15 5.373 -10.227 -22.891 1.00 63.24 ATOM 251 HE2 HIS 15 5.544 -9.792 -23.752 1.00 37.13 ATOM 252 C HIS 15 7.725 -10.759 -17.596 1.00 42.13 ATOM 253 O HIS 15 8.160 -9.795 -16.968 1.00 45.11 ATOM 254 N GLY 16 7.447 -11.928 -17.026 1.00 51.43 ATOM 255 HN GLY 16 7.164 -12.683 -17.579 1.00 37.13 ATOM 256 CA GLY 16 7.648 -12.125 -15.603 1.00 24.42 ATOM 257 HA1 GLY 16 7.625 -11.173 -15.085 1.00 37.13 ATOM 258 HA2 GLY 16 8.616 -12.577 -15.450 1.00 75.51 ATOM 259 C GLY 16 6.594 -13.024 -14.987 1.00 62.04 ATOM 260 O GLY 16 6.111 -12.763 -13.885 1.00 63.23 ATOM 261 N LYS 17 6.234 -14.085 -15.701 1.00 20.40 ATOM 262 HN LYS 17 6.661 -14.268 -16.566 1.00 37.13 ATOM 263 CA LYS 17 5.230 -15.027 -15.220 1.00 13.53 ATOM 264 HA LYS 17 4.981 -14.795 -14.192 1.00 21.50 ATOM 265 CB LYS 17 3.956 -14.919 -16.061 1.00 72.30 ATOM 266 HB1 LYS 17 3.214 -15.605 -15.671 1.00 37.13 ATOM 267 HB2 LYS 17 4.191 -15.206 -17.079 1.00 24.12 ATOM 268 CG LYS 17 3.370 -13.518 -16.102 1.00 63.42 ATOM 269 HG1 LYS 17 2.946 -13.367 -17.086 1.00 37.13 ATOM 270 HG2 LYS 17 4.131 -12.776 -15.932 1.00 14.32 ATOM 271 CD LYS 17 2.274 -13.341 -15.065 1.00 23.42 ATOM 272 HD1 LYS 17 2.729 -13.216 -14.094 1.00 37.13 ATOM 273 HD2 LYS 17 1.635 -14.215 -15.057 1.00 65.02 ATOM 274 CE LYS 17 1.414 -12.124 -15.365 1.00 53.24 ATOM 275 HE1 LYS 17 0.638 -12.056 -14.616 1.00 37.13 ATOM 276 HE2 LYS 17 0.961 -12.244 -16.339 1.00 72.24 ATOM 277 NZ LYS 17 2.209 -10.865 -15.351 1.00 22.04 ATOM 278 HZ1 LYS 17 2.896 -10.859 -16.132 1.00 23.31 ATOM 279 HZ2 LYS 17 2.723 -10.767 -14.450 1.00 52.21 ATOM 280 HZ3 LYS 17 1.575 -10.047 -15.461 1.00 20.20 ATOM 281 C LYS 17 5.760 -16.456 -15.261 1.00 32.22 ATOM 282 O LYS 17 4.988 -17.414 -15.260 1.00 61.34 ATOM 283 N ASN 18 7.082 -16.592 -15.295 1.00 15.32 ATOM 284 HN ASN 18 7.658 -15.808 -15.296 1.00 37.13 ATOM 285 CA ASN 18 7.714 -17.905 -15.335 1.00 64.01 ATOM 286 HA ASN 18 8.775 -17.724 -15.267 1.00 24.24 ATOM 287 CB ASN 18 7.257 -18.751 -14.146 1.00 33.45 ATOM 288 HB1 ASN 18 6.589 -19.537 -14.476 1.00 37.13 ATOM 289 HB2 ASN 18 6.732 -18.129 -13.432 1.00 33.14 ATOM 290 CG ASN 18 8.418 -19.398 -13.415 1.00 72.34 ATOM 291 OD1 ASN 18 8.670 -20.594 -13.563 1.00 71.25 ATOM 292 ND2 ASN 18 9.131 -18.608 -12.621 1.00 61.33 ATOM 293 HD21 ASN 18 8.884 -17.665 -12.539 1.00 21.51 ATOM 294 HD22 ASN 18 9.887 -19.007 -12.142 1.00 32.33 ATOM 295 C ASN 18 7.391 -18.625 -16.641 1.00 34.25 ATOM 296 O ASN 18 6.293 -18.509 -17.187 1.00 4.20 ATOM 297 N PRO 19 8.367 -19.388 -17.153 1.00 61.43 ATOM 298 CA PRO 19 8.210 -20.144 -18.400 1.00 13.43 ATOM 299 HA PRO 19 7.881 -19.511 -19.203 1.00 62.03 ATOM 300 CB PRO 19 9.624 -20.655 -18.686 1.00 32.04 ATOM 301 HB1 PRO 19 10.124 -19.957 -19.339 1.00 37.13 ATOM 302 HB2 PRO 19 9.595 -21.631 -19.155 1.00 41.33 ATOM 303 CG PRO 19 10.285 -20.707 -17.352 1.00 12.15 ATOM 304 HG1 PRO 19 11.350 -20.582 -17.451 1.00 37.13 ATOM 305 HG2 PRO 19 10.059 -21.643 -16.876 1.00 10.53 ATOM 306 CD PRO 19 9.700 -19.573 -16.555 1.00 60.33 ATOM 307 HD1 PRO 19 10.301 -18.683 -16.670 1.00 37.13 ATOM 308 HD2 PRO 19 9.640 -19.852 -15.534 1.00 72.52 ATOM 309 C PRO 19 7.241 -21.312 -18.251 1.00 53.44 ATOM 310 O PRO 19 6.493 -21.632 -19.175 1.00 71.14 ATOM 311 N VAL 20 7.258 -21.945 -17.083 1.00 5.33 ATOM 312 HN VAL 20 7.858 -21.623 -16.381 1.00 37.13 ATOM 313 CA VAL 20 6.380 -23.077 -16.813 1.00 10.41 ATOM 314 HA VAL 20 6.673 -23.887 -17.469 1.00 41.01 ATOM 315 CB VAL 20 6.513 -23.555 -15.355 1.00 70.30 ATOM 316 HB VAL 20 6.108 -22.794 -14.700 1.00 73.04 ATOM 317 CG1 VAL 20 5.722 -24.837 -15.139 1.00 44.24 ATOM 318 HG11 VAL 20 5.866 -25.185 -14.124 1.00 71.14 ATOM 319 HG12 VAL 20 6.064 -25.597 -15.827 1.00 54.24 ATOM 320 HG13 VAL 20 4.670 -24.654 -15.301 1.00 24.43 ATOM 321 CG2 VAL 20 7.977 -23.754 -14.991 1.00 74.45 ATOM 322 HG21 VAL 20 8.454 -24.393 -15.722 1.00 51.43 ATOM 323 HG22 VAL 20 8.049 -24.217 -14.015 1.00 43.41 ATOM 324 HG23 VAL 20 8.482 -22.803 -14.961 1.00 61.42 ATOM 325 C VAL 20 4.924 -22.720 -17.088 1.00 54.33 ATOM 326 O VAL 20 4.263 -23.355 -17.910 1.00 2.31 ATOM 327 N MET 21 4.429 -21.699 -16.396 1.00 1.12 ATOM 328 HN MET 21 5.027 -21.205 -15.789 1.00 37.13 ATOM 329 CA MET 21 3.050 -21.256 -16.567 1.00 63.13 ATOM 330 HA MET 21 2.401 -22.116 -16.460 1.00 10.13 ATOM 331 CB MET 21 2.684 -20.231 -15.493 1.00 1.53 ATOM 332 HB1 MET 21 1.612 -20.091 -15.513 1.00 37.13 ATOM 333 HB2 MET 21 3.168 -19.288 -15.718 1.00 54.22 ATOM 334 CG MET 21 3.100 -20.645 -14.090 1.00 54.14 ATOM 335 HG1 MET 21 4.166 -20.512 -13.988 1.00 37.13 ATOM 336 HG2 MET 21 2.856 -21.690 -13.944 1.00 31.44 ATOM 337 SD MET 21 2.265 -19.691 -12.808 1.00 41.42 ATOM 338 CE MET 21 3.527 -18.485 -12.408 1.00 5.31 ATOM 339 HE1 MET 21 3.242 -17.949 -11.515 1.00 44.23 ATOM 340 HE2 MET 21 3.631 -17.789 -13.226 1.00 3.31 ATOM 341 HE3 MET 21 4.468 -18.989 -12.241 1.00 54.31 ATOM 342 C MET 21 2.841 -20.654 -17.953 1.00 71.42 ATOM 343 O MET 21 1.837 -20.925 -18.611 1.00 51.22 ATOM 344 N GLU 22 3.795 -19.838 -18.389 1.00 51.24 ATOM 345 HN GLU 22 4.571 -19.645 -17.811 1.00 37.13 ATOM 346 CA GLU 22 3.713 -19.198 -19.697 1.00 54.31 ATOM 347 HA GLU 22 2.884 -18.505 -19.677 1.00 43.21 ATOM 348 CB GLU 22 4.999 -18.424 -19.993 1.00 1.14 ATOM 349 HB1 GLU 22 5.837 -19.097 -19.889 1.00 37.13 ATOM 350 HB2 GLU 22 5.091 -17.640 -19.256 1.00 74.05 ATOM 351 CG GLU 22 5.042 -17.825 -21.388 1.00 41.23 ATOM 352 HG1 GLU 22 4.035 -17.602 -21.718 1.00 37.13 ATOM 353 HG2 GLU 22 5.485 -18.542 -22.058 1.00 62.21 ATOM 354 CD GLU 22 5.855 -16.547 -21.450 1.00 4.52 ATOM 355 OE1 GLU 22 5.864 -15.800 -20.449 1.00 42.53 ATOM 356 OE2 GLU 22 6.484 -16.294 -22.499 1.00 54.33 ATOM 357 C GLU 22 3.464 -20.230 -20.793 1.00 53.33 ATOM 358 O GLU 22 2.455 -20.172 -21.498 1.00 64.25 ATOM 359 N LEU 23 4.389 -21.172 -20.931 1.00 63.41 ATOM 360 HN LEU 23 5.175 -21.166 -20.336 1.00 37.13 ATOM 361 CA LEU 23 4.272 -22.218 -21.942 1.00 31.14 ATOM 362 HA LEU 23 4.275 -21.746 -22.914 1.00 64.14 ATOM 363 CB LEU 23 5.462 -23.176 -21.854 1.00 14.44 ATOM 364 HB1 LEU 23 5.449 -23.616 -20.863 1.00 37.13 ATOM 365 HB2 LEU 23 6.363 -22.599 -21.943 1.00 71.23 ATOM 366 CG LEU 23 5.489 -24.308 -22.881 1.00 2.02 ATOM 367 HG LEU 23 4.522 -24.756 -22.953 1.00 50.52 ATOM 368 CD1 LEU 23 5.841 -23.770 -24.259 1.00 3.00 ATOM 369 HD11 LEU 23 5.127 -23.011 -24.533 1.00 74.42 ATOM 370 HD12 LEU 23 5.805 -24.572 -24.983 1.00 25.22 ATOM 371 HD13 LEU 23 6.834 -23.341 -24.244 1.00 40.44 ATOM 372 CD2 LEU 23 6.476 -25.387 -22.459 1.00 43.41 ATOM 373 HD21 LEU 23 6.209 -25.758 -21.484 1.00 50.52 ATOM 374 HD22 LEU 23 7.475 -24.976 -22.422 1.00 52.24 ATOM 375 HD23 LEU 23 6.452 -26.191 -23.156 1.00 31.23 ATOM 376 C LEU 23 2.968 -22.992 -21.775 1.00 61.13 ATOM 377 O LEU 23 2.392 -23.474 -22.750 1.00 25.02 ATOM 378 N ASN 24 2.507 -23.105 -20.534 1.00 23.02 ATOM 379 HN ASN 24 3.022 -22.724 -19.788 1.00 37.13 ATOM 380 CA ASN 24 1.270 -23.819 -20.240 1.00 20.02 ATOM 381 HA ASN 24 1.359 -24.817 -20.652 1.00 75.31 ATOM 382 CB ASN 24 1.053 -23.904 -18.728 1.00 32.03 ATOM 383 HB1 ASN 24 0.202 -23.300 -18.439 1.00 37.13 ATOM 384 HB2 ASN 24 1.921 -23.530 -18.213 1.00 44.23 ATOM 385 CG ASN 24 0.793 -25.323 -18.260 1.00 12.12 ATOM 386 OD1 ASN 24 0.058 -26.075 -18.901 1.00 3.03 ATOM 387 ND2 ASN 24 1.396 -25.695 -17.137 1.00 34.23 ATOM 388 HD21 ASN 24 1.972 -25.053 -16.665 1.00 45.11 ATOM 389 HD22 ASN 24 1.241 -26.609 -16.819 1.00 35.52 ATOM 390 C ASN 24 0.077 -23.134 -20.899 1.00 13.44 ATOM 391 O ASN 24 -0.926 -23.776 -21.210 1.00 44.20 ATOM 392 N GLU 25 0.194 -21.826 -21.108 1.00 35.03 ATOM 393 HN GLU 25 1.001 -21.351 -20.819 1.00 37.13 ATOM 394 CA GLU 25 -0.876 -21.054 -21.729 1.00 70.03 ATOM 395 HA GLU 25 -1.817 -21.571 -21.583 1.00 74.12 ATOM 396 CB GLU 25 -0.982 -19.673 -21.080 1.00 43.50 ATOM 397 HB1 GLU 25 -1.763 -19.117 -21.587 1.00 37.13 ATOM 398 HB2 GLU 25 -0.041 -19.154 -21.206 1.00 72.10 ATOM 399 CG GLU 25 -1.300 -19.721 -19.595 1.00 43.30 ATOM 400 HG1 GLU 25 -0.377 -19.838 -19.047 1.00 37.13 ATOM 401 HG2 GLU 25 -1.947 -20.564 -19.391 1.00 34.41 ATOM 402 CD GLU 25 -1.994 -18.465 -19.106 1.00 53.51 ATOM 403 OE1 GLU 25 -2.567 -18.496 -17.997 1.00 4.22 ATOM 404 OE2 GLU 25 -1.965 -17.450 -19.834 1.00 1.23 ATOM 405 C GLU 25 -0.639 -20.906 -23.230 1.00 32.24 ATOM 406 O GLU 25 -1.582 -20.753 -24.007 1.00 2.54 ATOM 407 N LYS 26 0.627 -20.953 -23.630 1.00 72.31 ATOM 408 HN LYS 26 1.347 -21.065 -22.969 1.00 37.13 ATOM 409 CA LYS 26 0.990 -20.826 -25.036 1.00 42.44 ATOM 410 HA LYS 26 0.453 -19.983 -25.453 1.00 40.42 ATOM 411 CB LYS 26 2.493 -20.569 -25.175 1.00 34.40 ATOM 412 HB1 LYS 26 2.748 -20.534 -26.222 1.00 37.13 ATOM 413 HB2 LYS 26 3.029 -21.385 -24.712 1.00 32.01 ATOM 414 CG LYS 26 2.952 -19.276 -24.525 1.00 14.15 ATOM 415 HG1 LYS 26 4.014 -19.331 -24.354 1.00 37.13 ATOM 416 HG2 LYS 26 2.451 -19.157 -23.579 1.00 74.23 ATOM 417 CD LYS 26 2.621 -18.070 -25.388 1.00 2.23 ATOM 418 HD1 LYS 26 2.490 -17.213 -24.743 1.00 37.13 ATOM 419 HD2 LYS 26 1.705 -18.244 -25.938 1.00 4.21 ATOM 420 CE LYS 26 3.739 -17.767 -26.374 1.00 73.41 ATOM 421 HE1 LYS 26 3.417 -16.966 -27.023 1.00 37.13 ATOM 422 HE2 LYS 26 3.938 -18.649 -26.967 1.00 40.33 ATOM 423 NZ LYS 26 4.991 -17.353 -25.683 1.00 41.24 ATOM 424 HZ1 LYS 26 5.660 -16.960 -26.376 1.00 53.33 ATOM 425 HZ2 LYS 26 5.439 -18.168 -25.222 1.00 65.42 ATOM 426 HZ3 LYS 26 4.793 -16.625 -24.963 1.00 2.54 ATOM 427 C LYS 26 0.604 -22.079 -25.814 1.00 73.52 ATOM 428 O LYS 26 0.078 -21.995 -26.924 1.00 71.22 ATOM 429 N ARG 27 0.866 -23.241 -25.224 1.00 44.10 ATOM 430 HN ARG 27 1.311 -23.254 -24.344 1.00 37.13 ATOM 431 CA ARG 27 0.545 -24.512 -25.862 1.00 45.10 ATOM 432 HA ARG 27 -0.235 -24.332 -26.589 1.00 43.43 ATOM 433 CB ARG 27 1.782 -25.083 -26.559 1.00 75.40 ATOM 434 HB1 ARG 27 1.791 -26.165 -26.471 1.00 37.13 ATOM 435 HB2 ARG 27 2.670 -24.695 -26.077 1.00 15.20 ATOM 436 CG ARG 27 1.864 -24.734 -28.036 1.00 3.41 ATOM 437 HG1 ARG 27 2.828 -25.038 -28.417 1.00 37.13 ATOM 438 HG2 ARG 27 1.750 -23.668 -28.151 1.00 3.12 ATOM 439 CD ARG 27 0.770 -25.424 -28.834 1.00 72.52 ATOM 440 HD1 ARG 27 0.604 -24.856 -29.738 1.00 37.13 ATOM 441 HD2 ARG 27 -0.143 -25.442 -28.261 1.00 71.42 ATOM 442 NE ARG 27 1.141 -26.787 -29.207 1.00 0.04 ATOM 443 HE ARG 27 2.097 -27.027 -29.183 1.00 42.11 ATOM 444 CZ ARG 27 0.264 -27.712 -29.580 1.00 55.31 ATOM 445 NH1 ARG 27 -1.029 -27.422 -29.631 1.00 12.50 ATOM 446 HH11 ARG 27 -1.373 -26.517 -29.399 1.00 62.43 ATOM 447 HH12 ARG 27 -1.682 -28.129 -29.910 1.00 23.33 ATOM 448 NH2 ARG 27 0.679 -28.930 -29.904 1.00 52.42 ATOM 449 HH21 ARG 27 1.629 -29.143 -29.851 1.00 55.13 ATOM 450 HH22 ARG 27 0.025 -29.629 -30.201 1.00 12.30 ATOM 451 C ARG 27 0.015 -25.514 -24.841 1.00 21.20 ATOM 452 O ARG 27 0.661 -25.785 -23.829 1.00 4.13 ATOM 453 N ARG 28 -1.165 -26.061 -25.114 1.00 50.10 ATOM 454 HN ARG 28 -1.585 -25.855 -25.967 1.00 37.13 ATOM 455 CA ARG 28 -1.783 -27.032 -24.219 1.00 1.53 ATOM 456 HA ARG 28 -1.481 -26.812 -23.201 1.00 12.23 ATOM 457 CB ARG 28 -3.307 -26.934 -24.300 1.00 14.33 ATOM 458 HB1 ARG 28 -3.614 -26.004 -23.843 1.00 37.13 ATOM 459 HB2 ARG 28 -3.743 -27.750 -23.734 1.00 34.42 ATOM 460 CG ARG 28 -3.848 -27.004 -25.719 1.00 23.54 ATOM 461 HG1 ARG 28 -4.743 -27.610 -25.712 1.00 37.13 ATOM 462 HG2 ARG 28 -3.118 -27.456 -26.377 1.00 63.20 ATOM 463 CD ARG 28 -4.196 -25.623 -26.252 1.00 22.54 ATOM 464 HD1 ARG 28 -3.300 -25.190 -26.663 1.00 37.13 ATOM 465 HD2 ARG 28 -4.563 -24.997 -25.447 1.00 64.55 ATOM 466 NE ARG 28 -5.221 -25.680 -27.290 1.00 34.02 ATOM 467 HE ARG 28 -5.789 -26.484 -27.333 1.00 64.21 ATOM 468 CZ ARG 28 -5.431 -24.707 -28.169 1.00 52.13 ATOM 469 NH1 ARG 28 -4.690 -23.608 -28.137 1.00 31.14 ATOM 470 HH11 ARG 28 -3.969 -23.481 -27.461 1.00 21.42 ATOM 471 HH12 ARG 28 -4.856 -22.882 -28.809 1.00 34.32 ATOM 472 NH2 ARG 28 -6.384 -24.832 -29.084 1.00 61.25 ATOM 473 HH21 ARG 28 -6.948 -25.660 -29.114 1.00 74.24 ATOM 474 HH22 ARG 28 -6.545 -24.099 -29.748 1.00 31.43 ATOM 475 C ARG 28 -1.335 -28.449 -24.561 1.00 65.30 ATOM 476 O ARG 28 -0.772 -28.693 -25.628 1.00 10.04 ATOM 477 N GLY 29 -1.588 -29.382 -23.647 1.00 43.43 ATOM 478 HN GLY 29 -2.041 -29.140 -22.808 1.00 37.13 ATOM 479 CA GLY 29 -1.203 -30.763 -23.871 1.00 10.03 ATOM 480 HA1 GLY 29 -1.329 -31.016 -24.917 1.00 37.13 ATOM 481 HA2 GLY 29 -1.850 -31.398 -23.284 1.00 32.23 ATOM 482 C GLY 29 0.233 -31.037 -23.469 1.00 73.23 ATOM 483 O GLY 29 0.892 -31.903 -24.046 1.00 70.31 ATOM 484 N LEU 30 0.720 -30.297 -22.479 1.00 61.54 ATOM 485 HN LEU 30 0.143 -29.640 -22.026 1.00 37.13 ATOM 486 CA LEU 30 2.089 -30.464 -22.002 1.00 55.11 ATOM 487 HA LEU 30 2.698 -30.858 -22.807 1.00 2.33 ATOM 488 CB LEU 30 2.670 -29.114 -21.578 1.00 54.25 ATOM 489 HB1 LEU 30 3.747 -29.211 -21.561 1.00 37.13 ATOM 490 HB2 LEU 30 2.332 -28.891 -20.571 1.00 32.02 ATOM 491 CG LEU 30 2.309 -27.920 -22.464 1.00 31.33 ATOM 492 HG LEU 30 1.245 -27.744 -22.404 1.00 15.32 ATOM 493 CD1 LEU 30 3.019 -26.665 -21.982 1.00 54.40 ATOM 494 HD11 LEU 30 4.090 -26.799 -22.057 1.00 34.51 ATOM 495 HD12 LEU 30 2.754 -26.471 -20.952 1.00 41.30 ATOM 496 HD13 LEU 30 2.720 -25.830 -22.587 1.00 31.05 ATOM 497 CD2 LEU 30 2.659 -28.209 -23.916 1.00 55.14 ATOM 498 HD21 LEU 30 1.790 -28.621 -24.407 1.00 71.23 ATOM 499 HD22 LEU 30 3.462 -28.930 -23.972 1.00 65.52 ATOM 500 HD23 LEU 30 2.953 -27.301 -24.427 1.00 43.05 ATOM 501 C LEU 30 2.142 -31.443 -20.833 1.00 44.35 ATOM 502 O LEU 30 1.109 -31.859 -20.309 1.00 52.45 ATOM 503 N LYS 31 3.354 -31.806 -20.428 1.00 5.32 ATOM 504 HN LYS 31 4.147 -31.451 -20.897 1.00 37.13 ATOM 505 CA LYS 31 3.545 -32.733 -19.319 1.00 11.33 ATOM 506 HA LYS 31 2.758 -32.561 -18.592 1.00 24.24 ATOM 507 CB LYS 31 3.442 -34.178 -19.812 1.00 3.14 ATOM 508 HB1 LYS 31 4.080 -34.295 -20.677 1.00 37.13 ATOM 509 HB2 LYS 31 2.418 -34.362 -20.108 1.00 4.13 ATOM 510 CG LYS 31 3.858 -35.206 -18.773 1.00 53.32 ATOM 511 HG1 LYS 31 3.612 -34.846 -17.779 1.00 37.13 ATOM 512 HG2 LYS 31 4.926 -35.351 -18.843 1.00 10.52 ATOM 513 CD LYS 31 3.174 -36.542 -19.007 1.00 32.31 ATOM 514 HD1 LYS 31 3.725 -37.307 -18.480 1.00 37.13 ATOM 515 HD2 LYS 31 3.171 -36.771 -20.065 1.00 71.23 ATOM 516 CE LYS 31 1.742 -36.533 -18.494 1.00 20.14 ATOM 517 HE1 LYS 31 1.279 -35.581 -18.721 1.00 37.13 ATOM 518 HE2 LYS 31 1.757 -36.676 -17.424 1.00 43.13 ATOM 519 NZ LYS 31 0.925 -37.615 -19.110 1.00 11.21 ATOM 520 HZ1 LYS 31 0.891 -37.499 -20.144 1.00 73.34 ATOM 521 HZ2 LYS 31 -0.046 -37.581 -18.740 1.00 2.41 ATOM 522 HZ3 LYS 31 1.333 -38.547 -18.889 1.00 22.45 ATOM 523 C LYS 31 4.896 -32.508 -18.648 1.00 22.13 ATOM 524 O LYS 31 5.942 -32.592 -19.292 1.00 52.15 ATOM 525 N TYR 32 4.867 -32.224 -17.350 1.00 64.05 ATOM 526 HN TYR 32 4.004 -32.180 -16.877 1.00 37.13 ATOM 527 CA TYR 32 6.090 -31.987 -16.593 1.00 3.43 ATOM 528 HA TYR 32 6.928 -31.916 -17.281 1.00 1.34 ATOM 529 CB TYR 32 5.994 -30.665 -15.829 1.00 54.44 ATOM 530 HB1 TYR 32 6.871 -30.553 -15.200 1.00 37.13 ATOM 531 HB2 TYR 32 5.115 -30.689 -15.198 1.00 4.22 ATOM 532 CG TYR 32 5.898 -29.452 -16.728 1.00 24.21 ATOM 533 CD1 TYR 32 7.024 -28.696 -17.029 1.00 42.12 ATOM 534 HD1 TYR 32 7.980 -28.981 -16.612 1.00 35.02 ATOM 535 CD2 TYR 32 4.682 -29.064 -17.277 1.00 2.25 ATOM 536 HD2 TYR 32 3.794 -29.640 -17.055 1.00 41.31 ATOM 537 CE1 TYR 32 6.941 -27.587 -17.849 1.00 24.11 ATOM 538 HE1 TYR 32 7.826 -27.019 -18.066 1.00 11.51 ATOM 539 CE2 TYR 32 4.590 -27.957 -18.099 1.00 24.24 ATOM 540 HE2 TYR 32 3.635 -27.671 -18.516 1.00 1.34 ATOM 541 CZ TYR 32 5.723 -27.222 -18.381 1.00 55.03 ATOM 542 OH TYR 32 5.636 -26.119 -19.200 1.00 2.04 ATOM 543 HH TYR 32 5.206 -25.397 -18.731 1.00 63.15 ATOM 544 C TYR 32 6.359 -33.130 -15.619 1.00 73.33 ATOM 545 O TYR 32 5.729 -33.224 -14.566 1.00 51.43 ATOM 546 N GLU 33 7.299 -33.998 -15.980 1.00 41.34 ATOM 547 HN GLU 33 7.773 -33.882 -16.835 1.00 37.13 ATOM 548 CA GLU 33 7.651 -35.136 -15.139 1.00 44.34 ATOM 549 HA GLU 33 7.069 -35.104 -14.226 1.00 64.44 ATOM 550 CB GLU 33 7.339 -36.448 -15.862 1.00 5.02 ATOM 551 HB1 GLU 33 6.340 -36.382 -16.274 1.00 37.13 ATOM 552 HB2 GLU 33 7.367 -37.253 -15.141 1.00 21.34 ATOM 553 CG GLU 33 8.317 -36.776 -16.978 1.00 10.40 ATOM 554 HG1 GLU 33 9.114 -37.382 -16.572 1.00 37.13 ATOM 555 HG2 GLU 33 8.732 -35.860 -17.380 1.00 73.42 ATOM 556 CD GLU 33 7.667 -37.536 -18.118 1.00 4.02 ATOM 557 OE1 GLU 33 7.771 -38.781 -18.135 1.00 0.51 ATOM 558 OE2 GLU 33 7.056 -36.887 -18.992 1.00 62.43 ATOM 559 C GLU 33 9.128 -35.092 -14.755 1.00 73.15 ATOM 560 O GLU 33 9.907 -34.328 -15.326 1.00 0.41 ATOM 561 N LEU 34 9.505 -35.917 -13.785 1.00 12.11 ATOM 562 HN LEU 34 8.839 -36.519 -13.375 1.00 37.13 ATOM 563 CA LEU 34 10.887 -35.973 -13.323 1.00 65.41 ATOM 564 HA LEU 34 11.339 -35.007 -13.469 1.00 34.13 ATOM 565 CB LEU 34 10.934 -36.305 -11.830 1.00 42.24 ATOM 566 HB1 LEU 34 10.460 -37.270 -11.693 1.00 37.13 ATOM 567 HB2 LEU 34 10.344 -35.566 -11.304 1.00 63.44 ATOM 568 CG LEU 34 12.325 -36.356 -11.197 1.00 41.34 ATOM 569 HG LEU 34 12.964 -37.002 -11.780 1.00 62.42 ATOM 570 CD1 LEU 34 12.955 -34.971 -11.180 1.00 35.43 ATOM 571 HD11 LEU 34 13.896 -35.002 -10.654 1.00 24.22 ATOM 572 HD12 LEU 34 12.294 -34.275 -10.682 1.00 43.40 ATOM 573 HD13 LEU 34 13.124 -34.642 -12.195 1.00 25.13 ATOM 574 CD2 LEU 34 12.250 -36.927 -9.789 1.00 75.21 ATOM 575 HD21 LEU 34 11.609 -36.308 -9.176 1.00 31.41 ATOM 576 HD22 LEU 34 13.239 -36.948 -9.365 1.00 24.00 ATOM 577 HD23 LEU 34 11.855 -37.932 -9.825 1.00 22.30 ATOM 578 C LEU 34 11.683 -37.010 -14.111 1.00 12.52 ATOM 579 O LEU 34 11.215 -38.126 -14.335 1.00 21.45 ATOM 580 N ILE 35 12.887 -36.632 -14.527 1.00 21.35 ATOM 581 HN ILE 35 13.218 -35.729 -14.314 1.00 37.13 ATOM 582 CA ILE 35 13.748 -37.530 -15.286 1.00 24.10 ATOM 583 HA ILE 35 13.163 -38.376 -15.629 1.00 44.40 ATOM 584 CB ILE 35 14.346 -36.828 -16.519 1.00 50.53 ATOM 585 HB ILE 35 15.097 -36.125 -16.195 1.00 4.14 ATOM 586 CG1 ILE 35 13.255 -36.073 -17.282 1.00 2.31 ATOM 587 HG11 ILE 35 13.698 -35.597 -18.144 1.00 37.13 ATOM 588 HG12 ILE 35 12.828 -35.311 -16.646 1.00 15.33 ATOM 589 CG2 ILE 35 15.030 -37.840 -17.426 1.00 11.10 ATOM 590 HG21 ILE 35 15.381 -37.346 -18.323 1.00 45.22 ATOM 591 HG22 ILE 35 14.338 -38.623 -17.698 1.00 21.21 ATOM 592 HG23 ILE 35 15.875 -38.275 -16.913 1.00 41.14 ATOM 593 CD1 ILE 35 12.132 -36.962 -17.768 1.00 11.15 ATOM 594 HD11 ILE 35 11.203 -36.633 -17.327 1.00 21.04 ATOM 595 HD12 ILE 35 12.299 -37.996 -17.508 1.00 61.21 ATOM 596 HD13 ILE 35 12.056 -36.881 -18.841 1.00 24.33 ATOM 597 C ILE 35 14.884 -38.066 -14.420 1.00 54.13 ATOM 598 O ILE 35 15.090 -39.276 -14.328 1.00 52.01 ATOM 599 N SER 36 15.617 -37.157 -13.786 1.00 15.53 ATOM 600 HN SER 36 15.414 -36.199 -13.904 1.00 37.13 ATOM 601 CA SER 36 16.733 -37.537 -12.928 1.00 72.22 ATOM 602 HA SER 36 16.651 -38.588 -12.680 1.00 43.11 ATOM 603 CB SER 36 18.061 -37.310 -13.653 1.00 12.32 ATOM 604 HB1 SER 36 18.129 -36.280 -13.957 1.00 37.13 ATOM 605 HB2 SER 36 18.104 -37.945 -14.526 1.00 3.44 ATOM 606 OG SER 36 19.160 -37.619 -12.813 1.00 15.10 ATOM 607 HG SER 36 19.449 -36.828 -12.351 1.00 44.34 ATOM 608 C SER 36 16.710 -36.746 -11.624 1.00 22.12 ATOM 609 O SER 36 15.988 -35.758 -11.498 1.00 32.01 ATOM 610 N GLU 37 17.507 -37.189 -10.656 1.00 72.42 ATOM 611 HN GLU 37 18.057 -37.994 -10.813 1.00 37.13 ATOM 612 CA GLU 37 17.578 -36.524 -9.361 1.00 13.51 ATOM 613 HA GLU 37 17.622 -35.457 -9.531 1.00 42.41 ATOM 614 CB GLU 37 16.328 -36.834 -8.534 1.00 42.21 ATOM 615 HB1 GLU 37 15.456 -36.658 -9.149 1.00 37.13 ATOM 616 HB2 GLU 37 16.303 -36.166 -7.690 1.00 33.32 ATOM 617 CG GLU 37 16.288 -38.257 -8.003 1.00 55.11 ATOM 618 HG1 GLU 37 16.726 -38.269 -7.016 1.00 37.13 ATOM 619 HG2 GLU 37 16.859 -38.906 -8.656 1.00 42.33 ATOM 620 CD GLU 37 14.877 -38.804 -7.909 1.00 35.24 ATOM 621 OE1 GLU 37 13.975 -38.049 -7.488 1.00 51.15 ATOM 622 OE2 GLU 37 14.674 -39.987 -8.254 1.00 51.21 ATOM 623 C GLU 37 18.827 -36.953 -8.596 1.00 55.31 ATOM 624 O GLU 37 19.264 -38.100 -8.692 1.00 3.21 ATOM 625 N THR 38 19.397 -36.023 -7.836 1.00 50.44 ATOM 626 HN THR 38 19.011 -35.117 -7.801 1.00 37.13 ATOM 627 CA THR 38 20.596 -36.303 -7.056 1.00 51.55 ATOM 628 HA THR 38 20.761 -37.378 -7.050 1.00 65.11 ATOM 629 CB THR 38 21.836 -35.625 -7.670 1.00 31.13 ATOM 630 HB THR 38 21.928 -34.628 -7.280 1.00 73.42 ATOM 631 OG1 THR 38 21.696 -35.543 -9.092 1.00 51.34 ATOM 632 HG1 THR 38 21.599 -36.422 -9.482 1.00 52.32 ATOM 633 CG2 THR 38 23.101 -36.396 -7.323 1.00 74.23 ATOM 634 HG21 THR 38 23.222 -36.431 -6.250 1.00 43.33 ATOM 635 HG22 THR 38 23.954 -35.902 -7.764 1.00 72.20 ATOM 636 HG23 THR 38 23.030 -37.402 -7.711 1.00 60.04 ATOM 637 C THR 38 20.436 -35.834 -5.615 1.00 13.02 ATOM 638 O THR 38 19.942 -34.736 -5.360 1.00 21.33 ATOM 639 N GLY 39 20.857 -36.674 -4.674 1.00 1.21 ATOM 640 HN GLY 39 21.246 -37.542 -4.925 1.00 37.13 ATOM 641 CA GLY 39 20.752 -36.327 -3.269 1.00 0.23 ATOM 642 HA1 GLY 39 20.185 -37.102 -2.774 1.00 37.13 ATOM 643 HA2 GLY 39 20.223 -35.389 -3.141 1.00 34.24 ATOM 644 C GLY 39 22.105 -36.229 -2.593 1.00 23.01 ATOM 645 O GLY 39 22.723 -37.244 -2.276 1.00 24.33 ATOM 646 N GLY 40 22.568 -35.002 -2.373 1.00 63.10 ATOM 647 HN GLY 40 22.037 -34.220 -2.658 1.00 37.13 ATOM 648 CA GLY 40 23.855 -34.798 -1.734 1.00 30.24 ATOM 649 HA1 GLY 40 24.613 -34.725 -2.499 1.00 37.13 ATOM 650 HA2 GLY 40 24.089 -35.640 -1.091 1.00 52.33 ATOM 651 C GLY 40 23.892 -33.536 -0.895 1.00 43.13 ATOM 652 O GLY 40 23.033 -32.666 -1.033 1.00 14.23 ATOM 653 N SER 41 24.890 -33.436 -0.023 1.00 42.00 ATOM 654 HN SER 41 25.550 -34.168 0.041 1.00 37.13 ATOM 655 CA SER 41 25.033 -32.273 0.845 1.00 20.11 ATOM 656 HA SER 41 24.185 -32.249 1.514 1.00 21.11 ATOM 657 CB SER 41 26.315 -32.383 1.674 1.00 55.14 ATOM 658 HB1 SER 41 27.123 -32.730 1.045 1.00 37.13 ATOM 659 HB2 SER 41 26.161 -33.084 2.481 1.00 45.21 ATOM 660 OG SER 41 26.675 -31.128 2.224 1.00 1.02 ATOM 661 HG SER 41 27.529 -31.201 2.657 1.00 42.34 ATOM 662 C SER 41 25.051 -30.984 0.029 1.00 72.44 ATOM 663 O SER 41 24.622 -29.931 0.500 1.00 14.12 ATOM 664 N HIS 42 25.551 -31.076 -1.200 1.00 33.43 ATOM 665 HN HIS 42 25.937 -31.926 -1.513 1.00 37.13 ATOM 666 CA HIS 42 25.625 -29.919 -2.084 1.00 14.43 ATOM 667 HA HIS 42 24.712 -29.345 -1.977 1.00 73.14 ATOM 668 CB HIS 42 26.811 -29.034 -1.702 1.00 4.44 ATOM 669 HB1 HIS 42 26.605 -28.576 -0.745 1.00 37.13 ATOM 670 HB2 HIS 42 26.943 -28.253 -2.440 1.00 42.50 ATOM 671 CG HIS 42 28.103 -29.783 -1.581 1.00 52.42 ATOM 672 ND1 HIS 42 28.902 -29.728 -0.459 1.00 64.41 ATOM 673 HD1 HIS 42 28.716 -29.210 0.352 1.00 2.30 ATOM 674 CD2 HIS 42 28.732 -30.608 -2.450 1.00 33.41 ATOM 675 HD2 HIS 42 28.401 -30.885 -3.435 1.00 2.14 ATOM 676 CE1 HIS 42 29.968 -30.487 -0.644 1.00 2.14 ATOM 677 HE1 HIS 42 30.768 -30.637 0.066 1.00 64.43 ATOM 678 NE2 HIS 42 29.889 -31.033 -1.844 1.00 15.42 ATOM 679 HE2 HIS 42 30.596 -31.559 -2.273 1.00 37.13 ATOM 680 C HIS 42 25.748 -30.354 -3.541 1.00 21.44 ATOM 681 O HIS 42 26.545 -29.801 -4.299 1.00 15.21 ATOM 682 N ASP 43 24.956 -31.349 -3.924 1.00 61.45 ATOM 683 HN ASP 43 24.336 -31.760 -3.278 1.00 37.13 ATOM 684 CA ASP 43 24.977 -31.859 -5.291 1.00 35.55 ATOM 685 HA ASP 43 25.501 -31.157 -5.928 1.00 12.42 ATOM 686 CB ASP 43 25.706 -33.203 -5.345 1.00 41.43 ATOM 687 HB1 ASP 43 25.835 -33.495 -6.377 1.00 37.13 ATOM 688 HB2 ASP 43 25.118 -33.953 -4.833 1.00 73.44 ATOM 689 CG ASP 43 27.071 -33.147 -4.688 1.00 63.14 ATOM 690 OD1 ASP 43 28.079 -33.050 -5.420 1.00 52.33 ATOM 691 OD2 ASP 43 27.132 -33.200 -3.442 1.00 63.14 ATOM 692 C ASP 43 23.560 -32.014 -5.834 1.00 54.32 ATOM 693 O ASP 43 23.313 -32.814 -6.736 1.00 73.34 ATOM 694 N LYS 44 22.631 -31.243 -5.279 1.00 0.43 ATOM 695 HN LYS 44 22.885 -30.608 -4.572 1.00 37.13 ATOM 696 CA LYS 44 21.238 -31.292 -5.707 1.00 21.32 ATOM 697 HA LYS 44 20.873 -32.295 -5.517 1.00 41.54 ATOM 698 CB LYS 44 20.403 -30.287 -4.912 1.00 15.54 ATOM 699 HB1 LYS 44 19.762 -29.729 -5.584 1.00 37.13 ATOM 700 HB2 LYS 44 21.055 -29.587 -4.408 1.00 34.13 ATOM 701 CG LYS 44 19.510 -30.930 -3.865 1.00 31.32 ATOM 702 HG1 LYS 44 18.782 -31.552 -4.359 1.00 37.13 ATOM 703 HG2 LYS 44 19.004 -30.146 -3.318 1.00 22.31 ATOM 704 CD LYS 44 20.311 -31.790 -2.901 1.00 51.14 ATOM 705 HD1 LYS 44 21.261 -31.313 -2.689 1.00 37.13 ATOM 706 HD2 LYS 44 20.485 -32.754 -3.355 1.00 12.33 ATOM 707 CE LYS 44 19.570 -31.994 -1.589 1.00 22.13 ATOM 708 HE1 LYS 44 18.551 -32.295 -1.797 1.00 37.13 ATOM 709 HE2 LYS 44 19.564 -31.062 -1.045 1.00 25.41 ATOM 710 NZ LYS 44 20.213 -33.040 -0.746 1.00 20.10 ATOM 711 HZ1 LYS 44 19.684 -33.154 0.142 1.00 30.43 ATOM 712 HZ2 LYS 44 21.192 -32.770 -0.517 1.00 4.13 ATOM 713 HZ3 LYS 44 20.224 -33.953 -1.247 1.00 62.30 ATOM 714 C LYS 44 21.117 -31.002 -7.199 1.00 60.34 ATOM 715 O LYS 44 21.249 -29.857 -7.631 1.00 52.04 ATOM 716 N ARG 45 20.864 -32.046 -7.982 1.00 21.32 ATOM 717 HN ARG 45 20.762 -32.938 -7.585 1.00 37.13 ATOM 718 CA ARG 45 20.725 -31.903 -9.426 1.00 11.10 ATOM 719 HA ARG 45 20.586 -30.850 -9.657 1.00 33.33 ATOM 720 CB ARG 45 21.988 -32.397 -10.133 1.00 44.41 ATOM 721 HB1 ARG 45 21.959 -33.474 -10.212 1.00 37.13 ATOM 722 HB2 ARG 45 22.850 -32.116 -9.543 1.00 73.12 ATOM 723 CG ARG 45 22.173 -31.817 -11.526 1.00 10.31 ATOM 724 HG1 ARG 45 22.378 -30.760 -11.441 1.00 37.13 ATOM 725 HG2 ARG 45 21.266 -31.965 -12.096 1.00 52.32 ATOM 726 CD ARG 45 23.324 -32.486 -12.260 1.00 71.42 ATOM 727 HD1 ARG 45 23.110 -33.542 -12.356 1.00 37.13 ATOM 728 HD2 ARG 45 24.230 -32.354 -11.684 1.00 10.40 ATOM 729 NE ARG 45 23.526 -31.922 -13.592 1.00 1.22 ATOM 730 HE ARG 45 22.908 -31.216 -13.893 1.00 70.11 ATOM 731 CZ ARG 45 24.494 -32.309 -14.415 1.00 73.52 ATOM 732 NH1 ARG 45 25.343 -33.258 -14.046 1.00 33.43 ATOM 733 HH11 ARG 45 25.274 -33.698 -13.151 1.00 64.03 ATOM 734 HH12 ARG 45 26.070 -33.544 -14.674 1.00 74.41 ATOM 735 NH2 ARG 45 24.613 -31.748 -15.611 1.00 41.15 ATOM 736 HH21 ARG 45 23.974 -31.031 -15.897 1.00 32.33 ATOM 737 HH22 ARG 45 25.343 -32.038 -16.234 1.00 65.13 ATOM 738 C ARG 45 19.510 -32.674 -9.934 1.00 43.04 ATOM 739 O ARG 45 19.433 -33.895 -9.793 1.00 41.42 ATOM 740 N PHE 46 18.563 -31.953 -10.526 1.00 24.22 ATOM 741 HN PHE 46 18.669 -30.978 -10.611 1.00 37.13 ATOM 742 CA PHE 46 17.352 -32.569 -11.054 1.00 14.01 ATOM 743 HA PHE 46 17.420 -33.646 -10.942 1.00 74.14 ATOM 744 CB PHE 46 16.127 -32.083 -10.277 1.00 14.52 ATOM 745 HB1 PHE 46 15.240 -32.562 -10.678 1.00 37.13 ATOM 746 HB2 PHE 46 16.031 -31.011 -10.405 1.00 73.23 ATOM 747 CG PHE 46 16.197 -32.372 -8.805 1.00 11.34 ATOM 748 CD1 PHE 46 15.518 -33.452 -8.264 1.00 61.13 ATOM 749 HD1 PHE 46 14.932 -34.093 -8.909 1.00 63.41 ATOM 750 CD2 PHE 46 16.942 -31.564 -7.961 1.00 41.32 ATOM 751 HD2 PHE 46 17.477 -30.717 -8.368 1.00 73.02 ATOM 752 CE1 PHE 46 15.581 -33.720 -6.910 1.00 14.12 ATOM 753 HE1 PHE 46 15.047 -34.565 -6.501 1.00 35.21 ATOM 754 CE2 PHE 46 17.009 -31.827 -6.606 1.00 13.21 ATOM 755 HE2 PHE 46 17.588 -31.187 -5.965 1.00 71.10 ATOM 756 CZ PHE 46 16.328 -32.907 -6.080 1.00 32.02 ATOM 757 HZ PHE 46 16.378 -33.115 -5.021 1.00 52.03 ATOM 758 C PHE 46 17.184 -32.255 -12.538 1.00 22.02 ATOM 759 O PHE 46 17.582 -31.189 -13.007 1.00 41.31 ATOM 760 N VAL 47 16.593 -33.192 -13.272 1.00 32.32 ATOM 761 HN VAL 47 16.300 -34.032 -12.848 1.00 37.13 ATOM 762 CA VAL 47 16.372 -33.017 -14.702 1.00 53.22 ATOM 763 HA VAL 47 16.635 -31.998 -14.975 1.00 61.33 ATOM 764 CB VAL 47 17.259 -33.967 -15.528 1.00 42.11 ATOM 765 HB VAL 47 16.917 -34.983 -15.377 1.00 23.35 ATOM 766 CG1 VAL 47 17.151 -33.645 -17.011 1.00 3.23 ATOM 767 HG11 VAL 47 17.816 -34.290 -17.571 1.00 62.32 ATOM 768 HG12 VAL 47 17.429 -32.615 -17.181 1.00 20.11 ATOM 769 HG13 VAL 47 16.139 -33.804 -17.351 1.00 14.53 ATOM 770 CG2 VAL 47 18.704 -33.886 -15.060 1.00 65.34 ATOM 771 HG21 VAL 47 18.773 -34.184 -14.024 1.00 41.25 ATOM 772 HG22 VAL 47 19.065 -32.873 -15.166 1.00 32.42 ATOM 773 HG23 VAL 47 19.316 -34.547 -15.659 1.00 64.14 ATOM 774 C VAL 47 14.911 -33.258 -15.066 1.00 61.53 ATOM 775 O VAL 47 14.388 -34.357 -14.879 1.00 51.52 ATOM 776 N MET 48 14.258 -32.225 -15.588 1.00 22.12 ATOM 777 HN MET 48 14.727 -31.369 -15.728 1.00 37.13 ATOM 778 CA MET 48 12.857 -32.326 -15.980 1.00 43.11 ATOM 779 HA MET 48 12.433 -33.232 -15.565 1.00 4.41 ATOM 780 CB MET 48 12.067 -31.133 -15.440 1.00 11.34 ATOM 781 HB1 MET 48 11.015 -31.283 -15.644 1.00 37.13 ATOM 782 HB2 MET 48 12.396 -30.235 -15.947 1.00 3.22 ATOM 783 CG MET 48 12.244 -30.913 -13.946 1.00 1.20 ATOM 784 HG1 MET 48 11.782 -29.985 -13.674 1.00 37.13 ATOM 785 HG2 MET 48 13.293 -30.862 -13.727 1.00 14.52 ATOM 786 SD MET 48 11.535 -32.245 -12.959 1.00 3.11 ATOM 787 CE MET 48 9.854 -31.661 -12.759 1.00 40.43 ATOM 788 HE1 MET 48 9.507 -31.235 -13.688 1.00 35.33 ATOM 789 HE2 MET 48 9.819 -30.918 -11.978 1.00 40.01 ATOM 790 HE3 MET 48 9.219 -32.492 -12.488 1.00 62.15 ATOM 791 C MET 48 12.721 -32.395 -17.498 1.00 24.21 ATOM 792 O MET 48 13.653 -32.061 -18.229 1.00 1.13 ATOM 793 N GLU 49 11.555 -32.831 -17.964 1.00 62.30 ATOM 794 HN GLU 49 10.847 -33.098 -17.331 1.00 37.13 ATOM 795 CA GLU 49 11.300 -32.945 -19.395 1.00 53.21 ATOM 796 HA GLU 49 11.977 -32.287 -19.916 1.00 14.41 ATOM 797 CB GLU 49 11.557 -34.377 -19.870 1.00 2.53 ATOM 798 HB1 GLU 49 10.923 -35.048 -19.310 1.00 37.13 ATOM 799 HB2 GLU 49 12.589 -34.623 -19.676 1.00 42.53 ATOM 800 CG GLU 49 11.282 -34.586 -21.349 1.00 61.12 ATOM 801 HG1 GLU 49 11.849 -33.861 -21.917 1.00 37.13 ATOM 802 HG2 GLU 49 10.228 -34.445 -21.536 1.00 74.44 ATOM 803 CD GLU 49 11.661 -35.976 -21.822 1.00 33.31 ATOM 804 OE1 GLU 49 12.526 -36.083 -22.716 1.00 51.03 ATOM 805 OE2 GLU 49 11.092 -36.957 -21.298 1.00 43.01 ATOM 806 C GLU 49 9.867 -32.538 -19.726 1.00 13.30 ATOM 807 O GLU 49 8.919 -32.972 -19.071 1.00 1.11 ATOM 808 N VAL 50 9.716 -31.700 -20.747 1.00 65.11 ATOM 809 HN VAL 50 10.507 -31.389 -21.243 1.00 37.13 ATOM 810 CA VAL 50 8.400 -31.234 -21.166 1.00 41.13 ATOM 811 HA VAL 50 7.648 -31.768 -20.607 1.00 15.24 ATOM 812 CB VAL 50 8.220 -29.731 -20.881 1.00 71.01 ATOM 813 HB VAL 50 8.374 -29.564 -19.825 1.00 42.41 ATOM 814 CG1 VAL 50 9.250 -28.915 -21.647 1.00 0.22 ATOM 815 HG11 VAL 50 9.219 -27.905 -21.286 1.00 12.44 ATOM 816 HG12 VAL 50 9.025 -28.914 -22.703 1.00 54.25 ATOM 817 HG13 VAL 50 10.241 -29.312 -21.488 1.00 60.11 ATOM 818 CG2 VAL 50 6.808 -29.288 -21.233 1.00 51.01 ATOM 819 HG21 VAL 50 6.665 -28.268 -20.906 1.00 4.14 ATOM 820 HG22 VAL 50 6.089 -29.923 -20.733 1.00 41.40 ATOM 821 HG23 VAL 50 6.652 -29.342 -22.301 1.00 71.25 ATOM 822 C VAL 50 8.174 -31.489 -22.652 1.00 43.33 ATOM 823 O VAL 50 9.011 -31.141 -23.485 1.00 54.03 ATOM 824 N GLU 51 7.038 -32.098 -22.977 1.00 0.42 ATOM 825 HN GLU 51 6.394 -32.342 -22.270 1.00 37.13 ATOM 826 CA GLU 51 6.703 -32.399 -24.364 1.00 32.15 ATOM 827 HA GLU 51 7.608 -32.379 -24.956 1.00 65.44 ATOM 828 CB GLU 51 6.100 -33.801 -24.473 1.00 23.45 ATOM 829 HB1 GLU 51 5.271 -33.868 -23.782 1.00 37.13 ATOM 830 HB2 GLU 51 6.843 -34.528 -24.194 1.00 62.14 ATOM 831 CG GLU 51 5.590 -34.138 -25.863 1.00 71.15 ATOM 832 HG1 GLU 51 6.427 -34.161 -26.544 1.00 37.13 ATOM 833 HG2 GLU 51 4.886 -33.386 -26.185 1.00 53.03 ATOM 834 CD GLU 51 4.884 -35.479 -25.917 1.00 14.10 ATOM 835 OE1 GLU 51 4.112 -35.706 -26.872 1.00 61.01 ATOM 836 OE2 GLU 51 5.103 -36.301 -25.003 1.00 21.21 ATOM 837 C GLU 51 5.726 -31.369 -24.923 1.00 70.15 ATOM 838 O GLU 51 4.653 -31.145 -24.363 1.00 21.33 ATOM 839 N VAL 52 6.106 -30.744 -26.033 1.00 50.04 ATOM 840 HN VAL 52 6.979 -30.953 -26.438 1.00 37.13 ATOM 841 CA VAL 52 5.265 -29.738 -26.670 1.00 54.04 ATOM 842 HA VAL 52 4.271 -29.779 -26.231 1.00 72.03 ATOM 843 CB VAL 52 5.818 -28.318 -26.444 1.00 32.42 ATOM 844 HB VAL 52 6.791 -28.247 -26.913 1.00 24.30 ATOM 845 CG1 VAL 52 4.906 -27.282 -27.083 1.00 5.31 ATOM 846 HG11 VAL 52 4.925 -27.384 -28.157 1.00 60.54 ATOM 847 HG12 VAL 52 5.246 -26.288 -26.822 1.00 53.22 ATOM 848 HG13 VAL 52 3.893 -27.416 -26.727 1.00 11.01 ATOM 849 CG2 VAL 52 5.990 -28.045 -24.957 1.00 73.22 ATOM 850 HG21 VAL 52 5.049 -27.976 -24.478 1.00 1.52 ATOM 851 HG22 VAL 52 6.509 -27.110 -24.847 1.00 2.22 ATOM 852 HG23 VAL 52 6.580 -28.823 -24.496 1.00 14.23 ATOM 853 C VAL 52 5.144 -29.991 -28.169 1.00 20.31 ATOM 854 O VAL 52 6.110 -29.833 -28.915 1.00 62.14 ATOM 855 N ASP 53 3.952 -30.385 -28.603 1.00 13.34 ATOM 856 HN ASP 53 3.210 -30.500 -27.967 1.00 37.13 ATOM 857 CA ASP 53 3.703 -30.659 -30.013 1.00 43.22 ATOM 858 HA ASP 53 2.665 -30.940 -30.102 1.00 72.12 ATOM 859 CB ASP 53 3.987 -29.413 -30.854 1.00 63.34 ATOM 860 HB1 ASP 53 5.008 -29.420 -31.197 1.00 37.13 ATOM 861 HB2 ASP 53 3.827 -28.529 -30.252 1.00 2.53 ATOM 862 CG ASP 53 3.084 -29.316 -32.068 1.00 64.44 ATOM 863 OD1 ASP 53 3.094 -28.258 -32.731 1.00 60.44 ATOM 864 OD2 ASP 53 2.367 -30.298 -32.355 1.00 24.20 ATOM 865 C ASP 53 4.561 -31.823 -30.500 1.00 11.21 ATOM 866 O ASP 53 4.911 -31.900 -31.677 1.00 14.12 ATOM 867 N GLY 54 4.897 -32.727 -29.585 1.00 3.24 ATOM 868 HN GLY 54 4.578 -32.647 -28.660 1.00 37.13 ATOM 869 CA GLY 54 5.712 -33.874 -29.940 1.00 3.14 ATOM 870 HA1 GLY 54 5.561 -34.136 -30.981 1.00 37.13 ATOM 871 HA2 GLY 54 5.404 -34.711 -29.330 1.00 20.20 ATOM 872 C GLY 54 7.190 -33.630 -29.705 1.00 32.44 ATOM 873 O GLY 54 8.001 -34.549 -29.816 1.00 45.32 ATOM 874 N GLN 55 7.539 -32.390 -29.380 1.00 42.21 ATOM 875 HN GLN 55 6.867 -31.695 -29.283 1.00 37.13 ATOM 876 CA GLN 55 8.930 -32.029 -29.131 1.00 51.35 ATOM 877 HA GLN 55 9.572 -32.745 -29.635 1.00 73.41 ATOM 878 CB GLN 55 9.230 -30.644 -29.708 1.00 62.13 ATOM 879 HB1 GLN 55 10.281 -30.424 -29.579 1.00 37.13 ATOM 880 HB2 GLN 55 8.645 -29.917 -29.165 1.00 33.21 ATOM 881 CG GLN 55 8.891 -30.513 -31.184 1.00 61.44 ATOM 882 HG1 GLN 55 7.977 -31.049 -31.401 1.00 37.13 ATOM 883 HG2 GLN 55 9.697 -30.940 -31.761 1.00 30.34 ATOM 884 CD GLN 55 8.708 -29.072 -31.616 1.00 2.43 ATOM 885 OE1 GLN 55 9.593 -28.480 -32.235 1.00 11.33 ATOM 886 NE2 GLN 55 7.556 -28.498 -31.290 1.00 53.24 ATOM 887 HE21 GLN 55 6.902 -29.015 -30.777 1.00 34.25 ATOM 888 HE22 GLN 55 7.385 -27.598 -31.614 1.00 2.52 ATOM 889 C GLN 55 9.239 -32.048 -27.638 1.00 72.31 ATOM 890 O GLN 55 8.729 -31.226 -26.877 1.00 2.22 ATOM 891 N LYS 56 10.076 -32.993 -27.225 1.00 25.23 ATOM 892 HN LYS 56 10.471 -33.614 -27.883 1.00 37.13 ATOM 893 CA LYS 56 10.455 -33.121 -25.822 1.00 40.44 ATOM 894 HA LYS 56 9.627 -32.788 -25.211 1.00 50.34 ATOM 895 CB LYS 56 10.748 -34.584 -25.483 1.00 12.22 ATOM 896 HB1 LYS 56 11.222 -34.632 -24.509 1.00 37.13 ATOM 897 HB2 LYS 56 11.434 -34.984 -26.217 1.00 11.20 ATOM 898 CG LYS 56 9.506 -35.456 -25.430 1.00 74.33 ATOM 899 HG1 LYS 56 8.674 -34.872 -25.069 1.00 37.13 ATOM 900 HG2 LYS 56 9.690 -36.276 -24.751 1.00 34.12 ATOM 901 CD LYS 56 9.164 -36.023 -26.798 1.00 63.40 ATOM 902 HD1 LYS 56 9.979 -36.652 -27.129 1.00 37.13 ATOM 903 HD2 LYS 56 9.024 -35.216 -27.498 1.00 31.11 ATOM 904 CE LYS 56 7.885 -36.845 -26.757 1.00 71.03 ATOM 905 HE1 LYS 56 7.069 -36.198 -27.006 1.00 37.13 ATOM 906 HE2 LYS 56 7.735 -37.257 -25.768 1.00 62.34 ATOM 907 NZ LYS 56 7.912 -37.962 -27.741 1.00 73.35 ATOM 908 HZ1 LYS 56 8.018 -37.590 -28.708 1.00 4.32 ATOM 909 HZ2 LYS 56 7.025 -38.503 -27.688 1.00 33.53 ATOM 910 HZ3 LYS 56 8.706 -38.605 -27.538 1.00 42.24 ATOM 911 C LYS 56 11.675 -32.261 -25.508 1.00 1.21 ATOM 912 O LYS 56 12.694 -32.336 -26.195 1.00 72.11 ATOM 913 N PHE 57 11.565 -31.445 -24.464 1.00 64.25 ATOM 914 HN PHE 57 10.731 -31.422 -23.945 1.00 37.13 ATOM 915 CA PHE 57 12.660 -30.571 -24.059 1.00 21.53 ATOM 916 HA PHE 57 13.512 -30.745 -24.708 1.00 43.31 ATOM 917 CB PHE 57 12.249 -29.104 -24.199 1.00 32.41 ATOM 918 HB1 PHE 57 13.079 -28.478 -23.901 1.00 37.13 ATOM 919 HB2 PHE 57 11.411 -28.907 -23.540 1.00 3.01 ATOM 920 CG PHE 57 11.849 -28.725 -25.596 1.00 44.31 ATOM 921 CD1 PHE 57 10.547 -28.907 -26.032 1.00 70.33 ATOM 922 HD1 PHE 57 9.812 -29.327 -25.359 1.00 73.03 ATOM 923 CD2 PHE 57 12.776 -28.185 -26.473 1.00 42.22 ATOM 924 HD2 PHE 57 13.797 -28.037 -26.148 1.00 42.14 ATOM 925 CE1 PHE 57 10.177 -28.560 -27.318 1.00 2.52 ATOM 926 HE1 PHE 57 9.159 -28.700 -27.639 1.00 31.35 ATOM 927 CE2 PHE 57 12.412 -27.835 -27.760 1.00 1.42 ATOM 928 HE2 PHE 57 13.144 -27.414 -28.433 1.00 35.11 ATOM 929 CZ PHE 57 11.111 -28.021 -28.182 1.00 75.42 ATOM 930 HZ PHE 57 10.824 -27.749 -29.187 1.00 61.20 ATOM 931 C PHE 57 13.080 -30.858 -22.620 1.00 63.31 ATOM 932 O PHE 57 12.249 -30.877 -21.713 1.00 3.35 ATOM 933 N GLN 58 14.375 -31.082 -22.422 1.00 23.04 ATOM 934 HN GLN 58 15.001 -31.044 -23.182 1.00 37.13 ATOM 935 CA GLN 58 14.906 -31.369 -21.094 1.00 73.31 ATOM 936 HA GLN 58 14.078 -31.535 -20.422 1.00 74.13 ATOM 937 CB GLN 58 15.777 -32.626 -21.131 1.00 34.32 ATOM 938 HB1 GLN 58 16.620 -32.509 -20.459 1.00 37.13 ATOM 939 HB2 GLN 58 16.157 -32.761 -22.136 1.00 32.11 ATOM 940 CG GLN 58 15.038 -33.890 -20.721 1.00 61.34 ATOM 941 HG1 GLN 58 14.093 -33.933 -21.247 1.00 37.13 ATOM 942 HG2 GLN 58 14.854 -33.855 -19.658 1.00 64.21 ATOM 943 CD GLN 58 15.821 -35.151 -21.034 1.00 14.42 ATOM 944 OE1 GLN 58 17.031 -35.105 -21.256 1.00 11.33 ATOM 945 NE2 GLN 58 15.132 -36.286 -21.053 1.00 0.13 ATOM 946 HE21 GLN 58 14.170 -36.264 -20.865 1.00 31.24 ATOM 947 HE22 GLN 58 15.619 -37.111 -21.257 1.00 23.34 ATOM 948 C GLN 58 15.716 -30.190 -20.565 1.00 34.54 ATOM 949 O GLN 58 16.355 -29.470 -21.330 1.00 13.21 ATOM 950 N GLY 59 15.684 -30.000 -19.249 1.00 54.21 ATOM 951 HN GLY 59 15.146 -30.602 -18.681 1.00 37.13 ATOM 952 CA GLY 59 16.418 -28.907 -18.640 1.00 4.41 ATOM 953 HA1 GLY 59 15.777 -28.038 -18.608 1.00 37.13 ATOM 954 HA2 GLY 59 17.291 -28.671 -19.240 1.00 1.44 ATOM 955 C GLY 59 16.869 -29.226 -17.228 1.00 74.22 ATOM 956 O GLY 59 16.134 -29.847 -16.461 1.00 13.12 ATOM 957 N ALA 60 18.081 -28.803 -16.885 1.00 53.32 ATOM 958 HN ALA 60 18.630 -28.308 -17.535 1.00 37.13 ATOM 959 CA ALA 60 18.628 -29.047 -15.556 1.00 74.24 ATOM 960 HA ALA 60 17.917 -29.623 -14.974 1.00 44.23 ATOM 961 CB ALA 60 19.905 -29.868 -15.654 1.00 41.23 ATOM 962 HB1 ALA 60 20.656 -29.311 -16.197 1.00 11.23 ATOM 963 HB2 ALA 60 19.698 -30.790 -16.176 1.00 11.51 ATOM 964 HB3 ALA 60 20.270 -30.093 -14.662 1.00 72.53 ATOM 965 C ALA 60 18.893 -27.737 -14.822 1.00 61.14 ATOM 966 O ALA 60 19.052 -26.687 -15.444 1.00 21.32 ATOM 967 N GLY 61 18.939 -27.806 -13.495 1.00 70.23 ATOM 968 HN GLY 61 18.794 -28.673 -13.047 1.00 37.13 ATOM 969 CA GLY 61 19.185 -26.618 -12.699 1.00 35.22 ATOM 970 HA1 GLY 61 18.264 -26.070 -12.621 1.00 37.13 ATOM 971 HA2 GLY 61 19.922 -25.995 -13.194 1.00 25.01 ATOM 972 C GLY 61 19.693 -26.947 -11.309 1.00 53.10 ATOM 973 O GLY 61 20.657 -27.697 -11.154 1.00 54.34 ATOM 974 N SER 62 19.044 -26.383 -10.295 1.00 22.32 ATOM 975 HN SER 62 18.304 -25.767 -10.477 1.00 37.13 ATOM 976 CA SER 62 19.440 -26.616 -8.911 1.00 34.33 ATOM 977 HA SER 62 20.348 -27.206 -8.889 1.00 73.22 ATOM 978 CB SER 62 19.717 -25.287 -8.207 1.00 3.43 ATOM 979 HB1 SER 62 19.750 -25.436 -7.134 1.00 37.13 ATOM 980 HB2 SER 62 18.933 -24.583 -8.446 1.00 52.42 ATOM 981 OG SER 62 20.958 -24.740 -8.620 1.00 74.01 ATOM 982 HG SER 62 21.675 -25.171 -8.148 1.00 45.12 ATOM 983 C SER 62 18.358 -27.387 -8.159 1.00 43.41 ATOM 984 O SER 62 18.647 -28.123 -7.217 1.00 70.53 ATOM 985 N ASN 63 17.111 -27.210 -8.583 1.00 42.54 ATOM 986 HN ASN 63 16.921 -26.584 -9.306 1.00 37.13 ATOM 987 CA ASN 63 15.985 -27.887 -7.951 1.00 2.12 ATOM 988 HA ASN 63 16.331 -28.819 -7.520 1.00 32.12 ATOM 989 CB ASN 63 15.401 -27.017 -6.836 1.00 22.44 ATOM 990 HB1 ASN 63 16.004 -27.149 -5.948 1.00 37.13 ATOM 991 HB2 ASN 63 14.387 -27.313 -6.608 1.00 51.35 ATOM 992 CG ASN 63 15.394 -25.544 -7.195 1.00 70.10 ATOM 993 OD1 ASN 63 14.518 -25.075 -7.922 1.00 34.25 ATOM 994 ND2 ASN 63 16.374 -24.806 -6.686 1.00 61.44 ATOM 995 HD21 ASN 63 17.049 -25.233 -6.112 1.00 13.43 ATOM 996 HD22 ASN 63 16.385 -23.851 -6.905 1.00 42.30 ATOM 997 C ASN 63 14.903 -28.215 -8.975 1.00 31.12 ATOM 998 O ASN 63 15.040 -27.910 -10.160 1.00 2.03 ATOM 999 N LYS 64 13.826 -28.839 -8.510 1.00 14.54 ATOM 1000 HN LYS 64 13.782 -29.085 -7.556 1.00 37.13 ATOM 1001 CA LYS 64 12.718 -29.207 -9.383 1.00 34.22 ATOM 1002 HA LYS 64 13.095 -29.894 -10.131 1.00 4.43 ATOM 1003 CB LYS 64 11.612 -29.892 -8.576 1.00 71.13 ATOM 1004 HB1 LYS 64 10.663 -29.755 -9.086 1.00 37.13 ATOM 1005 HB2 LYS 64 11.549 -29.431 -7.599 1.00 21.33 ATOM 1006 CG LYS 64 11.834 -31.382 -8.383 1.00 22.14 ATOM 1007 HG1 LYS 64 12.583 -31.518 -7.614 1.00 37.13 ATOM 1008 HG2 LYS 64 12.185 -31.815 -9.311 1.00 5.11 ATOM 1009 CD LYS 64 10.552 -32.089 -7.974 1.00 45.33 ATOM 1010 HD1 LYS 64 9.960 -32.278 -8.858 1.00 37.13 ATOM 1011 HD2 LYS 64 9.992 -31.464 -7.290 1.00 44.51 ATOM 1012 CE LYS 64 10.842 -33.413 -7.284 1.00 54.12 ATOM 1013 HE1 LYS 64 11.397 -33.220 -6.377 1.00 37.13 ATOM 1014 HE2 LYS 64 11.434 -34.032 -7.944 1.00 75.40 ATOM 1015 NZ LYS 64 9.590 -34.143 -6.938 1.00 5.42 ATOM 1016 HZ1 LYS 64 9.822 -35.042 -6.469 1.00 54.52 ATOM 1017 HZ2 LYS 64 9.041 -34.349 -7.798 1.00 21.34 ATOM 1018 HZ3 LYS 64 9.004 -33.572 -6.293 1.00 15.11 ATOM 1019 C LYS 64 12.156 -27.982 -10.096 1.00 42.44 ATOM 1020 O LYS 64 11.901 -28.014 -11.301 1.00 2.25 ATOM 1021 N LYS 65 11.967 -26.901 -9.347 1.00 31.13 ATOM 1022 HN LYS 65 12.207 -26.934 -8.393 1.00 37.13 ATOM 1023 CA LYS 65 11.438 -25.663 -9.907 1.00 64.23 ATOM 1024 HA LYS 65 10.453 -25.867 -10.303 1.00 61.25 ATOM 1025 CB LYS 65 11.321 -24.595 -8.818 1.00 35.24 ATOM 1026 HB1 LYS 65 10.890 -23.701 -9.252 1.00 37.13 ATOM 1027 HB2 LYS 65 12.307 -24.364 -8.451 1.00 63.33 ATOM 1028 CG LYS 65 10.452 -25.016 -7.645 1.00 21.22 ATOM 1029 HG1 LYS 65 10.842 -25.926 -7.214 1.00 37.13 ATOM 1030 HG2 LYS 65 9.449 -25.193 -8.005 1.00 11.32 ATOM 1031 CD LYS 65 10.400 -23.939 -6.575 1.00 13.33 ATOM 1032 HD1 LYS 65 9.637 -24.202 -5.857 1.00 37.13 ATOM 1033 HD2 LYS 65 10.152 -22.989 -7.029 1.00 63.22 ATOM 1034 CE LYS 65 11.730 -23.809 -5.849 1.00 10.22 ATOM 1035 HE1 LYS 65 12.452 -23.371 -6.521 1.00 37.13 ATOM 1036 HE2 LYS 65 12.070 -24.791 -5.546 1.00 33.32 ATOM 1037 NZ LYS 65 11.619 -22.951 -4.637 1.00 0.32 ATOM 1038 HZ1 LYS 65 12.543 -22.884 -4.165 1.00 65.23 ATOM 1039 HZ2 LYS 65 10.932 -23.356 -3.968 1.00 72.22 ATOM 1040 HZ3 LYS 65 11.307 -21.992 -4.899 1.00 2.43 ATOM 1041 C LYS 65 12.327 -25.155 -11.038 1.00 2.00 ATOM 1042 O LYS 65 11.874 -24.989 -12.170 1.00 41.25 ATOM 1043 N VAL 66 13.596 -24.911 -10.724 1.00 34.03 ATOM 1044 HN VAL 66 13.901 -25.099 -9.806 1.00 37.13 ATOM 1045 CA VAL 66 14.549 -24.424 -11.714 1.00 34.31 ATOM 1046 HA VAL 66 14.232 -23.436 -12.024 1.00 10.44 ATOM 1047 CB VAL 66 15.967 -24.318 -11.123 1.00 0.10 ATOM 1048 HB VAL 66 16.295 -25.307 -10.852 1.00 53.13 ATOM 1049 CG1 VAL 66 16.935 -23.759 -12.155 1.00 11.24 ATOM 1050 HG11 VAL 66 16.964 -24.386 -13.032 1.00 23.33 ATOM 1051 HG12 VAL 66 17.927 -23.707 -11.728 1.00 43.20 ATOM 1052 HG13 VAL 66 16.617 -22.779 -12.425 1.00 52.35 ATOM 1053 CG2 VAL 66 15.958 -23.459 -9.868 1.00 14.42 ATOM 1054 HG21 VAL 66 14.958 -23.309 -9.493 1.00 52.11 ATOM 1055 HG22 VAL 66 16.392 -22.489 -10.075 1.00 52.44 ATOM 1056 HG23 VAL 66 16.548 -23.947 -9.111 1.00 23.33 ATOM 1057 C VAL 66 14.586 -25.336 -12.935 1.00 71.03 ATOM 1058 O VAL 66 14.421 -24.882 -14.067 1.00 1.41 ATOM 1059 N ALA 67 14.803 -26.625 -12.698 1.00 21.51 ATOM 1060 HN ALA 67 14.931 -26.928 -11.767 1.00 37.13 ATOM 1061 CA ALA 67 14.859 -27.602 -13.778 1.00 64.23 ATOM 1062 HA ALA 67 15.712 -27.366 -14.400 1.00 13.13 ATOM 1063 CB ALA 67 15.060 -29.001 -13.215 1.00 71.30 ATOM 1064 HB1 ALA 67 14.224 -29.261 -12.582 1.00 51.44 ATOM 1065 HB2 ALA 67 15.969 -29.023 -12.632 1.00 62.23 ATOM 1066 HB3 ALA 67 15.138 -29.713 -14.025 1.00 54.33 ATOM 1067 C ALA 67 13.597 -27.550 -14.632 1.00 41.43 ATOM 1068 O ALA 67 13.642 -27.782 -15.840 1.00 71.35 ATOM 1069 N LYS 68 12.471 -27.243 -13.997 1.00 60.21 ATOM 1070 HN LYS 68 12.486 -27.087 -13.025 1.00 37.13 ATOM 1071 CA LYS 68 11.195 -27.159 -14.698 1.00 22.22 ATOM 1072 HA LYS 68 11.103 -28.027 -15.343 1.00 74.14 ATOM 1073 CB LYS 68 10.039 -27.150 -13.695 1.00 51.54 ATOM 1074 HB1 LYS 68 9.242 -26.536 -14.089 1.00 37.13 ATOM 1075 HB2 LYS 68 10.371 -26.721 -12.764 1.00 75.04 ATOM 1076 CG LYS 68 9.480 -28.530 -13.398 1.00 60.21 ATOM 1077 HG1 LYS 68 10.200 -29.043 -12.792 1.00 37.13 ATOM 1078 HG2 LYS 68 9.325 -29.073 -14.321 1.00 52.14 ATOM 1079 CD LYS 68 8.173 -28.449 -12.627 1.00 41.33 ATOM 1080 HD1 LYS 68 8.293 -27.787 -11.779 1.00 37.13 ATOM 1081 HD2 LYS 68 7.917 -29.438 -12.276 1.00 35.53 ATOM 1082 CE LYS 68 7.041 -27.935 -13.503 1.00 14.20 ATOM 1083 HE1 LYS 68 7.004 -28.520 -14.400 1.00 37.13 ATOM 1084 HE2 LYS 68 7.225 -26.903 -13.752 1.00 4.23 ATOM 1085 NZ LYS 68 5.722 -28.032 -12.818 1.00 71.31 ATOM 1086 HZ1 LYS 68 5.726 -27.467 -11.943 1.00 53.11 ATOM 1087 HZ2 LYS 68 5.510 -29.023 -12.578 1.00 40.44 ATOM 1088 HZ3 LYS 68 4.971 -27.674 -13.443 1.00 23.22 ATOM 1089 C LYS 68 11.135 -25.910 -15.571 1.00 62.12 ATOM 1090 O LYS 68 10.476 -25.899 -16.610 1.00 52.11 ATOM 1091 N ALA 69 11.829 -24.860 -15.143 1.00 60.51 ATOM 1092 HN ALA 69 12.316 -24.912 -14.294 1.00 37.13 ATOM 1093 CA ALA 69 11.857 -23.608 -15.888 1.00 41.02 ATOM 1094 HA ALA 69 10.843 -23.353 -16.153 1.00 12.10 ATOM 1095 CB ALA 69 12.411 -22.489 -15.018 1.00 54.15 ATOM 1096 HB1 ALA 69 12.363 -21.553 -15.556 1.00 14.34 ATOM 1097 HB2 ALA 69 13.438 -22.703 -14.758 1.00 31.13 ATOM 1098 HB3 ALA 69 11.822 -22.413 -14.116 1.00 30.44 ATOM 1099 C ALA 69 12.681 -23.746 -17.164 1.00 24.34 ATOM 1100 O ALA 69 12.260 -23.313 -18.236 1.00 45.34 ATOM 1101 N TYR 70 13.857 -24.352 -17.040 1.00 1.23 ATOM 1102 HN TYR 70 14.143 -24.678 -16.153 1.00 37.13 ATOM 1103 CA TYR 70 14.742 -24.544 -18.183 1.00 30.25 ATOM 1104 HA TYR 70 14.877 -23.588 -18.664 1.00 13.24 ATOM 1105 CB TYR 70 16.096 -25.087 -17.721 1.00 15.45 ATOM 1106 HB1 TYR 70 16.563 -25.637 -18.530 1.00 37.13 ATOM 1107 HB2 TYR 70 15.943 -25.762 -16.888 1.00 51.42 ATOM 1108 CG TYR 70 17.068 -24.008 -17.298 1.00 72.45 ATOM 1109 CD1 TYR 70 17.695 -24.057 -16.059 1.00 73.33 ATOM 1110 HD1 TYR 70 17.477 -24.875 -15.389 1.00 15.31 ATOM 1111 CD2 TYR 70 17.359 -22.940 -18.138 1.00 20.31 ATOM 1112 HD2 TYR 70 16.884 -22.883 -19.107 1.00 34.52 ATOM 1113 CE1 TYR 70 18.583 -23.074 -15.669 1.00 22.21 ATOM 1114 HE1 TYR 70 19.060 -23.131 -14.702 1.00 11.52 ATOM 1115 CE2 TYR 70 18.247 -21.954 -17.757 1.00 3.44 ATOM 1116 HE2 TYR 70 18.461 -21.133 -18.425 1.00 21.45 ATOM 1117 CZ TYR 70 18.857 -22.025 -16.521 1.00 54.32 ATOM 1118 OH TYR 70 19.741 -21.043 -16.137 1.00 40.00 ATOM 1119 HH TYR 70 20.640 -21.384 -16.164 1.00 10.33 ATOM 1120 C TYR 70 14.120 -25.497 -19.199 1.00 12.30 ATOM 1121 O TYR 70 14.218 -25.284 -20.407 1.00 5.00 ATOM 1122 N ALA 71 13.478 -26.548 -18.699 1.00 41.24 ATOM 1123 HN ALA 71 13.444 -26.678 -17.722 1.00 37.13 ATOM 1124 CA ALA 71 12.837 -27.532 -19.562 1.00 70.31 ATOM 1125 HA ALA 71 13.601 -27.989 -20.178 1.00 75.14 ATOM 1126 CB ALA 71 12.192 -28.627 -18.725 1.00 71.12 ATOM 1127 HB1 ALA 71 12.940 -29.079 -18.091 1.00 73.25 ATOM 1128 HB2 ALA 71 11.770 -29.381 -19.375 1.00 53.15 ATOM 1129 HB3 ALA 71 11.411 -28.203 -18.110 1.00 10.23 ATOM 1130 C ALA 71 11.801 -26.876 -20.468 1.00 75.31 ATOM 1131 O ALA 71 11.693 -27.210 -21.648 1.00 22.24 ATOM 1132 N ALA 72 11.039 -25.942 -19.908 1.00 40.14 ATOM 1133 HN ALA 72 11.166 -25.714 -18.956 1.00 37.13 ATOM 1134 CA ALA 72 10.012 -25.238 -20.666 1.00 71.35 ATOM 1135 HA ALA 72 9.533 -25.933 -21.338 1.00 14.22 ATOM 1136 CB ALA 72 8.945 -24.693 -19.729 1.00 52.32 ATOM 1137 HB1 ALA 72 9.387 -23.976 -19.052 1.00 73.13 ATOM 1138 HB2 ALA 72 8.522 -25.501 -19.164 1.00 43.11 ATOM 1139 HB3 ALA 72 8.165 -24.213 -20.304 1.00 21.42 ATOM 1140 C ALA 72 10.617 -24.111 -21.496 1.00 2.34 ATOM 1141 O ALA 72 10.235 -23.899 -22.647 1.00 50.22 ATOM 1142 N LEU 73 11.562 -23.389 -20.903 1.00 65.25 ATOM 1143 HN LEU 73 11.812 -23.591 -19.972 1.00 37.13 ATOM 1144 CA LEU 73 12.221 -22.282 -21.588 1.00 12.44 ATOM 1145 HA LEU 73 11.476 -21.534 -21.768 1.00 12.21 ATOM 1146 CB LEU 73 13.338 -21.709 -20.714 1.00 44.22 ATOM 1147 HB1 LEU 73 14.196 -21.488 -21.343 1.00 37.13 ATOM 1148 HB2 LEU 73 13.642 -22.464 -20.008 1.00 14.04 ATOM 1149 CG LEU 73 12.999 -20.435 -19.939 1.00 73.31 ATOM 1150 HG LEU 73 12.169 -20.631 -19.308 1.00 51.43 ATOM 1151 CD1 LEU 73 14.167 -20.018 -19.059 1.00 33.51 ATOM 1152 HD11 LEU 73 14.402 -20.815 -18.367 1.00 0.12 ATOM 1153 HD12 LEU 73 13.902 -19.131 -18.501 1.00 22.52 ATOM 1154 HD13 LEU 73 15.032 -19.810 -19.674 1.00 43.40 ATOM 1155 CD2 LEU 73 12.622 -19.313 -20.896 1.00 23.23 ATOM 1156 HD21 LEU 73 11.726 -19.573 -21.435 1.00 22.03 ATOM 1157 HD22 LEU 73 13.427 -19.145 -21.598 1.00 13.35 ATOM 1158 HD23 LEU 73 12.444 -18.404 -20.336 1.00 40.24 ATOM 1159 C LEU 73 12.789 -22.731 -22.930 1.00 73.10 ATOM 1160 O LEU 73 12.670 -22.027 -23.932 1.00 71.24 ATOM 1161 N ALA 74 13.404 -23.909 -22.942 1.00 2.13 ATOM 1162 HN ALA 74 13.484 -24.424 -22.104 1.00 37.13 ATOM 1163 CA ALA 74 13.987 -24.454 -24.162 1.00 35.44 ATOM 1164 HA ALA 74 14.799 -23.808 -24.464 1.00 70.35 ATOM 1165 CB ALA 74 14.559 -25.839 -23.899 1.00 61.45 ATOM 1166 HB1 ALA 74 13.774 -26.490 -23.548 1.00 74.44 ATOM 1167 HB2 ALA 74 15.330 -25.770 -23.146 1.00 0.25 ATOM 1168 HB3 ALA 74 14.983 -26.241 -24.809 1.00 71.02 ATOM 1169 C ALA 74 12.956 -24.510 -25.285 1.00 4.44 ATOM 1170 O ALA 74 13.278 -24.263 -26.447 1.00 35.23 ATOM 1171 N ALA 75 11.718 -24.835 -24.930 1.00 33.14 ATOM 1172 HN ALA 75 11.514 -25.025 -23.984 1.00 37.13 ATOM 1173 CA ALA 75 10.640 -24.921 -25.908 1.00 25.22 ATOM 1174 HA ALA 75 11.047 -25.289 -26.844 1.00 33.52 ATOM 1175 CB ALA 75 9.585 -25.914 -25.444 1.00 71.22 ATOM 1176 HB1 ALA 75 9.074 -26.323 -26.300 1.00 20.32 ATOM 1177 HB2 ALA 75 8.865 -25.419 -24.803 1.00 74.22 ATOM 1178 HB3 ALA 75 10.052 -26.705 -24.886 1.00 43.33 ATOM 1179 C ALA 75 10.012 -23.554 -26.154 1.00 14.03 ATOM 1180 O ALA 75 9.461 -23.296 -27.225 1.00 30.01 ATOM 1181 N LEU 76 10.096 -22.681 -25.156 1.00 21.12 ATOM 1182 HN LEU 76 10.516 -22.947 -24.312 1.00 37.13 ATOM 1183 CA LEU 76 9.534 -21.339 -25.264 1.00 23.14 ATOM 1184 HA LEU 76 8.550 -21.428 -25.685 1.00 53.32 ATOM 1185 CB LEU 76 9.450 -20.688 -23.882 1.00 55.11 ATOM 1186 HB1 LEU 76 9.564 -19.614 -23.994 1.00 37.13 ATOM 1187 HB2 LEU 76 10.276 -21.046 -23.293 1.00 32.12 ATOM 1188 CG LEU 76 8.158 -20.936 -23.101 1.00 65.02 ATOM 1189 HG LEU 76 8.037 -21.998 -22.963 1.00 61.30 ATOM 1190 CD1 LEU 76 8.232 -20.285 -21.729 1.00 35.45 ATOM 1191 HD11 LEU 76 7.334 -20.505 -21.173 1.00 24.01 ATOM 1192 HD12 LEU 76 8.336 -19.214 -21.836 1.00 74.31 ATOM 1193 HD13 LEU 76 9.084 -20.676 -21.204 1.00 53.12 ATOM 1194 CD2 LEU 76 6.957 -20.415 -23.877 1.00 64.31 ATOM 1195 HD21 LEU 76 6.677 -21.150 -24.608 1.00 61.10 ATOM 1196 HD22 LEU 76 7.197 -19.483 -24.371 1.00 62.45 ATOM 1197 HD23 LEU 76 6.122 -20.258 -23.208 1.00 44.42 ATOM 1198 C LEU 76 10.372 -20.471 -26.197 1.00 24.31 ATOM 1199 O LEU 76 9.835 -19.717 -27.007 1.00 62.22 ATOM 1200 N GLU 77 11.692 -20.586 -26.078 1.00 15.34 ATOM 1201 HN GLU 77 12.068 -21.217 -25.423 1.00 37.13 ATOM 1202 CA GLU 77 12.603 -19.812 -26.912 1.00 42.01 ATOM 1203 HA GLU 77 12.193 -18.817 -27.039 1.00 12.14 ATOM 1204 CB GLU 77 13.970 -19.691 -26.236 1.00 4.53 ATOM 1205 HB1 GLU 77 14.583 -19.001 -26.801 1.00 37.13 ATOM 1206 HB2 GLU 77 14.449 -20.662 -26.234 1.00 40.31 ATOM 1207 CG GLU 77 13.897 -19.209 -24.797 1.00 13.54 ATOM 1208 HG1 GLU 77 14.868 -19.340 -24.344 1.00 37.13 ATOM 1209 HG2 GLU 77 13.174 -19.784 -24.250 1.00 11.04 ATOM 1210 CD GLU 77 13.519 -17.744 -24.690 1.00 50.25 ATOM 1211 OE1 GLU 77 14.428 -16.890 -24.757 1.00 15.13 ATOM 1212 OE2 GLU 77 12.314 -17.452 -24.541 1.00 52.04 ATOM 1213 C GLU 77 12.759 -20.454 -28.288 1.00 24.14 ATOM 1214 O GLU 77 13.063 -19.778 -29.271 1.00 10.14 ATOM 1215 N LYS 78 12.550 -21.765 -28.349 1.00 42.22 ATOM 1216 HN LYS 78 12.315 -22.264 -27.533 1.00 37.13 ATOM 1217 CA LYS 78 12.666 -22.501 -29.603 1.00 3.54 ATOM 1218 HA LYS 78 13.487 -22.080 -30.174 1.00 52.55 ATOM 1219 CB LYS 78 12.968 -23.975 -29.326 1.00 62.22 ATOM 1220 HB1 LYS 78 12.140 -24.420 -28.791 1.00 37.13 ATOM 1221 HB2 LYS 78 13.849 -24.018 -28.703 1.00 30.33 ATOM 1222 CG LYS 78 13.265 -24.781 -30.579 1.00 54.44 ATOM 1223 HG1 LYS 78 14.025 -25.512 -30.334 1.00 37.13 ATOM 1224 HG2 LYS 78 13.637 -24.127 -31.359 1.00 71.24 ATOM 1225 CD LYS 78 12.025 -25.498 -31.087 1.00 41.03 ATOM 1226 HD1 LYS 78 11.464 -24.813 -31.701 1.00 37.13 ATOM 1227 HD2 LYS 78 11.415 -25.828 -30.256 1.00 14.14 ATOM 1228 CE LYS 78 12.389 -26.711 -31.929 1.00 61.23 ATOM 1229 HE1 LYS 78 11.492 -27.106 -32.369 1.00 37.13 ATOM 1230 HE2 LYS 78 12.837 -27.458 -31.292 1.00 64.51 ATOM 1231 NZ LYS 78 13.344 -26.364 -33.018 1.00 74.34 ATOM 1232 HZ1 LYS 78 14.288 -26.173 -32.627 1.00 74.14 ATOM 1233 HZ2 LYS 78 13.019 -25.522 -33.540 1.00 21.14 ATOM 1234 HZ3 LYS 78 13.418 -27.158 -33.686 1.00 3.54 ATOM 1235 C LYS 78 11.388 -22.378 -30.426 1.00 21.01 ATOM 1236 O LYS 78 11.434 -22.093 -31.623 1.00 73.14 ATOM 1237 N LEU 79 10.249 -22.593 -29.777 1.00 61.30 ATOM 1238 HN LEU 79 10.272 -22.811 -28.815 1.00 37.13 ATOM 1239 CA LEU 79 8.957 -22.505 -30.449 1.00 63.41 ATOM 1240 HA LEU 79 9.063 -22.877 -31.459 1.00 64.21 ATOM 1241 CB LEU 79 7.918 -23.353 -29.713 1.00 4.13 ATOM 1242 HB1 LEU 79 6.998 -23.310 -30.284 1.00 37.13 ATOM 1243 HB2 LEU 79 7.732 -22.910 -28.745 1.00 20.31 ATOM 1244 CG LEU 79 8.275 -24.826 -29.511 1.00 72.23 ATOM 1245 HG LEU 79 9.119 -24.904 -28.847 1.00 65.11 ATOM 1246 CD1 LEU 79 7.112 -25.575 -28.879 1.00 71.22 ATOM 1247 HD11 LEU 79 6.250 -25.530 -29.531 1.00 61.03 ATOM 1248 HD12 LEU 79 6.865 -25.125 -27.927 1.00 12.03 ATOM 1249 HD13 LEU 79 7.388 -26.608 -28.721 1.00 15.22 ATOM 1250 CD2 LEU 79 8.667 -25.466 -30.835 1.00 40.22 ATOM 1251 HD21 LEU 79 8.998 -26.477 -30.659 1.00 74.14 ATOM 1252 HD22 LEU 79 9.460 -24.917 -31.296 1.00 12.22 ATOM 1253 HD23 LEU 79 7.814 -25.479 -31.498 1.00 3.52 ATOM 1254 C LEU 79 8.484 -21.058 -30.531 1.00 54.21 ATOM 1255 O LEU 79 7.954 -20.624 -31.555 1.00 4.24 ATOM 1256 N PHE 80 8.679 -20.314 -29.447 1.00 62.32 ATOM 1257 HN PHE 80 9.098 -20.706 -28.648 1.00 37.13 ATOM 1258 CA PHE 80 8.273 -18.915 -29.397 1.00 2.43 ATOM 1259 HA PHE 80 7.794 -18.642 -30.329 1.00 15.31 ATOM 1260 CB PHE 80 7.260 -18.696 -28.272 1.00 15.14 ATOM 1261 HB1 PHE 80 6.799 -17.727 -28.409 1.00 37.13 ATOM 1262 HB2 PHE 80 7.761 -18.705 -27.314 1.00 53.15 ATOM 1263 CG PHE 80 6.165 -19.725 -28.242 1.00 45.51 ATOM 1264 CD1 PHE 80 5.189 -19.745 -29.225 1.00 1.10 ATOM 1265 HD1 PHE 80 5.216 -19.013 -30.021 1.00 24.12 ATOM 1266 CD2 PHE 80 6.114 -20.671 -27.232 1.00 32.41 ATOM 1267 HD2 PHE 80 6.866 -20.666 -26.481 1.00 14.31 ATOM 1268 CE1 PHE 80 4.181 -20.690 -29.200 1.00 11.14 ATOM 1269 HE1 PHE 80 3.426 -20.695 -29.972 1.00 0.33 ATOM 1270 CE2 PHE 80 5.108 -21.619 -27.202 1.00 21.25 ATOM 1271 HE2 PHE 80 5.078 -22.348 -26.421 1.00 3.24 ATOM 1272 CZ PHE 80 4.141 -21.629 -28.187 1.00 40.04 ATOM 1273 HZ PHE 80 3.359 -22.365 -28.165 1.00 62.02 ATOM 1274 C PHE 80 9.481 -18.005 -29.192 1.00 62.01 ATOM 1275 O PHE 80 9.653 -17.386 -28.142 1.00 40.30 ATOM 1276 N PRO 81 10.339 -17.922 -30.220 1.00 25.25 ATOM 1277 CA PRO 81 11.547 -17.091 -30.178 1.00 35.44 ATOM 1278 HA PRO 81 12.153 -17.315 -29.312 1.00 52.11 ATOM 1279 CB PRO 81 12.299 -17.494 -31.449 1.00 34.15 ATOM 1280 HB1 PRO 81 13.005 -18.275 -31.215 1.00 37.13 ATOM 1281 HB2 PRO 81 12.827 -16.647 -31.870 1.00 63.55 ATOM 1282 CG PRO 81 11.241 -17.991 -32.373 1.00 23.00 ATOM 1283 HG1 PRO 81 11.661 -18.722 -33.048 1.00 37.13 ATOM 1284 HG2 PRO 81 10.818 -17.170 -32.930 1.00 35.02 ATOM 1285 CD PRO 81 10.197 -18.633 -31.501 1.00 44.24 ATOM 1286 HD1 PRO 81 10.424 -19.677 -31.388 1.00 37.13 ATOM 1287 HD2 PRO 81 9.215 -18.494 -31.927 1.00 31.32 ATOM 1288 C PRO 81 11.225 -15.601 -30.198 1.00 44.13 ATOM 1289 O PRO 81 11.817 -14.818 -29.455 1.00 21.45 ATOM 1290 N ASP 82 10.285 -15.215 -31.054 1.00 2.02 ATOM 1291 HN ASP 82 9.821 -15.872 -31.610 1.00 37.13 ATOM 1292 CA ASP 82 9.884 -13.818 -31.170 1.00 42.30 ATOM 1293 HA ASP 82 9.209 -13.748 -32.012 1.00 22.43 ATOM 1294 CB ASP 82 9.168 -13.363 -29.897 1.00 43.23 ATOM 1295 HB1 ASP 82 9.890 -13.044 -29.156 1.00 37.13 ATOM 1296 HB2 ASP 82 8.599 -14.191 -29.496 1.00 52.34 ATOM 1297 CG ASP 82 8.205 -12.220 -30.152 1.00 32.31 ATOM 1298 OD1 ASP 82 7.380 -11.929 -29.260 1.00 44.00 ATOM 1299 OD2 ASP 82 8.276 -11.617 -31.243 1.00 11.23 ATOM 1300 C ASP 82 11.093 -12.926 -31.435 1.00 1.30 ATOM 1301 O ASP 82 11.116 -11.759 -31.043 1.00 14.53 ATOM 1302 N THR 83 12.099 -13.483 -32.103 1.00 34.14 ATOM 1303 HN THR 83 12.025 -14.408 -32.429 1.00 37.13 ATOM 1304 CA THR 83 13.312 -12.740 -32.418 1.00 52.40 ATOM 1305 HA THR 83 13.054 -11.688 -32.481 1.00 42.24 ATOM 1306 CB THR 83 14.385 -12.927 -31.329 1.00 13.02 ATOM 1307 HB THR 83 15.373 -12.830 -31.761 1.00 74.54 ATOM 1308 OG1 THR 83 14.275 -14.234 -30.753 1.00 44.41 ATOM 1309 HG1 THR 83 14.699 -14.877 -31.327 1.00 4.32 ATOM 1310 CG2 THR 83 14.241 -11.874 -30.240 1.00 75.04 ATOM 1311 HG21 THR 83 15.003 -12.027 -29.491 1.00 41.41 ATOM 1312 HG22 THR 83 13.266 -11.957 -29.782 1.00 5.12 ATOM 1313 HG23 THR 83 14.354 -10.889 -30.670 1.00 12.15 ATOM 1314 C THR 83 13.887 -13.171 -33.762 1.00 24.31 ATOM 1315 O THR 83 13.598 -14.255 -34.269 1.00 55.14 ATOM 1316 N PRO 84 14.724 -12.306 -34.354 1.00 13.41 ATOM 1317 CA PRO 84 15.359 -12.577 -35.647 1.00 12.11 ATOM 1318 HA PRO 84 14.625 -12.832 -36.400 1.00 25.33 ATOM 1319 CB PRO 84 16.016 -11.242 -36.006 1.00 42.02 ATOM 1320 HB1 PRO 84 15.341 -10.667 -36.621 1.00 37.13 ATOM 1321 HB2 PRO 84 16.944 -11.400 -36.542 1.00 23.33 ATOM 1322 CG PRO 84 16.248 -10.569 -34.697 1.00 71.52 ATOM 1323 HG1 PRO 84 16.238 -9.497 -34.828 1.00 37.13 ATOM 1324 HG2 PRO 84 17.192 -10.889 -34.282 1.00 74.01 ATOM 1325 CD PRO 84 15.114 -10.996 -33.806 1.00 41.32 ATOM 1326 HD1 PRO 84 14.298 -10.291 -33.874 1.00 37.13 ATOM 1327 HD2 PRO 84 15.462 -11.069 -32.795 1.00 13.22 ATOM 1328 C PRO 84 16.408 -13.680 -35.558 1.00 34.24 ATOM 1329 O PRO 84 17.037 -13.870 -34.516 1.00 11.22 ATOM 1330 N LEU 85 16.592 -14.405 -36.655 1.00 74.33 ATOM 1331 HN LEU 85 16.053 -14.208 -37.459 1.00 37.13 ATOM 1332 CA LEU 85 17.566 -15.490 -36.701 1.00 74.42 ATOM 1333 HA LEU 85 18.526 -15.098 -36.393 1.00 30.14 ATOM 1334 CB LEU 85 17.157 -16.610 -35.742 1.00 53.13 ATOM 1335 HB1 LEU 85 17.500 -16.322 -34.757 1.00 37.13 ATOM 1336 HB2 LEU 85 17.663 -17.528 -36.010 1.00 72.53 ATOM 1337 CG LEU 85 15.658 -16.895 -35.644 1.00 14.15 ATOM 1338 HG LEU 85 15.138 -16.005 -35.331 1.00 60.21 ATOM 1339 CD1 LEU 85 15.102 -17.306 -36.998 1.00 61.21 ATOM 1340 HD11 LEU 85 15.112 -16.458 -37.663 1.00 63.12 ATOM 1341 HD12 LEU 85 14.081 -17.650 -36.886 1.00 41.32 ATOM 1342 HD13 LEU 85 15.702 -18.102 -37.419 1.00 65.41 ATOM 1343 CD2 LEU 85 15.387 -17.973 -34.604 1.00 61.13 ATOM 1344 HD21 LEU 85 15.763 -17.651 -33.642 1.00 54.22 ATOM 1345 HD22 LEU 85 15.880 -18.892 -34.892 1.00 21.11 ATOM 1346 HD23 LEU 85 14.322 -18.146 -34.529 1.00 71.21 ATOM 1347 C LEU 85 17.700 -16.042 -38.117 1.00 2.21 ATOM 1348 O LEU 85 17.027 -15.582 -39.039 1.00 62.51 ATOM 1349 N ALA 86 18.573 -17.031 -38.281 1.00 13.23 ATOM 1350 HN ALA 86 19.108 -17.349 -37.520 1.00 37.13 ATOM 1351 CA ALA 86 18.792 -17.648 -39.583 1.00 3.12 ATOM 1352 HA ALA 86 19.635 -18.319 -39.496 1.00 74.32 ATOM 1353 CB ALA 86 17.576 -18.466 -39.991 1.00 62.00 ATOM 1354 HB1 ALA 86 17.773 -18.968 -40.928 1.00 22.51 ATOM 1355 HB2 ALA 86 16.720 -17.816 -40.103 1.00 54.12 ATOM 1356 HB3 ALA 86 17.368 -19.202 -39.228 1.00 24.04 ATOM 1357 C ALA 86 19.105 -16.597 -40.643 1.00 23.14 ATOM 1358 O ALA 86 18.506 -16.588 -41.719 1.00 12.34 ATOM 1359 N LEU 87 20.047 -15.713 -40.332 1.00 53.31 ATOM 1360 HN LEU 87 20.510 -15.792 -39.465 1.00 37.13 ATOM 1361 CA LEU 87 20.439 -14.656 -41.258 1.00 62.11 ATOM 1362 HA LEU 87 19.550 -14.111 -41.548 1.00 41.13 ATOM 1363 CB LEU 87 21.412 -13.691 -40.579 1.00 24.02 ATOM 1364 HB1 LEU 87 21.587 -12.865 -41.257 1.00 37.13 ATOM 1365 HB2 LEU 87 22.352 -14.208 -40.422 1.00 33.11 ATOM 1366 CG LEU 87 20.962 -13.119 -39.234 1.00 72.22 ATOM 1367 HG LEU 87 20.917 -13.914 -38.506 1.00 3.34 ATOM 1368 CD1 LEU 87 21.959 -12.087 -38.732 1.00 24.01 ATOM 1369 HD11 LEU 87 22.023 -11.268 -39.435 1.00 14.25 ATOM 1370 HD12 LEU 87 22.933 -12.545 -38.627 1.00 33.54 ATOM 1371 HD13 LEU 87 21.638 -11.710 -37.770 1.00 72.14 ATOM 1372 CD2 LEU 87 19.573 -12.508 -39.353 1.00 3.00 ATOM 1373 HD21 LEU 87 19.574 -11.745 -40.119 1.00 43.21 ATOM 1374 HD22 LEU 87 19.290 -12.064 -38.408 1.00 11.53 ATOM 1375 HD23 LEU 87 18.856 -13.273 -39.608 1.00 72.14 ATOM 1376 C LEU 87 21.079 -15.242 -42.513 1.00 54.41 ATOM 1377 O LEU 87 21.040 -14.634 -43.583 1.00 52.20 ATOM 1378 N ASP 88 21.664 -16.426 -42.375 1.00 4.23 ATOM 1379 HN ASP 88 21.699 -16.866 -41.498 1.00 37.13 ATOM 1380 CA ASP 88 22.309 -17.096 -43.498 1.00 5.30 ATOM 1381 HA ASP 88 22.169 -16.494 -44.389 1.00 54.51 ATOM 1382 CB ASP 88 23.808 -17.250 -43.235 1.00 43.11 ATOM 1383 HB1 ASP 88 23.978 -18.049 -42.524 1.00 37.13 ATOM 1384 HB2 ASP 88 24.189 -16.327 -42.822 1.00 62.11 ATOM 1385 CG ASP 88 24.589 -17.554 -44.498 1.00 64.23 ATOM 1386 OD1 ASP 88 24.188 -17.067 -45.576 1.00 45.41 ATOM 1387 OD2 ASP 88 25.602 -18.279 -44.409 1.00 20.10 ATOM 1388 C ASP 88 21.681 -18.463 -43.749 1.00 21.01 ATOM 1389 O ASP 88 21.105 -19.068 -42.845 1.00 3.41 ATOM 1390 N ALA 89 21.795 -18.944 -44.983 1.00 3.44 ATOM 1391 HN ALA 89 22.271 -18.415 -45.667 1.00 37.13 ATOM 1392 CA ALA 89 21.239 -20.239 -45.352 1.00 65.42 ATOM 1393 HA ALA 89 20.287 -20.358 -44.844 1.00 62.54 ATOM 1394 CB ALA 89 20.964 -20.288 -46.848 1.00 35.34 ATOM 1395 HB1 ALA 89 21.892 -20.185 -47.393 1.00 21.35 ATOM 1396 HB2 ALA 89 20.301 -19.478 -47.116 1.00 15.31 ATOM 1397 HB3 ALA 89 20.499 -21.230 -47.102 1.00 35.24 ATOM 1398 C ALA 89 22.175 -21.374 -44.948 1.00 0.34 ATOM 1399 O ALA 89 23.326 -21.425 -45.380 1.00 33.45 ATOM 1400 N ASN 90 21.673 -22.280 -44.115 1.00 61.23 ATOM 1401 HN ASN 90 20.747 -22.181 -43.788 1.00 37.13 ATOM 1402 CA ASN 90 22.465 -23.413 -43.651 1.00 63.44 ATOM 1403 HA ASN 90 23.183 -23.663 -44.424 1.00 15.02 ATOM 1404 CB ASN 90 23.206 -23.051 -42.362 1.00 72.15 ATOM 1405 HB1 ASN 90 22.546 -23.160 -41.510 1.00 37.13 ATOM 1406 HB2 ASN 90 23.534 -22.022 -42.420 1.00 60.31 ATOM 1407 CG ASN 90 24.431 -23.916 -42.137 1.00 41.21 ATOM 1408 OD1 ASN 90 24.870 -24.636 -43.034 1.00 50.21 ATOM 1409 ND2 ASN 90 24.989 -23.848 -40.934 1.00 64.51 ATOM 1410 HD21 ASN 90 24.595 -23.254 -40.256 1.00 63.15 ATOM 1411 HD22 ASN 90 25.782 -24.399 -40.768 1.00 41.53 ATOM 1412 C ASN 90 21.582 -24.635 -43.417 1.00 70.24 ATOM 1413 O ASN 90 20.355 -24.543 -43.448 1.00 34.13 ATOM 1414 N LYS 91 22.215 -25.780 -43.183 1.00 52.22 ATOM 1415 HN LYS 91 23.191 -25.820 -43.213 1.00 37.13 ATOM 1416 HA LYS 91 22.207 -27.828 -42.923 1.00 41.33 ATOM 1417 CB LYS 91 20.759 -26.956 -41.598 1.00 4.23 ATOM 1418 HB1 LYS 91 19.945 -27.675 -41.591 1.00 37.13 ATOM 1419 HB2 LYS 91 20.339 -25.971 -41.465 1.00 11.03 ATOM 1420 CG LYS 91 21.655 -27.243 -40.405 1.00 63.13 ATOM 1421 HG1 LYS 91 21.203 -26.810 -39.524 1.00 37.13 ATOM 1422 HG2 LYS 91 22.624 -26.785 -40.569 1.00 50.15 ATOM 1423 CD LYS 91 21.825 -28.737 -40.182 1.00 41.44 ATOM 1424 HD1 LYS 91 21.913 -29.241 -41.137 1.00 37.13 ATOM 1425 HD2 LYS 91 20.961 -29.112 -39.656 1.00 73.45 ATOM 1426 CE LYS 91 23.068 -29.040 -39.360 1.00 10.43 ATOM 1427 HE1 LYS 91 22.991 -28.534 -38.407 1.00 37.13 ATOM 1428 HE2 LYS 91 23.936 -28.677 -39.891 1.00 62.25 ATOM 1429 NZ LYS 91 23.230 -30.500 -39.117 1.00 43.13 ATOM 1430 HZ1 LYS 91 24.088 -30.672 -38.554 1.00 62.34 ATOM 1431 HZ2 LYS 91 23.317 -31.010 -40.020 1.00 54.41 ATOM 1432 HZ3 LYS 91 22.409 -30.874 -38.597 1.00 54.44 ATOM 1433 CA LYS 91 21.488 -27.021 -42.942 1.00 4.23 ATOM 1434 C LYS 91 20.489 -27.293 -44.061 1.00 41.15 ATOM 1435 OT1 LYS 91 20.917 -27.870 -45.083 1.00 37.13 ATOM 1436 OT2 LYS 91 19.288 -26.943 -43.934 1.00 37.13 ATOM 1437 OH2 TIP3 1 -4.416 -35.400 -22.729 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 -4.465 -36.355 -22.766 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 -5.242 -35.132 -22.327 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -7.134 -31.532 -21.622 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -6.934 -31.108 -22.457 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 -6.478 -31.189 -21.015 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 -4.871 -38.359 -22.786 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 -5.723 -38.121 -23.153 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 -4.281 -38.376 -23.539 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -7.421 -33.520 -27.975 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 -7.577 -32.842 -28.632 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 -6.489 -33.448 -27.772 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -4.705 -32.870 -27.746 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -4.727 -32.685 -26.807 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -4.015 -32.301 -28.087 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -5.142 -33.303 -24.824 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -5.629 -34.038 -25.195 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -4.593 -33.696 -24.146 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -6.691 -37.513 -20.186 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -7.557 -37.618 -19.792 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -6.315 -36.754 -19.739 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -6.750 -35.540 -25.593 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -7.398 -35.215 -24.968 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -7.268 -35.980 -26.268 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 -8.116 -31.684 -25.879 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 -8.298 -30.768 -26.090 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 -7.940 -32.094 -26.726 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -6.769 -34.249 -22.016 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -7.551 -34.435 -22.536 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -6.841 -33.320 -21.799 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -5.333 -35.631 -18.851 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -5.260 -34.692 -18.681 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -4.428 -35.936 -18.908 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -4.643 -32.917 -18.280 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -3.900 -32.331 -18.420 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 -5.338 -32.349 -17.947 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -5.849 -40.125 -19.791 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -6.122 -40.550 -20.604 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -5.809 -39.194 -20.008 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -5.390 -39.256 -15.816 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -4.540 -38.835 -15.688 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 -5.385 -39.996 -15.208 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -4.728 -41.302 -17.601 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -5.249 -40.945 -18.320 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -4.761 -40.627 -16.923 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -11.219 -21.507 -31.986 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -11.130 -20.563 -32.118 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -11.858 -21.782 -32.644 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -12.286 -22.252 -28.567 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -12.324 -22.898 -27.862 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -12.609 -22.718 -29.338 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 -8.580 -19.313 -30.265 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -9.021 -20.033 -29.815 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 -8.593 -18.592 -29.635 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -10.756 -25.425 -27.833 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -10.613 -26.372 -27.813 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -10.862 -25.218 -28.762 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -9.879 -27.193 -32.160 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -9.233 -27.522 -31.535 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -9.369 -26.675 -32.783 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 -8.068 -17.473 -27.917 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 -9.010 -17.415 -27.756 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 -7.792 -16.567 -28.054 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 -7.768 -29.187 -26.500 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 -8.504 -28.576 -26.538 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 -7.084 -28.772 -27.026 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -6.971 -19.225 -24.306 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -6.831 -19.816 -25.045 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -6.803 -18.352 -24.662 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -9.092 -22.053 -33.582 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -9.824 -21.825 -33.009 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 -8.645 -22.767 -33.127 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -9.195 -23.879 -24.514 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -9.115 -23.116 -23.942 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 -9.796 -23.600 -25.205 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -7.264 -25.051 -22.249 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -7.671 -24.570 -22.969 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -7.223 -25.956 -22.556 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -9.507 -26.719 -24.028 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -10.021 -26.845 -23.231 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -9.662 -25.807 -24.273 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -11.872 -24.594 -33.432 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -12.281 -23.779 -33.724 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -11.152 -24.734 -34.047 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -10.868 -25.148 -30.618 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -11.063 -24.543 -31.333 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -10.686 -25.982 -31.053 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -11.604 -23.510 -25.947 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 -11.280 -24.141 -26.590 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -12.044 -24.045 -25.286 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 -10.421 -28.348 -27.899 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 -11.098 -28.217 -27.235 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 -10.907 -28.503 -28.709 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 -7.134 -12.676 -21.622 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 -6.934 -12.252 -22.457 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 -6.478 -12.333 -21.015 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -13.506 -24.795 -29.276 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -12.942 -25.342 -29.823 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -13.654 -25.317 -28.487 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -9.720 -25.513 -35.317 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -8.828 -25.650 -34.998 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -9.663 -24.722 -35.854 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -4.835 -25.303 -35.623 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -5.389 -25.699 -36.295 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -4.734 -24.393 -35.900 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -9.379 -21.709 -28.136 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -10.307 -21.941 -28.163 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -8.928 -22.486 -28.466 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -11.350 -19.470 -26.411 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -11.776 -19.697 -25.585 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -10.769 -20.208 -26.594 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -11.834 -27.944 -25.645 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -11.136 -27.870 -24.995 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -12.215 -28.808 -25.490 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 -11.050 -28.292 -34.548 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 -10.830 -27.820 -35.351 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -10.492 -27.897 -33.877 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 -9.410 -20.297 -23.977 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -8.665 -19.709 -24.097 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 -10.167 -19.715 -23.914 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 -8.955 -22.206 -22.078 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 -9.236 -21.497 -22.656 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 -8.012 -22.279 -22.229 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 -9.849 -28.710 -20.348 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 -9.946 -29.662 -20.354 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 -10.171 -28.441 -19.487 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 -5.142 -14.447 -24.824 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -5.629 -15.182 -25.195 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 -4.593 -14.840 -24.146 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 -6.691 -18.657 -20.186 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 -7.557 -18.762 -19.792 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 -6.315 -17.898 -19.739 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 -5.390 -20.400 -34.672 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 -4.540 -19.979 -34.544 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 -5.385 -21.140 -34.064 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 -4.996 -22.347 -32.848 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 -5.722 -22.826 -32.450 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 -4.415 -22.141 -32.116 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 -5.237 -19.562 -27.900 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 -4.403 -19.940 -28.181 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 -5.125 -18.619 -28.019 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 -6.750 -16.684 -25.593 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 -7.398 -16.359 -24.968 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 -7.268 -17.124 -26.268 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -4.728 -22.446 -36.457 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -5.249 -22.089 -37.176 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -4.761 -21.771 -35.779 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -6.353 -21.856 -22.646 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -5.770 -22.590 -22.455 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -5.789 -21.084 -22.600 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -4.856 -23.953 -21.962 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -5.719 -24.332 -22.127 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -4.252 -24.692 -22.036 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -7.499 -26.243 -33.823 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -7.219 -27.150 -33.698 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -6.740 -25.809 -34.212 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 -4.575 -30.945 -20.257 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 -4.225 -31.599 -20.863 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 -4.428 -30.108 -20.697 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 -6.885 -28.980 -33.774 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 -6.703 -29.429 -32.949 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 -7.485 -29.565 -34.238 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 -6.054 -30.746 -24.089 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 -6.867 -30.421 -24.477 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 -5.821 -31.506 -24.622 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -12.624 -29.297 -29.766 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -13.299 -29.926 -29.511 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -12.060 -29.781 -30.369 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 -7.482 -31.190 -29.654 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 -6.878 -30.642 -30.155 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 -8.351 -30.870 -29.894 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -5.755 -30.051 -31.320 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -5.143 -30.565 -31.847 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -5.372 -29.173 -31.297 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 -10.161 -30.706 -30.482 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 -10.085 -30.611 -31.431 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 -10.437 -31.614 -30.353 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 -6.769 -15.393 -22.016 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 -7.551 -15.579 -22.536 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 -6.841 -14.464 -21.799 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 -18.994 -18.187 -9.583 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -19.364 -18.989 -9.952 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -18.053 -18.356 -9.536 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -5.234 -28.218 -8.444 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -5.185 -27.608 -7.708 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -4.808 -27.757 -9.167 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 -10.756 -25.425 -8.977 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 -10.613 -26.372 -8.957 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 -10.862 -25.218 -9.906 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -9.879 -27.193 -13.304 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 -9.233 -27.522 -12.679 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -9.369 -26.675 -13.927 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 -15.825 -23.377 -11.727 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 -15.209 -23.903 -11.218 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 -16.411 -24.017 -12.131 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -4.842 -26.740 -6.208 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -5.531 -26.082 -6.303 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -4.827 -26.937 -5.271 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -16.222 -20.730 -7.343 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -16.962 -20.132 -7.240 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -15.508 -20.176 -7.659 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -17.814 -18.766 -6.556 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -17.820 -17.887 -6.934 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -18.668 -18.849 -6.131 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -12.498 -22.263 -15.678 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -13.210 -21.728 -16.029 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -11.807 -22.207 -16.338 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -9.092 -22.053 -14.726 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -9.824 -21.825 -14.153 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -8.645 -22.767 -14.271 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -9.195 -23.879 -5.658 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -9.115 -23.116 -5.086 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -9.796 -23.600 -6.349 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -17.447 -21.423 -12.843 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -17.777 -21.793 -13.662 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -16.859 -22.093 -12.497 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -16.080 -17.995 -10.162 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -16.175 -18.573 -10.919 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -15.351 -18.366 -9.666 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -17.080 -22.654 -9.210 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -16.515 -22.533 -9.973 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -16.761 -22.017 -8.571 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -16.200 -18.255 -4.493 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -16.512 -17.473 -4.037 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -16.850 -18.408 -5.179 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -10.221 -22.891 -17.041 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -9.642 -22.741 -16.294 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -9.807 -22.420 -17.764 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -13.437 -16.970 -4.997 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -13.350 -16.144 -4.522 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -14.301 -17.300 -4.748 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -13.023 -13.198 -15.191 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -13.098 -13.319 -16.137 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -12.990 -12.248 -15.072 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -9.921 -14.044 -18.188 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -9.546 -14.788 -18.659 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -9.917 -14.314 -17.270 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -10.252 -14.118 -15.439 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -11.187 -14.018 -15.260 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -9.972 -14.827 -14.861 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -7.264 -25.051 -3.393 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -7.671 -24.570 -4.113 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -7.223 -25.956 -3.700 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -9.507 -26.719 -5.172 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -10.021 -26.845 -4.375 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -9.662 -25.807 -5.417 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -8.744 -21.858 -19.411 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -8.702 -22.081 -20.341 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -7.895 -21.460 -19.221 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -17.405 -25.231 -8.305 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 -18.047 -25.272 -7.596 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -17.368 -24.305 -8.543 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -17.408 -25.010 -13.393 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -18.301 -25.351 -13.452 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -16.957 -25.387 -14.149 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -11.872 -24.594 -14.576 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -12.281 -23.779 -14.868 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -11.152 -24.734 -15.191 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -12.770 -24.419 -3.088 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -13.333 -25.123 -2.768 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -11.944 -24.539 -2.621 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -10.868 -25.148 -11.762 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -11.063 -24.543 -12.477 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -10.686 -25.982 -12.197 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -10.421 -28.348 -9.043 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -11.098 -28.217 -8.379 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -10.907 -28.503 -9.853 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -7.134 -12.676 -2.766 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -6.934 -12.252 -3.601 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -6.478 -12.333 -2.159 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -13.506 -24.795 -10.420 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -12.942 -25.342 -10.967 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -13.654 -25.317 -9.631 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -14.880 -26.407 -8.006 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -15.715 -25.953 -7.896 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -14.356 -26.131 -7.254 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -14.336 -20.194 -16.321 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -15.080 -20.701 -16.644 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -14.470 -20.145 -15.375 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -7.186 -21.061 -7.535 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -6.544 -20.604 -8.078 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -8.016 -20.948 -7.997 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -12.816 -20.010 -5.084 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -13.162 -20.391 -4.278 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -13.016 -19.076 -5.013 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -19.211 -20.899 -10.552 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -18.466 -20.901 -11.153 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -19.133 -21.723 -10.070 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -12.210 -18.735 -17.296 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -12.505 -17.909 -16.914 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -12.913 -19.355 -17.100 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -15.186 -22.921 -3.024 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -15.482 -23.087 -3.919 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -14.255 -23.141 -3.034 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -10.566 -17.548 -5.134 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -11.467 -17.365 -5.402 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -10.532 -17.289 -4.213 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -4.835 -25.303 -16.767 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -5.389 -25.699 -17.439 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -4.734 -24.393 -17.044 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -6.539 -16.517 -16.302 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -6.912 -17.343 -15.992 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -6.262 -16.700 -17.199 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -16.836 -17.381 -13.147 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -16.309 -16.608 -13.348 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -17.716 -17.156 -13.449 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -15.409 -19.718 -13.571 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -15.650 -18.793 -13.529 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -16.149 -20.177 -13.175 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -14.894 -15.569 -7.256 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -14.531 -14.714 -7.489 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -14.362 -15.861 -6.515 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -16.725 -14.696 -14.026 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -17.675 -14.591 -13.974 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -16.374 -13.876 -13.681 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -9.147 -18.541 -18.481 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -8.794 -18.921 -17.677 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -10.096 -18.634 -18.395 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -8.691 -14.918 -5.086 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -9.293 -15.473 -5.581 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -8.410 -14.251 -5.712 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -4.643 -14.061 -18.280 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -3.900 -13.475 -18.420 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -5.338 -13.493 -17.947 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -8.281 -19.868 -16.255 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -8.558 -20.596 -15.699 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -7.354 -19.749 -16.049 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -11.834 -27.944 -6.789 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -11.136 -27.870 -6.139 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -12.215 -28.808 -6.634 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -13.381 -16.161 -16.829 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -14.198 -15.664 -16.776 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -12.852 -15.686 -17.469 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -13.850 -26.564 -14.857 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -13.038 -26.060 -14.811 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -14.095 -26.709 -13.943 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -13.314 -25.578 -5.672 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -13.195 -25.004 -4.915 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -12.659 -26.266 -5.557 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -7.110 -27.671 -4.837 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -8.026 -27.408 -4.925 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -6.774 -27.674 -5.734 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -8.508 -23.920 -10.741 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -9.305 -24.335 -11.070 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -8.063 -24.611 -10.250 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -10.533 -16.694 -2.542 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -10.884 -17.550 -2.299 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -9.807 -16.551 -1.935 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -8.414 -15.749 -19.662 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -8.131 -16.543 -19.209 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -7.674 -15.516 -20.223 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -15.145 -20.213 -2.504 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -15.473 -19.942 -3.362 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -14.993 -21.154 -2.592 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -9.410 -20.297 -5.121 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -8.665 -19.709 -5.241 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -10.167 -19.715 -5.058 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 -17.021 -23.974 -5.143 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 -17.639 -23.299 -4.862 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 -16.677 -23.653 -5.976 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -12.001 -21.503 -1.865 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -11.048 -21.419 -1.893 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -12.161 -22.214 -1.246 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -5.849 -21.269 -19.791 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -6.122 -21.694 -20.604 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -5.809 -20.338 -20.008 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -14.687 -22.810 -6.328 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -13.936 -22.966 -6.901 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -15.026 -21.958 -6.604 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -8.955 -22.206 -3.222 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -9.236 -21.497 -3.800 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -8.012 -22.279 -3.373 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -6.691 -18.657 -1.330 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -7.557 -18.762 -0.936 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -6.315 -17.898 -0.883 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -5.390 -20.400 -15.816 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -4.540 -19.979 -15.688 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -5.385 -21.140 -15.208 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -4.996 -22.347 -13.992 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -5.722 -22.826 -13.594 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -4.415 -22.141 -13.260 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -4.728 -22.446 -17.601 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -5.249 -22.089 -18.320 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -4.761 -21.771 -16.923 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -6.379 -25.206 -19.050 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -6.282 -24.539 -19.730 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -6.519 -26.022 -19.532 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -7.209 -23.826 -13.429 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -7.359 -24.771 -13.449 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -7.563 -23.545 -12.585 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -6.353 -21.856 -3.790 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -5.770 -22.590 -3.599 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -5.789 -21.084 -3.744 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -4.856 -23.953 -3.106 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -5.719 -24.332 -3.271 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -4.252 -24.692 -3.180 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -7.131 -27.798 -19.933 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -6.521 -28.170 -19.296 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -7.968 -28.220 -19.737 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -6.887 -25.662 -9.531 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -5.954 -25.450 -9.565 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -7.122 -25.560 -8.608 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -6.858 -24.925 -6.755 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -7.701 -24.657 -6.389 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -6.415 -24.103 -6.966 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -5.055 -28.836 -3.052 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -5.972 -28.565 -3.088 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -4.932 -29.371 -3.836 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -5.019 -28.913 -18.390 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -4.606 -29.634 -18.866 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -4.337 -28.243 -18.332 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -17.628 -16.020 -6.516 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -18.053 -15.211 -6.799 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -16.723 -15.935 -6.818 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -13.317 -14.621 -3.557 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -13.132 -14.955 -2.679 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -12.470 -14.312 -3.879 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -10.972 -13.336 -4.313 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 -10.295 -13.968 -4.553 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 -10.650 -12.934 -3.505 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -13.048 -13.276 -8.263 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -13.505 -12.747 -8.917 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -12.885 -12.673 -7.538 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -18.670 -15.431 -10.903 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -18.889 -16.347 -10.734 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -17.846 -15.291 -10.437 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -16.133 -14.961 -10.055 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -15.920 -15.849 -10.342 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -16.068 -14.995 -9.100 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -5.987 -14.144 -15.310 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -6.181 -14.892 -15.875 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -6.026 -13.386 -15.894 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -9.921 -14.044 0.668 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -9.546 -14.788 0.197 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 -9.917 -14.314 1.586 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -8.744 -21.858 -0.555 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -8.702 -22.081 -1.485 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -7.895 -21.460 -0.365 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -6.539 -16.517 2.554 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -6.912 -17.343 2.864 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -6.262 -16.700 1.657 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -9.147 -18.541 0.375 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -8.794 -18.921 1.179 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -10.096 -18.634 0.461 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -4.643 -14.061 0.576 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -3.900 -13.475 0.436 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -5.338 -13.493 0.909 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -8.414 -15.749 -0.806 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -8.131 -16.543 -0.353 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -7.674 -15.516 -1.367 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -5.849 -21.269 -0.935 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -6.122 -21.694 -1.748 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -5.809 -20.338 -1.152 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -5.390 -20.400 3.040 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 -4.540 -19.979 3.168 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -5.385 -21.140 3.648 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -4.728 -22.446 1.255 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -5.249 -22.089 0.536 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -4.761 -21.771 1.933 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 -6.379 -25.206 -0.194 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 -6.282 -24.539 -0.874 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 -6.519 -26.022 -0.676 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 -5.987 -14.144 3.546 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -6.181 -14.892 2.981 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 -6.026 -13.386 2.962 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -4.575 -12.089 -20.257 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -4.225 -12.743 -20.863 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -4.428 -11.252 -20.697 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -5.234 -9.362 -8.444 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 -5.185 -8.752 -7.708 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -4.808 -8.901 -9.167 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -9.879 -8.337 -13.304 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -9.233 -8.666 -12.679 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -9.369 -7.819 -13.927 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -4.842 -7.884 -6.208 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -5.531 -7.226 -6.303 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -4.827 -8.081 -5.271 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 -8.115 -9.046 -11.323 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 -8.330 -9.812 -10.791 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 -7.459 -8.574 -10.810 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -7.768 -10.331 -7.644 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -8.504 -9.720 -7.682 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -7.084 -9.916 -8.170 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -14.765 -12.244 -10.178 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -14.882 -13.193 -10.232 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -15.620 -11.912 -9.905 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -6.523 -12.285 -17.228 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -7.422 -12.146 -16.933 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -6.271 -11.454 -17.630 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -12.833 -11.619 -6.026 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -12.413 -12.034 -5.273 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -13.766 -11.797 -5.909 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -10.421 -9.492 -9.043 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -11.098 -9.361 -8.379 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -10.907 -9.647 -9.853 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -11.834 -9.088 -6.789 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -11.136 -9.014 -6.139 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -12.215 -9.952 -6.634 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 -12.966 -10.627 -13.919 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -13.313 -10.009 -13.274 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -12.308 -10.126 -14.400 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -7.110 -8.815 -4.837 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -8.026 -8.552 -4.925 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -6.774 -8.818 -5.734 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -15.463 -11.937 -6.136 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -15.561 -10.990 -6.242 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -16.206 -12.309 -6.612 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 -6.885 -10.124 -14.918 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 -6.703 -10.573 -14.093 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 -7.485 -10.709 -15.382 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -5.055 -9.980 -3.052 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -5.972 -9.709 -3.088 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -4.932 -10.515 -3.836 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 -5.019 -10.057 -18.390 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 -4.606 -10.778 -18.866 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 -4.337 -9.387 -18.332 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 -6.054 -11.890 -5.233 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 -6.867 -11.565 -5.621 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 -5.821 -12.650 -5.766 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -12.624 -10.441 -10.910 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -13.299 -11.070 -10.655 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 -12.060 -10.925 -11.513 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -5.755 -11.195 -12.464 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -5.143 -11.709 -12.991 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 -5.372 -10.317 -12.441 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -15.718 -11.880 -13.275 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -14.844 -11.492 -13.305 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -15.854 -12.095 -12.352 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -10.161 -11.850 -11.626 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -10.085 -11.755 -12.575 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -10.437 -12.758 -11.497 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -8.808 -11.824 -15.933 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -9.511 -11.210 -16.143 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 -9.253 -12.662 -15.802 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 -9.945 -12.610 -1.853 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -9.869 -13.036 -0.999 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 -9.052 -12.596 -2.195 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -6.523 -12.285 1.628 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -7.422 -12.146 1.923 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -6.271 -11.454 1.226 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -7.131 -8.942 -1.077 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -6.521 -9.314 -0.440 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -7.968 -9.364 -0.881 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -5.019 -10.057 0.466 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -4.606 -10.778 -0.010 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -4.337 -9.387 0.524 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 1.746 -33.930 -38.983 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 2.514 -34.389 -38.642 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 1.725 -34.156 -39.913 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 7.637 -40.363 -31.986 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 7.726 -39.419 -32.118 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 6.998 -40.638 -32.644 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -1.062 -41.493 -26.974 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -1.020 -42.119 -26.250 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -0.359 -40.870 -26.792 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -0.138 -37.043 -28.439 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -0.508 -37.845 -28.808 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 0.803 -37.212 -28.392 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 8.100 -44.281 -27.833 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 8.243 -45.228 -27.813 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 7.994 -44.074 -28.762 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 3.031 -42.233 -30.583 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 3.647 -42.759 -30.074 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 2.445 -42.873 -30.987 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 7.434 -37.762 -32.943 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 7.138 -38.084 -33.794 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 7.110 -36.862 -32.901 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 2.634 -39.586 -26.199 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 1.894 -38.988 -26.096 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 3.348 -39.032 -26.515 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 10.199 -36.647 -32.783 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 9.942 -37.337 -33.395 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 10.270 -37.090 -31.938 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 6.358 -41.119 -34.534 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 5.646 -40.584 -34.885 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 7.049 -41.063 -35.194 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 13.727 -41.741 -26.240 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 13.075 -41.046 -26.151 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 14.192 -41.531 -27.050 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 9.764 -40.909 -33.582 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 9.032 -40.681 -33.009 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 10.211 -41.623 -33.127 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 9.661 -42.735 -24.514 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 9.741 -41.972 -23.942 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 9.060 -42.456 -25.205 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 1.409 -40.279 -31.699 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 1.079 -40.649 -32.518 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 1.997 -40.949 -31.353 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 1.776 -41.510 -28.066 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 2.341 -41.389 -28.829 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 2.095 -40.873 -27.427 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -0.424 -40.913 -24.120 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -0.354 -40.262 -23.422 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -1.315 -40.810 -24.455 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -3.508 -38.846 -25.295 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -4.009 -38.874 -26.110 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -3.502 -39.752 -24.985 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -3.757 -36.066 -28.411 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -2.811 -36.210 -28.430 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -3.870 -35.282 -27.874 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -0.513 -33.265 -32.266 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -0.361 -33.613 -31.387 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -1.364 -33.621 -32.521 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 8.935 -32.900 -37.044 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 9.310 -33.644 -37.515 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 8.939 -33.170 -36.126 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 11.592 -43.907 -22.249 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 11.185 -43.426 -22.969 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 11.633 -44.812 -22.556 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 -1.259 -37.523 -24.252 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 -1.042 -37.884 -23.392 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 -2.114 -37.897 -24.462 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 6.984 -43.450 -33.432 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 6.575 -42.635 -33.724 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 7.704 -43.590 -34.047 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 6.086 -43.275 -21.944 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 5.523 -43.979 -21.624 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 6.912 -43.395 -21.477 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 7.988 -44.004 -30.618 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 7.793 -43.399 -31.333 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 8.170 -44.838 -31.053 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 7.252 -42.366 -25.947 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 7.576 -42.997 -26.590 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 6.812 -42.901 -25.286 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 5.350 -43.651 -29.276 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 5.914 -44.198 -29.823 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 5.202 -44.173 -28.487 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 4.520 -39.050 -35.177 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 3.776 -39.557 -35.500 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 4.386 -39.001 -34.231 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 11.670 -39.917 -26.391 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 12.312 -39.460 -26.934 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 10.840 -39.804 -26.853 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 -0.355 -39.755 -29.408 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 0.390 -39.757 -30.009 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 -0.277 -40.579 -28.926 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 6.646 -37.591 -36.152 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 6.351 -36.765 -35.770 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 5.943 -38.211 -35.956 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 -3.347 -41.294 -24.093 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 -3.124 -41.712 -23.261 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 -3.949 -41.907 -24.515 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 3.670 -41.777 -21.880 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 3.374 -41.943 -22.775 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 4.601 -41.997 -21.890 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 12.317 -35.373 -35.158 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 11.944 -36.199 -34.848 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 12.594 -35.556 -36.055 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 2.020 -36.237 -32.003 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 2.547 -35.464 -32.204 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 1.140 -36.012 -32.305 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 3.447 -38.574 -32.427 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 3.206 -37.649 -32.385 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 2.707 -39.033 -32.031 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 14.213 -32.917 -37.136 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 14.956 -32.331 -37.276 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 13.518 -32.349 -36.803 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 10.575 -38.724 -35.111 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 10.298 -39.452 -34.555 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 11.502 -38.605 -34.905 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 -2.062 -34.736 -26.100 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 -1.845 -35.668 -26.131 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 -1.815 -34.462 -25.216 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 2.737 -36.715 -36.434 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 2.884 -37.235 -35.644 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 2.734 -35.808 -36.128 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 5.475 -35.017 -35.685 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 4.658 -34.520 -35.632 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 6.004 -34.542 -36.325 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 5.542 -44.434 -24.528 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 5.661 -43.860 -23.771 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 6.197 -45.122 -24.413 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 2.813 -33.974 -35.703 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 2.974 -33.174 -36.204 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 2.616 -33.667 -34.818 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 10.348 -42.776 -29.597 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 9.551 -43.191 -29.926 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 10.793 -43.467 -29.106 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -2.140 -35.462 -33.077 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -2.972 -34.989 -33.050 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -1.594 -34.952 -33.676 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 5.838 -34.422 -38.752 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 5.194 -35.053 -38.430 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 6.600 -34.953 -38.984 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 -2.944 -39.039 -20.793 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 -2.800 -39.941 -21.079 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 -3.717 -38.753 -21.281 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 -2.112 -41.839 -21.373 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 -1.704 -42.696 -21.494 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 -2.372 -41.824 -20.452 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 1.835 -42.830 -23.999 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 1.217 -42.155 -23.718 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 2.179 -42.509 -24.832 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 4.169 -41.666 -25.184 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 4.920 -41.822 -25.757 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 3.830 -40.814 -25.460 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 8.585 -43.851 -20.156 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 8.777 -44.782 -20.267 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 9.442 -43.426 -20.166 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 9.901 -41.062 -22.078 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 9.620 -40.353 -22.656 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 10.844 -41.135 -22.229 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 0.653 -44.277 -21.005 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 -0.114 -44.809 -21.215 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 1.332 -44.587 -21.604 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 4.657 -45.327 -21.429 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 4.421 -45.547 -20.527 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 3.874 -45.534 -21.938 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 3.515 -31.789 -37.091 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 4.448 -31.631 -36.947 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 3.251 -31.114 -37.716 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 -4.268 -31.760 -32.531 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 -4.915 -32.222 -33.064 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 -3.913 -32.432 -31.948 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 -3.398 -33.679 -30.726 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 -3.732 -34.560 -30.554 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 -3.176 -33.334 -29.862 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 13.619 -38.418 -27.900 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 14.453 -38.796 -28.181 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 13.731 -37.475 -28.019 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 11.647 -42.682 -32.285 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 11.497 -43.627 -32.305 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 11.293 -42.401 -31.441 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 12.503 -40.712 -22.646 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 13.086 -41.446 -22.455 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 13.067 -39.940 -22.600 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 14.000 -42.809 -21.962 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 13.137 -43.188 -22.127 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 14.604 -43.548 -22.036 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 11.969 -44.518 -28.387 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 12.902 -44.306 -28.421 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 11.734 -44.416 -27.464 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 11.998 -43.781 -25.611 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 11.155 -43.513 -25.245 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 12.441 -42.959 -25.822 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 -1.726 -35.851 -21.631 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 -2.547 -35.676 -22.091 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 -1.978 -35.924 -20.710 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 -1.955 -32.997 -28.414 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 -1.974 -33.422 -27.557 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 -1.150 -33.315 -28.823 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 0.186 -34.287 -29.759 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 -0.033 -35.203 -29.590 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 1.010 -34.147 -29.293 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 -2.704 -33.773 -35.243 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 -3.389 -33.811 -35.911 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 -2.701 -32.860 -34.955 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 6.160 -32.563 -36.846 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 7.026 -32.197 -37.024 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 5.913 -33.003 -37.659 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 12.869 -33.000 -34.166 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 12.675 -33.748 -34.731 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 12.830 -32.242 -34.750 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 -0.886 -32.853 -38.218 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 -1.154 -32.566 -37.345 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 -0.115 -33.399 -38.066 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 7.637 -40.363 -13.130 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 7.726 -39.419 -13.262 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 6.998 -40.638 -13.788 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 6.570 -41.108 -9.711 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 6.532 -41.754 -9.006 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 6.247 -41.574 -10.482 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 4.959 -38.675 -9.305 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 5.263 -39.361 -9.899 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 5.681 -38.557 -8.687 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 13.622 -47.074 -8.444 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 13.671 -46.464 -7.708 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 14.048 -46.613 -9.167 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 8.100 -44.281 -8.977 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 8.243 -45.228 -8.957 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 7.994 -44.074 -9.906 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 14.014 -45.596 -6.208 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 13.325 -44.938 -6.303 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 14.029 -45.793 -5.271 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 -2.837 -37.951 -15.774 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 -3.109 -37.722 -16.663 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 -2.792 -37.113 -15.314 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 6.412 -42.661 -18.639 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 7.113 -42.639 -17.988 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 6.714 -43.289 -19.295 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 9.661 -42.735 -5.658 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 9.741 -41.972 -5.086 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 9.060 -42.456 -6.349 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 1.409 -40.279 -12.843 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 1.079 -40.649 -13.662 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 1.997 -40.949 -12.497 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 2.776 -36.851 -10.162 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 2.681 -37.429 -10.919 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 3.505 -37.222 -9.666 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 2.656 -37.111 -4.493 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 2.344 -36.329 -4.037 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 2.006 -37.264 -5.179 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 0.399 -41.209 -15.254 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 0.107 -40.441 -15.745 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 -0.275 -41.869 -15.417 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 5.419 -35.826 -4.997 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 5.506 -35.000 -4.522 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 4.555 -36.156 -4.748 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 -0.513 -33.265 -13.410 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 -0.361 -33.613 -12.531 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 -1.364 -33.621 -13.665 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 11.592 -43.907 -3.393 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 11.185 -43.426 -4.113 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 11.633 -44.812 -3.700 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 6.984 -43.450 -14.576 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 6.575 -42.635 -14.868 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 7.704 -43.590 -15.191 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 7.988 -44.004 -11.762 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 7.793 -43.399 -12.477 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 8.170 -44.838 -12.197 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 7.252 -42.366 -7.091 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 7.576 -42.997 -7.734 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 6.812 -42.901 -6.430 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 1.185 -43.615 -18.257 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 0.643 -43.995 -18.948 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 2.019 -43.421 -18.686 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 11.722 -31.532 -2.766 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 11.922 -31.108 -3.601 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 12.378 -31.189 -2.159 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 8.418 -46.236 -18.122 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 7.480 -46.124 -18.273 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 8.715 -45.379 -17.816 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 6.040 -38.866 -5.084 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 5.694 -39.247 -4.278 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 5.840 -37.932 -5.013 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 9.136 -44.369 -16.461 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 10.028 -44.506 -16.142 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 9.193 -43.578 -16.998 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 14.021 -44.159 -16.767 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 13.467 -44.555 -17.439 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 14.122 -43.249 -17.044 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 9.477 -40.565 -9.280 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 8.549 -40.797 -9.307 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 9.928 -41.342 -9.610 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 2.020 -36.237 -13.147 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 2.547 -35.464 -13.348 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 1.140 -36.012 -13.449 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 -2.225 -41.375 -18.560 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 -1.609 -40.748 -18.181 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 -3.087 -41.059 -18.289 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 3.447 -38.574 -13.571 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 3.206 -37.649 -13.529 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 2.707 -39.033 -13.175 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 3.962 -34.425 -7.256 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 4.325 -33.570 -7.489 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 4.494 -34.717 -6.515 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 7.506 -38.326 -7.555 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 7.080 -38.553 -6.729 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 8.087 -39.064 -7.738 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 5.006 -45.420 -14.857 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 5.818 -44.916 -14.811 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 4.761 -45.565 -13.943 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 11.746 -46.527 -4.837 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 10.830 -46.264 -4.925 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 12.082 -46.530 -5.734 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 10.348 -42.776 -10.741 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 9.551 -43.191 -11.070 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 10.793 -43.467 -10.250 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 -1.878 -44.184 -19.055 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 -1.923 -43.245 -18.876 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 -2.766 -44.420 -19.325 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 -2.140 -35.462 -14.221 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 -2.972 -34.989 -14.194 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 -1.594 -34.952 -14.820 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 8.323 -35.550 -2.542 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 7.972 -36.406 -2.299 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 9.049 -35.407 -1.935 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 9.446 -39.153 -5.121 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 10.191 -38.565 -5.241 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 8.689 -38.571 -5.058 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 3.617 -42.480 -19.236 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 3.437 -42.634 -20.164 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 4.568 -42.372 -19.192 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 9.901 -41.062 -3.222 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 9.620 -40.353 -3.800 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 10.844 -41.135 -3.373 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 12.165 -37.513 -1.330 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 11.299 -37.618 -0.936 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 12.541 -36.754 -0.883 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 12.477 -44.062 -19.050 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 12.574 -43.395 -19.730 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 12.337 -44.878 -19.532 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 11.647 -42.682 -13.429 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 11.497 -43.627 -13.449 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 11.293 -42.401 -12.585 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 12.503 -40.712 -3.790 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 13.086 -41.446 -3.599 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 13.067 -39.940 -3.744 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 14.000 -42.809 -3.106 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 13.137 -43.188 -3.271 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 14.604 -43.548 -3.180 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 11.357 -45.099 -14.967 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 11.637 -46.006 -14.842 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 12.116 -44.665 -15.356 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 11.969 -44.518 -9.531 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 12.902 -44.306 -9.565 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 11.734 -44.416 -8.608 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 11.998 -43.781 -6.755 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 11.155 -43.513 -6.389 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 12.441 -42.959 -6.966 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 5.539 -33.477 -3.557 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 5.724 -33.811 -2.679 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 6.386 -33.168 -3.879 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 5.808 -32.132 -8.263 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 5.351 -31.603 -8.917 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 5.971 -31.529 -7.538 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 0.186 -34.287 -10.903 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 -0.033 -35.203 -10.734 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 1.010 -34.147 -10.437 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 2.723 -33.817 -10.055 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 2.936 -34.705 -10.342 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 2.788 -33.851 -9.100 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 -2.704 -33.773 -16.387 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 -3.389 -33.811 -17.055 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 -2.701 -32.860 -16.099 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 12.087 -34.249 -3.160 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 11.305 -34.435 -3.680 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 12.015 -33.320 -2.943 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 13.523 -35.631 0.005 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 13.596 -34.692 0.175 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 14.428 -35.936 -0.052 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 8.935 -32.900 0.668 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 9.310 -33.644 0.197 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 8.939 -33.170 1.586 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 14.213 -32.917 0.576 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 14.956 -32.331 0.436 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 13.518 -32.349 0.909 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 5.838 -34.422 -1.040 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 5.194 -35.053 -0.718 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 6.600 -34.953 -1.272 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 10.442 -34.605 -0.806 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 10.725 -35.399 -0.353 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 11.182 -34.372 -1.367 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 6.749 -37.648 -1.213 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 6.481 -37.468 -0.312 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 6.543 -38.574 -1.344 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 13.007 -40.125 -0.935 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 12.734 -40.550 -1.748 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 13.047 -39.194 -1.152 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 13.622 -28.218 -46.156 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 13.671 -27.608 -45.420 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 14.048 -27.757 -46.879 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 14.014 -26.740 -43.920 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 13.325 -26.082 -44.015 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 14.029 -26.937 -42.983 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 11.885 -19.225 -43.162 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 12.025 -19.816 -43.901 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 12.053 -18.352 -43.518 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 13.727 -22.885 -45.096 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 13.075 -22.190 -45.007 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 14.192 -22.675 -45.906 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 11.722 -12.676 -40.478 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 11.922 -12.252 -41.313 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 12.378 -12.333 -39.871 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 13.985 -19.503 -41.642 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 13.133 -19.265 -42.009 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 14.575 -19.520 -42.395 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 10.165 -14.918 -42.798 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 9.563 -15.473 -43.293 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 10.446 -14.251 -43.424 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 11.746 -27.671 -42.549 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 10.830 -27.408 -42.637 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 12.082 -27.674 -43.446 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 8.323 -16.694 -40.254 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 7.972 -17.550 -40.011 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 9.049 -16.551 -39.647 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 8.585 -24.995 -39.012 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 8.777 -25.926 -39.123 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 9.442 -24.570 -39.022 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 4.657 -26.471 -40.285 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 4.421 -26.691 -39.383 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 3.874 -26.678 -40.794 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 9.007 -28.710 -39.204 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 8.910 -29.662 -39.210 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 8.685 -28.441 -38.343 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 3.968 -29.816 -39.123 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 3.837 -30.292 -39.944 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 3.369 -29.072 -39.179 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 14.151 -14.014 -46.602 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 14.129 -13.829 -45.663 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 14.841 -13.445 -46.943 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 13.714 -14.447 -43.680 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 13.227 -15.182 -44.051 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 14.263 -14.840 -43.002 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 13.619 -19.562 -46.756 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 14.453 -19.940 -47.037 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 13.731 -18.619 -46.875 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 12.106 -16.684 -44.449 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 11.458 -16.359 -43.824 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 11.588 -17.124 -45.124 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 12.503 -21.856 -41.502 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 13.086 -22.590 -41.311 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 13.067 -21.084 -41.456 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 14.000 -23.953 -40.818 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 13.137 -24.332 -40.983 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 14.604 -24.692 -40.892 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 11.998 -24.925 -44.467 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 11.155 -24.657 -44.101 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 12.441 -24.103 -44.678 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 14.281 -30.945 -39.113 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 14.631 -31.599 -39.719 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 14.428 -30.108 -39.553 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 13.801 -28.836 -40.764 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 12.884 -28.565 -40.800 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 13.924 -29.371 -41.548 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 12.802 -30.746 -42.945 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 11.989 -30.421 -43.333 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 13.035 -31.506 -43.478 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 0.489 -30.798 -39.747 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 1.388 -31.072 -39.932 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 0.103 -31.541 -39.283 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 8.911 -31.466 -39.565 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 8.987 -31.892 -38.711 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 9.804 -31.452 -39.907 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 12.087 -15.393 -40.872 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 11.305 -15.579 -41.392 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 12.015 -14.464 -40.655 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 -0.138 -18.187 -28.439 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 -0.508 -18.989 -28.808 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 0.803 -18.356 -28.392 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 -3.528 -24.527 -33.046 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 -3.976 -23.681 -33.064 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 -4.089 -25.107 -33.561 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 6.412 -23.805 -37.495 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 7.113 -23.783 -36.844 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 6.714 -24.433 -38.151 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 8.635 -22.891 -35.897 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 9.214 -22.741 -35.150 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 9.049 -22.420 -36.620 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 6.361 -16.154 -32.462 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 6.835 -15.859 -31.684 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 5.798 -15.416 -32.695 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 12.333 -31.141 -36.084 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 11.434 -31.002 -35.789 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 12.585 -30.310 -36.486 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 0.399 -22.353 -34.110 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 0.107 -21.585 -34.601 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 -0.275 -23.013 -34.273 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 -3.757 -17.210 -28.411 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 -2.811 -17.354 -28.430 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 -3.870 -16.426 -27.874 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 5.833 -13.198 -34.047 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 5.758 -13.319 -34.993 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 5.866 -12.248 -33.928 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 8.935 -14.044 -37.044 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 9.310 -14.788 -37.515 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 8.939 -14.314 -36.126 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 10.112 -21.858 -38.267 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 10.154 -22.081 -39.197 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 10.961 -21.460 -38.077 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 5.685 -27.982 -37.597 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 5.431 -27.963 -36.674 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 5.428 -28.854 -37.898 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 2.567 -27.537 -38.496 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 2.136 -27.982 -37.766 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 1.849 -27.165 -39.008 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 -2.916 -27.049 -36.020 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 -2.442 -26.458 -36.605 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 -3.634 -26.518 -35.673 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 1.185 -24.759 -37.113 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 0.643 -25.139 -37.804 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 2.019 -24.565 -37.542 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 4.520 -20.194 -35.177 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 3.776 -20.701 -35.500 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 4.386 -20.145 -34.231 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 8.418 -27.380 -36.978 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 7.480 -27.268 -37.129 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 8.715 -26.523 -36.672 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 9.136 -25.513 -35.317 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 10.028 -25.650 -34.998 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 9.193 -24.722 -35.854 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 6.646 -18.735 -36.152 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 6.351 -17.909 -35.770 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 5.943 -19.355 -35.956 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 2.020 -17.381 -32.003 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 2.547 -16.608 -32.204 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 1.140 -17.156 -32.305 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 2.131 -14.696 -32.882 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 1.181 -14.591 -32.830 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 2.482 -13.876 -32.537 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 9.709 -18.541 -37.337 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 10.062 -18.921 -36.533 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 8.760 -18.634 -37.251 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 -2.062 -15.880 -26.100 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 -1.845 -16.812 -26.131 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 -1.815 -15.606 -25.216 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 2.737 -17.859 -36.434 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 2.884 -18.379 -35.644 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 2.734 -16.952 -36.128 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 5.475 -16.161 -35.685 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 4.658 -15.664 -35.632 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 6.004 -15.686 -36.325 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 2.813 -15.118 -35.703 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 2.974 -14.318 -36.204 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 2.616 -14.811 -34.818 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 -1.878 -25.328 -37.911 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 -1.923 -24.389 -37.732 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 -2.766 -25.564 -38.181 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 -2.851 -13.993 -21.747 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 -2.311 -14.210 -20.988 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 -3.332 -14.799 -21.937 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 1.746 -15.074 -20.127 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 2.514 -15.533 -19.786 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 1.725 -15.300 -21.057 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 10.442 -15.749 -38.518 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 10.725 -16.543 -38.065 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 11.182 -15.516 -39.079 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 6.749 -18.792 -38.925 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 6.481 -18.612 -38.024 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 6.543 -19.718 -39.056 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 2.546 -21.867 -36.355 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 2.087 -22.351 -35.669 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 2.801 -22.535 -36.991 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 3.617 -23.624 -38.092 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 3.437 -23.778 -39.020 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 4.568 -23.516 -38.048 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 13.007 -21.269 -38.647 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 12.734 -21.694 -39.460 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 13.047 -20.338 -38.864 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 3.515 -12.933 -37.091 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 4.448 -12.775 -36.947 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 3.251 -12.258 -37.716 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 14.128 -22.446 -36.457 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 13.607 -22.089 -37.176 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 14.095 -21.771 -35.779 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 12.477 -25.206 -37.906 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 12.574 -24.539 -38.586 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 12.337 -26.022 -38.388 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 11.725 -27.798 -38.789 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 12.335 -28.170 -38.152 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 10.888 -28.220 -38.593 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 13.837 -28.913 -37.246 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 14.250 -29.634 -37.722 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 14.519 -28.243 -37.188 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 -3.882 -28.908 -34.119 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 -4.807 -28.699 -34.249 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 -3.428 -28.424 -34.809 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 -1.370 -12.764 -25.325 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 -2.090 -12.324 -25.776 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 -1.736 -13.015 -24.476 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 1.097 -13.164 -26.295 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 0.232 -13.092 -25.891 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 1.042 -12.617 -27.079 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 -1.955 -14.141 -28.414 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 -1.974 -14.566 -27.557 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 -1.150 -14.459 -28.823 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 0.186 -15.431 -29.759 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 -0.033 -16.347 -29.590 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 1.010 -15.291 -29.293 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 -2.605 -30.865 -36.141 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 -2.166 -30.254 -36.732 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 -3.239 -30.327 -35.667 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 -0.744 -28.949 -37.698 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 -0.253 -29.579 -38.226 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 -0.121 -28.653 -37.035 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 6.160 -13.707 -36.846 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 7.026 -13.341 -37.024 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 5.913 -14.147 -37.659 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 6.570 -22.252 -9.711 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 6.532 -22.898 -9.006 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 6.247 -22.718 -10.482 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 -3.528 -24.527 -14.190 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 -3.976 -23.681 -14.208 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 -4.089 -25.107 -14.705 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 -2.818 -22.365 -12.064 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 -2.604 -23.135 -11.537 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 -2.080 -22.276 -12.667 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 1.255 -27.324 -11.705 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 1.298 -26.464 -12.123 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 0.797 -27.876 -12.338 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 -2.125 -24.927 -10.943 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 -1.471 -25.477 -10.511 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 -2.101 -25.201 -11.859 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 0.065 -28.406 -7.631 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 -0.154 -27.876 -8.397 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 -0.603 -28.179 -6.983 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 -0.341 -26.514 -9.678 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 0.272 -25.881 -9.305 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 0.171 -26.986 -10.335 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 4.091 -31.100 -10.178 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 3.974 -32.049 -10.232 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 3.236 -30.768 -9.905 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 1.776 -22.654 -9.210 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 2.341 -22.533 -9.973 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 2.095 -22.017 -8.571 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 1.360 -30.197 -9.400 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 0.499 -30.284 -9.808 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 1.338 -29.341 -8.973 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 6.023 -30.475 -6.026 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 6.443 -30.890 -5.273 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 5.090 -30.653 -5.909 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 6.086 -24.419 -3.088 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 5.523 -25.123 -2.768 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 6.912 -24.539 -2.621 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 -4.191 -27.795 -12.588 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 -3.560 -27.824 -11.868 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 -3.741 -28.220 -13.318 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 -1.142 -25.954 -13.480 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 -2.031 -25.854 -13.820 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 -0.846 -26.796 -13.826 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 5.350 -24.795 -10.420 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 5.914 -25.342 -10.967 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 5.202 -25.317 -9.631 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 0.352 -28.659 -14.002 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 0.035 -29.561 -14.037 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 1.133 -28.657 -14.554 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 3.976 -26.407 -8.006 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 3.141 -25.953 -7.896 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 4.500 -26.131 -7.254 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 13.985 -19.503 -3.930 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 13.133 -19.265 -4.297 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 14.575 -19.520 -4.683 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 -1.713 -27.685 -5.679 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 -2.606 -27.346 -5.746 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 -1.812 -28.540 -5.261 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 7.022 -27.944 -6.789 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 7.720 -27.870 -6.139 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 6.641 -28.808 -6.634 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 5.542 -25.578 -5.672 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 5.661 -25.004 -4.915 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 6.197 -26.266 -5.557 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 -1.070 -30.546 -10.382 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 -1.299 -30.487 -11.309 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 -1.513 -31.338 -10.075 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 -2.140 -16.606 -14.221 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 -2.972 -16.133 -14.194 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 -1.594 -16.096 -14.820 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 2.175 -26.619 -4.060 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 2.325 -27.348 -4.663 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 2.177 -25.842 -4.619 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 2.587 -28.249 -6.568 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 3.123 -27.798 -7.220 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 1.735 -28.357 -6.990 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 8.585 -24.995 -1.300 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 8.777 -25.926 -1.411 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 9.442 -24.570 -1.310 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 0.653 -25.421 -2.149 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 -0.114 -25.953 -2.359 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 1.332 -25.731 -2.748 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 3.393 -30.793 -6.136 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 3.295 -29.846 -6.242 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 2.650 -31.165 -6.612 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 4.657 -26.471 -2.573 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 4.421 -26.691 -1.671 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 3.874 -26.678 -3.082 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 7.373 -27.344 -3.497 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 6.425 -27.312 -3.365 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 7.685 -27.969 -2.843 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 9.007 -28.710 -1.492 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 8.910 -29.662 -1.498 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 8.685 -28.441 -0.631 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 -1.166 -27.500 -2.444 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 -0.955 -28.207 -3.055 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 -1.278 -27.938 -1.600 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 3.615 -31.499 -3.465 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 4.327 -32.139 -3.479 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 3.514 -31.232 -4.379 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 -4.268 -12.904 -13.675 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 -4.915 -13.366 -14.208 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 -3.913 -13.576 -13.092 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 12.165 -18.657 -1.330 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 11.299 -18.762 -0.936 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 12.541 -17.898 -0.883 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 -3.720 -26.477 -3.278 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 -2.801 -26.599 -3.042 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 -4.170 -27.227 -2.889 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 14.281 -30.945 -1.401 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 14.631 -31.599 -2.007 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 14.428 -30.108 -1.841 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 -2.499 -28.165 -10.387 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 -2.054 -28.957 -10.085 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 -2.033 -27.449 -9.956 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 -4.195 -25.166 -9.318 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 -3.703 -25.387 -10.108 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 -3.833 -24.325 -9.037 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 13.801 -28.836 -3.052 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 12.884 -28.565 -3.088 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 13.924 -29.371 -3.836 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 -3.882 -28.908 -15.263 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 -4.807 -28.699 -15.393 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 -3.428 -28.424 -15.953 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 -3.918 -30.170 -6.919 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 -4.583 -30.416 -6.276 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 -4.361 -29.548 -7.496 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 -1.442 -30.663 -13.088 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 -2.219 -30.897 -13.596 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 -0.911 -31.460 -13.080 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 -2.605 -30.865 -17.285 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 -2.166 -30.254 -17.876 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 -3.239 -30.327 -16.811 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 -1.484 -30.149 -3.571 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 -1.850 -30.914 -3.128 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 -0.571 -30.120 -3.284 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 8.911 -31.466 -1.853 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 8.987 -31.892 -0.999 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 9.804 -31.452 -2.195 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 -2.837 -19.095 3.082 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 -3.109 -18.866 2.193 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 -2.792 -18.257 3.542 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 6.358 -22.263 3.178 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 5.646 -21.728 2.827 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 7.049 -22.207 2.518 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 6.412 -23.805 0.217 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 7.113 -23.783 0.868 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 6.714 -24.433 -0.439 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 8.635 -22.891 1.815 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 9.214 -22.741 2.562 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 9.049 -22.420 1.092 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 12.333 -31.141 1.628 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 11.434 -31.002 1.923 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 12.585 -30.310 1.226 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 0.399 -22.353 3.602 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 0.107 -21.585 3.111 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 -0.275 -23.013 3.439 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 13.523 -16.775 0.005 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 13.596 -15.836 0.175 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 14.428 -17.080 -0.052 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 5.833 -13.198 3.665 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 5.758 -13.319 2.719 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 5.866 -12.248 3.784 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 8.604 -14.118 3.417 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 7.669 -14.018 3.596 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 8.884 -14.827 3.995 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 2.567 -27.537 -0.784 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 2.136 -27.982 -0.054 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 1.849 -27.165 -1.296 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 1.185 -24.759 0.599 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 0.643 -25.139 -0.092 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 2.019 -24.565 0.170 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 4.520 -20.194 2.535 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 3.776 -20.701 2.212 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 4.386 -20.145 3.481 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 8.418 -27.380 0.734 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 7.480 -27.268 0.583 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 8.715 -26.523 1.040 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 9.136 -25.513 2.395 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 10.028 -25.650 2.714 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 9.193 -24.722 1.858 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 6.646 -18.735 1.560 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 6.351 -17.909 1.942 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 5.943 -19.355 1.756 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 14.021 -25.303 2.089 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 13.467 -25.699 1.417 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 14.122 -24.393 1.812 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 12.317 -16.517 2.554 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 11.944 -17.343 2.864 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 12.594 -16.700 1.657 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 -2.225 -22.519 0.296 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 -1.609 -21.892 0.675 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 -3.087 -22.203 0.567 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 9.709 -18.541 0.375 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 10.062 -18.921 1.179 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 8.760 -18.634 0.461 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 10.575 -19.868 2.601 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 10.298 -20.596 3.157 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 11.502 -19.749 2.807 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 2.737 -17.859 1.278 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 2.884 -18.379 2.068 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 2.734 -16.952 1.584 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 -0.810 -20.606 1.788 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 -1.496 -20.254 2.355 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 -0.287 -19.843 1.542 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 5.475 -16.161 2.027 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 4.658 -15.664 2.080 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 6.004 -15.686 1.387 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 2.813 -15.118 2.009 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 2.974 -14.318 1.508 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 2.616 -14.811 2.894 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 -0.194 -17.992 0.685 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 0.398 -17.293 0.961 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 0.265 -18.425 -0.034 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 -1.878 -25.328 -0.199 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 -1.923 -24.389 -0.020 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 -2.766 -25.564 -0.469 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 -2.140 -16.606 4.635 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 -2.972 -16.133 4.662 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 -1.594 -16.096 4.036 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 2.546 -21.867 1.357 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 2.087 -22.351 2.043 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 2.801 -22.535 0.721 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 3.617 -23.624 -0.380 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 3.437 -23.778 -1.308 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 4.568 -23.516 -0.336 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 13.007 -21.269 -0.935 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 12.734 -21.694 -1.748 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 13.047 -20.338 -1.152 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 3.515 -12.933 0.621 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 4.448 -12.775 0.765 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 3.251 -12.258 -0.004 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 14.128 -22.446 1.255 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 13.607 -22.089 0.536 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 14.095 -21.771 1.933 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 12.477 -25.206 -0.194 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 12.574 -24.539 -0.874 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 12.337 -26.022 -0.676 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 11.725 -27.798 -1.077 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 12.335 -28.170 -0.440 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 10.888 -28.220 -0.881 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 13.837 -28.913 0.466 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 14.250 -29.634 -0.010 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 14.519 -28.243 0.524 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 10.889 -13.924 5.538 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 11.542 -14.271 4.930 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 11.400 -13.435 6.184 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 -2.704 -14.917 2.469 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 -3.389 -14.955 1.801 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 -2.701 -14.004 2.757 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 12.869 -14.144 3.546 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 12.675 -14.892 2.981 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 12.830 -13.386 2.962 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 9.007 -9.854 -39.204 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 8.910 -10.806 -39.210 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 8.685 -9.585 -38.343 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 13.801 -9.980 -40.764 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 12.884 -9.709 -40.800 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 13.924 -10.515 -41.548 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 12.802 -11.890 -42.945 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 11.989 -11.565 -43.333 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 13.035 -12.650 -43.478 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 8.911 -12.610 -39.565 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 8.987 -13.036 -38.711 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 9.804 -12.596 -39.907 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 8.100 -6.569 -27.833 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 8.243 -7.516 -27.813 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 7.994 -6.362 -28.762 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 1.255 -8.468 -30.561 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 1.298 -7.608 -30.979 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 0.797 -9.020 -31.194 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 0.065 -9.550 -26.487 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 -0.154 -9.020 -27.253 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 -0.603 -9.323 -25.839 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 13.727 -4.029 -26.240 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 13.075 -3.334 -26.151 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 14.192 -3.819 -27.050 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 9.661 -5.023 -24.514 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 9.741 -4.260 -23.942 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 9.060 -4.744 -25.205 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 1.360 -11.341 -28.256 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 0.499 -11.428 -28.664 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 1.338 -10.485 -27.829 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 5.685 -9.126 -37.597 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 5.431 -9.107 -36.674 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 5.428 -9.998 -37.898 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 1.451 -6.375 -27.161 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 0.809 -6.416 -26.452 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 1.488 -5.449 -27.399 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 6.984 -5.738 -33.432 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 6.575 -4.923 -33.724 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 7.704 -5.878 -34.047 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 6.086 -5.563 -21.944 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 5.523 -6.267 -21.624 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 6.912 -5.683 -21.477 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 7.988 -6.292 -30.618 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 7.793 -5.687 -31.333 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 8.170 -7.126 -31.053 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 -0.799 -6.055 -25.294 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 -0.837 -5.655 -24.426 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 -1.290 -6.872 -25.204 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 7.252 -4.654 -25.947 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 7.576 -5.285 -26.590 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 6.812 -5.189 -25.286 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 4.030 -8.727 -31.163 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 3.119 -8.670 -30.874 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 4.535 -8.787 -30.352 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 5.350 -5.939 -29.276 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 5.914 -6.486 -29.823 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 5.202 -6.461 -28.487 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 3.976 -7.551 -26.862 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 3.141 -7.097 -26.752 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 4.500 -7.275 -26.110 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 11.670 -2.205 -26.391 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 12.312 -1.748 -26.934 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 10.840 -2.092 -26.853 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 8.418 -8.524 -36.978 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 7.480 -8.412 -37.129 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 8.715 -7.667 -36.672 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 9.136 -6.657 -35.317 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 10.028 -6.794 -34.998 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 9.193 -5.866 -35.854 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 3.670 -4.065 -21.880 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 3.374 -4.231 -22.775 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 4.601 -4.285 -21.890 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 14.021 -6.447 -35.623 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 13.467 -6.843 -36.295 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 14.122 -5.537 -35.900 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 -1.713 -8.829 -24.535 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 -2.606 -8.490 -24.602 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 -1.812 -9.684 -24.117 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 5.006 -7.708 -33.713 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 5.818 -7.204 -33.667 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 4.761 -7.853 -32.799 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 10.348 -5.064 -29.597 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 9.551 -5.479 -29.926 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 10.793 -5.755 -29.106 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 1.835 -5.118 -23.999 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 1.217 -4.443 -23.718 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 2.179 -4.797 -24.832 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 6.855 -2.647 -20.721 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 7.808 -2.563 -20.749 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 6.695 -3.358 -20.102 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 2.175 -7.763 -22.916 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 2.325 -8.492 -23.519 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 2.177 -6.986 -23.475 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 4.169 -3.954 -25.184 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 4.920 -4.110 -25.757 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 3.830 -3.102 -25.460 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 8.585 -6.139 -20.156 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 8.777 -7.070 -20.267 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 9.442 -5.714 -20.166 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 9.901 -3.350 -22.078 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 9.620 -2.641 -22.656 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 10.844 -3.423 -22.229 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 0.653 -6.565 -21.005 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 -0.114 -7.097 -21.215 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 1.332 -6.875 -21.604 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 -1.166 -8.644 -21.300 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 -0.955 -9.351 -21.911 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 -1.278 -9.082 -20.456 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 13.860 -3.491 -32.848 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 13.134 -3.970 -32.450 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 14.441 -3.285 -32.116 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 14.128 -3.590 -36.457 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 13.607 -3.233 -37.176 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 14.095 -2.915 -35.779 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 12.477 -6.350 -37.906 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 12.574 -5.683 -38.586 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 12.337 -7.166 -38.388 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 11.647 -4.970 -32.285 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 11.497 -5.915 -32.305 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 11.293 -4.689 -31.441 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 12.503 -3.000 -22.646 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 13.086 -3.734 -22.455 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 13.067 -2.228 -22.600 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 14.000 -5.097 -21.962 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 13.137 -5.476 -22.127 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 14.604 -5.836 -22.036 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 11.725 -8.942 -38.789 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 12.335 -9.314 -38.152 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 10.888 -9.364 -38.593 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 11.357 -7.387 -33.823 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 11.637 -8.294 -33.698 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 12.116 -6.953 -34.212 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 11.969 -6.806 -28.387 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 12.902 -6.594 -28.421 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 11.734 -6.704 -27.464 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 3.138 -11.880 -32.131 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 4.012 -11.492 -32.161 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 3.002 -12.095 -31.208 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 4.282 -9.800 -35.241 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 4.460 -10.446 -34.558 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 4.228 -8.966 -34.774 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 -1.484 -11.293 -22.427 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 -1.850 -12.058 -21.984 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 -0.571 -11.264 -22.140 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 0.489 -11.942 -20.891 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 1.388 -12.216 -21.076 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 0.103 -12.685 -20.427 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 -3.528 -5.671 -14.190 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 -3.976 -4.825 -14.208 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 -4.089 -6.251 -14.705 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 13.622 -9.362 -8.444 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 13.671 -8.752 -7.708 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 14.048 -8.901 -9.167 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 8.100 -6.569 -8.977 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 8.243 -7.516 -8.957 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 7.994 -6.362 -9.906 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 1.255 -8.468 -11.705 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 1.298 -7.608 -12.123 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 0.797 -9.020 -12.338 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 8.977 -8.337 -13.304 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 9.623 -8.666 -12.679 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 9.487 -7.819 -13.927 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 -2.125 -6.071 -10.943 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 -1.471 -6.621 -10.511 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 -2.101 -6.345 -11.859 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 3.031 -4.521 -11.727 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 3.647 -5.047 -11.218 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 2.445 -5.161 -12.131 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 14.014 -7.884 -6.208 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 13.325 -7.226 -6.303 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 14.029 -8.081 -5.271 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 10.741 -9.046 -11.323 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 10.526 -9.812 -10.791 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 11.397 -8.574 -10.810 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 -0.341 -7.658 -9.678 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 0.272 -7.025 -9.305 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 0.171 -8.130 -10.335 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 11.088 -10.331 -7.644 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 10.352 -9.720 -7.682 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 11.772 -9.916 -8.170 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 6.358 -3.407 -15.678 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 5.646 -2.872 -16.029 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 7.049 -3.351 -16.338 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 6.412 -4.949 -18.639 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 7.113 -4.927 -17.988 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 6.714 -5.577 -19.295 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 9.764 -3.197 -14.726 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 9.032 -2.969 -14.153 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 10.211 -3.911 -14.271 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 9.661 -5.023 -5.658 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 9.741 -4.260 -5.086 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 9.060 -4.744 -6.349 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 8.635 -4.035 -17.041 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 9.214 -3.885 -16.294 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 9.049 -3.564 -17.764 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 0.399 -3.497 -15.254 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 0.107 -2.729 -15.745 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 -0.275 -4.157 -15.417 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 11.592 -6.195 -3.393 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 11.185 -5.714 -4.113 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 11.633 -7.100 -3.700 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 9.349 -7.863 -5.172 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 8.835 -7.989 -4.375 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 9.194 -6.951 -5.417 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 10.112 -3.002 -19.411 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 10.154 -3.225 -20.341 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 10.961 -2.604 -19.221 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 1.451 -6.375 -8.305 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 0.809 -6.416 -7.596 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 1.488 -5.449 -8.543 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 1.448 -6.154 -13.393 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 0.555 -6.495 -13.452 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 1.899 -6.531 -14.149 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 6.984 -5.738 -14.576 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 6.575 -4.923 -14.868 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 7.704 -5.878 -15.191 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 6.086 -5.563 -3.088 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 5.523 -6.267 -2.768 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 6.912 -5.683 -2.621 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 7.988 -6.292 -11.762 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 7.793 -5.687 -12.477 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 8.170 -7.126 -12.197 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 -0.799 -6.055 -6.438 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 -0.837 -5.655 -5.570 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 -1.290 -6.872 -6.348 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 -4.191 -8.939 -12.588 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 -3.560 -8.968 -11.868 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 -3.741 -9.364 -13.318 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 -2.916 -8.193 -17.164 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 -2.442 -7.602 -17.749 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 -3.634 -7.662 -16.817 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 7.252 -4.654 -7.091 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 7.576 -5.285 -7.734 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 6.812 -5.189 -6.430 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 4.030 -8.727 -12.307 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 3.119 -8.670 -12.018 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 4.535 -8.787 -11.496 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 -1.142 -7.098 -13.480 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 -2.031 -6.998 -13.820 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 -0.846 -7.940 -13.826 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 8.435 -9.492 -9.043 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 7.758 -9.361 -8.379 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 7.949 -9.647 -9.853 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 1.185 -5.903 -18.257 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 0.643 -6.283 -18.948 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 2.019 -5.709 -18.686 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 5.350 -5.939 -10.420 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 5.914 -6.486 -10.967 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 5.202 -6.461 -9.631 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 3.976 -7.551 -8.006 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 3.141 -7.097 -7.896 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 4.500 -7.275 -7.254 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 3.670 -4.065 -3.024 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 3.374 -4.231 -3.919 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 4.601 -4.285 -3.034 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 14.021 -6.447 -16.767 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 13.467 -6.843 -17.439 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 14.122 -5.537 -17.044 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 -1.713 -8.829 -5.679 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 -2.606 -8.490 -5.746 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 -1.812 -9.684 -5.261 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 7.022 -9.088 -6.789 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 7.720 -9.014 -6.139 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 6.641 -9.952 -6.634 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 5.006 -7.708 -14.857 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 5.818 -7.204 -14.811 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 4.761 -7.853 -13.943 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 5.542 -6.722 -5.672 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 5.661 -6.148 -4.915 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 6.197 -7.410 -5.557 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 11.746 -8.815 -4.837 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 10.830 -8.552 -4.925 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 12.082 -8.818 -5.734 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 -1.878 -6.472 -19.055 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 -1.923 -5.533 -18.876 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 -2.766 -6.708 -19.325 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 1.835 -5.118 -5.143 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 1.217 -4.443 -4.862 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 2.179 -4.797 -5.976 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 3.617 -4.768 -19.236 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 3.437 -4.922 -20.164 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 4.568 -4.660 -19.192 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 13.007 -2.413 -19.791 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 12.734 -2.838 -20.604 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 13.047 -1.482 -20.008 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 2.175 -7.763 -4.060 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 2.325 -8.492 -4.663 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 2.177 -6.986 -4.619 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 2.587 -9.393 -6.568 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 3.123 -8.942 -7.220 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 1.735 -9.501 -6.990 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 8.585 -6.139 -1.300 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 8.777 -7.070 -1.411 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 9.442 -5.714 -1.310 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 9.901 -3.350 -3.222 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 9.620 -2.641 -3.800 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 10.844 -3.423 -3.373 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 0.653 -6.565 -2.149 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 -0.114 -7.097 -2.359 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 1.332 -6.875 -2.748 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 -1.166 -8.644 -2.444 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 -0.955 -9.351 -3.055 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 -1.278 -9.082 -1.600 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 14.128 -3.590 -17.601 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 13.607 -3.233 -18.320 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 14.095 -2.915 -16.923 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 12.477 -6.350 -19.050 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 12.574 -5.683 -19.730 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 12.337 -7.166 -19.532 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 11.647 -4.970 -13.429 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 11.497 -5.915 -13.449 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 11.293 -4.689 -12.585 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 14.000 -5.097 -3.106 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 13.137 -5.476 -3.271 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 14.604 -5.836 -3.180 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 11.357 -7.387 -14.967 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 11.637 -8.294 -14.842 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 12.116 -6.953 -15.356 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 11.969 -6.806 -9.531 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 12.902 -6.594 -9.565 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 11.734 -6.704 -8.608 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 11.998 -6.069 -6.755 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 11.155 -5.801 -6.389 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 12.441 -5.247 -6.966 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 -3.720 -7.621 -3.278 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 -2.801 -7.743 -3.042 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 -4.170 -8.371 -2.889 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 11.971 -10.124 -14.918 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 12.153 -10.573 -14.093 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 11.371 -10.709 -15.382 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 -2.499 -9.309 -10.387 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 -2.054 -10.101 -10.085 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 -2.033 -8.593 -9.956 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 -3.882 -10.052 -15.263 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 -4.807 -9.843 -15.393 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 -3.428 -9.568 -15.953 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 -3.918 -11.314 -6.919 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 -4.583 -11.560 -6.276 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 -4.361 -10.692 -7.496 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 -2.605 -12.009 -17.285 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 -2.166 -11.398 -17.876 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 -3.239 -11.471 -16.811 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 -0.744 -10.093 -18.842 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 -0.253 -10.723 -19.370 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 -0.121 -9.797 -18.179 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 0.489 -11.942 -2.035 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 1.388 -12.216 -2.220 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 0.103 -12.685 -1.571 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 8.977 -8.337 5.552 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 9.623 -8.666 6.177 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 9.487 -7.819 4.929 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 6.412 -4.949 0.217 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 7.113 -4.927 0.868 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 6.714 -5.577 -0.439 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 2.567 -8.681 -0.784 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 2.136 -9.126 -0.054 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 1.849 -8.309 -1.296 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 2.511 -7.098 3.032 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 3.443 -6.969 3.210 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 2.296 -6.428 2.383 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 1.185 -5.903 0.599 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 0.643 -6.283 -0.092 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 2.019 -5.709 0.170 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 9.136 -6.657 2.395 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 10.028 -6.794 2.714 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 9.193 -5.866 1.858 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 14.021 -6.447 2.089 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 13.467 -6.843 1.417 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 14.122 -5.537 1.812 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 7.806 -9.436 3.164 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 8.026 -8.964 2.361 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 8.364 -9.041 3.835 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 5.006 -7.708 3.999 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 5.818 -7.204 4.045 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 4.761 -7.853 4.913 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 5.890 -10.627 4.937 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 5.543 -10.009 5.582 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 6.548 -10.126 4.456 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 1.547 -9.564 1.625 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 1.464 -8.675 1.971 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 2.437 -9.829 1.856 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 3.617 -4.768 -0.380 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 3.437 -4.922 -1.308 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 4.568 -4.660 -0.336 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 12.477 -6.350 -0.194 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 12.574 -5.683 -0.874 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 12.337 -7.166 -0.676 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 11.357 -7.387 3.889 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 11.637 -8.294 4.014 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 12.116 -6.953 3.500 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 11.971 -10.124 3.938 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 12.153 -10.573 4.763 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 11.371 -10.709 3.474 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 13.101 -11.195 6.392 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 13.713 -11.709 5.865 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 13.484 -10.317 6.415 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 -2.605 -12.009 1.571 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 -2.166 -11.398 0.980 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 -3.239 -11.471 2.045 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 10.048 -11.824 2.923 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 9.345 -11.210 2.713 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 9.603 -12.662 3.054 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 -0.744 -10.093 0.014 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 -0.253 -10.723 -0.514 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 -0.121 -9.797 0.677 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 4.282 -9.800 2.471 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 4.460 -10.446 3.154 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 4.228 -8.966 2.938 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 21.512 -37.111 -42.205 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 21.200 -36.329 -41.749 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 20.862 -37.264 -42.891 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 19.751 -35.039 -41.441 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 19.759 -35.175 -42.389 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 18.835 -35.157 -41.189 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 24.275 -35.826 -42.709 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 24.362 -35.000 -42.234 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 23.411 -36.156 -42.460 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 30.578 -31.532 -40.478 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 30.778 -31.108 -41.313 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 31.234 -31.189 -39.871 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 22.818 -34.425 -44.968 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 23.181 -33.570 -45.201 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 23.350 -34.717 -44.227 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 29.021 -33.774 -42.798 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 28.419 -34.329 -43.293 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 29.302 -33.107 -43.424 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 16.005 -32.849 -40.603 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 16.545 -33.066 -39.844 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 15.524 -33.655 -40.793 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 20.602 -33.930 -38.983 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 21.370 -34.389 -38.642 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 20.581 -34.156 -39.913 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 27.179 -35.550 -40.254 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 26.828 -36.406 -40.011 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 27.905 -35.407 -39.647 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 20.084 -34.876 -44.228 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 19.659 -34.067 -44.511 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 20.989 -34.791 -44.530 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 26.740 -32.192 -42.025 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 27.417 -32.824 -42.265 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 27.062 -31.790 -41.217 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 17.486 -31.620 -44.181 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 16.766 -31.180 -44.632 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 17.120 -31.871 -43.332 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 19.953 -32.020 -45.151 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 19.088 -31.948 -44.747 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 19.898 -31.473 -45.935 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 24.664 -32.132 -45.975 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 24.207 -31.603 -46.629 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 24.827 -31.529 -45.250 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 26.991 -33.254 -45.030 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 26.087 -33.089 -45.296 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 27.420 -32.401 -45.096 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 16.901 -32.997 -47.270 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 16.882 -33.422 -46.413 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 17.706 -33.315 -47.679 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 19.042 -34.287 -48.615 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 18.823 -35.203 -48.446 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 19.866 -34.147 -48.149 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 21.579 -33.817 -47.767 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 21.792 -34.705 -48.054 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 21.644 -33.851 -46.812 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 18.718 -37.043 -28.439 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 18.348 -37.845 -28.808 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 19.659 -37.212 -28.392 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 19.898 -37.622 -25.412 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 19.892 -36.743 -25.790 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 19.044 -37.705 -24.987 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 21.512 -37.111 -23.349 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 21.200 -36.329 -22.893 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 20.862 -37.264 -24.035 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 18.432 -40.913 -24.120 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 18.502 -40.262 -23.422 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 17.541 -40.810 -24.455 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 15.348 -38.846 -25.295 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 14.847 -38.874 -26.110 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 15.354 -39.752 -24.985 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 15.099 -36.066 -28.411 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 16.045 -36.210 -28.430 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 14.986 -35.282 -27.874 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 24.275 -35.826 -23.853 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 24.362 -35.000 -23.378 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 23.411 -36.156 -23.604 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 24.689 -32.054 -34.047 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 24.614 -32.175 -34.993 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 24.722 -31.104 -33.928 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 27.791 -32.900 -37.044 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 28.166 -33.644 -37.515 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 27.795 -33.170 -36.126 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 27.460 -32.974 -34.295 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 26.525 -32.874 -34.116 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 27.740 -33.683 -33.717 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 18.176 -39.058 -22.014 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 18.909 -38.804 -21.453 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 17.396 -38.854 -21.499 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 15.509 -41.294 -24.093 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 15.732 -41.712 -23.261 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 14.907 -41.907 -24.515 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 22.818 -34.425 -26.112 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 23.181 -33.570 -26.345 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 23.350 -34.717 -25.371 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 20.987 -33.552 -32.882 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 20.037 -33.447 -32.830 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 21.338 -32.732 -32.537 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 16.794 -34.736 -26.100 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 17.011 -35.668 -26.131 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 17.041 -34.462 -25.216 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 22.656 -36.285 -38.890 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 22.895 -37.033 -39.438 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 22.387 -36.673 -38.058 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 21.593 -36.715 -36.434 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 21.740 -37.235 -35.644 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 21.590 -35.808 -36.128 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 24.331 -35.017 -35.685 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 23.514 -34.520 -35.632 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 24.860 -34.542 -36.325 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 21.669 -33.974 -35.703 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 21.830 -33.174 -36.204 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 21.472 -33.667 -34.818 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 24.694 -34.422 -38.752 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 24.050 -35.053 -38.430 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 25.456 -34.953 -38.984 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 27.179 -35.550 -21.398 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 26.828 -36.406 -21.155 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 27.905 -35.407 -20.791 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 29.298 -34.605 -38.518 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 29.581 -35.399 -38.065 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 30.038 -34.372 -39.079 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 22.567 -39.069 -21.360 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 22.239 -38.798 -22.218 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 22.719 -40.010 -21.448 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 25.605 -37.648 -38.925 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 25.337 -37.468 -38.024 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 25.399 -38.574 -39.056 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 16.744 -41.839 -21.373 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 17.152 -42.696 -21.494 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 16.484 -41.824 -20.452 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 14.588 -31.760 -32.531 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 13.941 -32.222 -33.064 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 14.943 -32.432 -31.948 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 15.458 -33.679 -30.726 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 15.124 -34.560 -30.554 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 15.680 -33.334 -29.862 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 15.538 -40.604 -28.275 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 15.722 -40.686 -29.210 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 16.387 -40.728 -27.851 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 20.084 -34.876 -25.372 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 19.659 -34.067 -25.655 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 20.989 -34.791 -25.674 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 24.395 -33.477 -22.413 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 24.580 -33.811 -21.535 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 25.242 -33.168 -22.735 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 26.740 -32.192 -23.169 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 27.417 -32.824 -23.409 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 27.062 -31.790 -22.361 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 17.486 -31.620 -25.325 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 16.766 -31.180 -25.776 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 17.120 -31.871 -24.476 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 19.953 -32.020 -26.295 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 19.088 -31.948 -25.891 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 19.898 -31.473 -27.079 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 16.901 -32.997 -28.414 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 16.882 -33.422 -27.557 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 17.706 -33.315 -28.823 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 19.042 -34.287 -29.759 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 18.823 -35.203 -29.590 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 19.866 -34.147 -29.293 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 17.970 -32.853 -38.218 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 17.702 -32.566 -37.345 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 18.741 -33.399 -38.066 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 26.493 -40.363 -13.130 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 26.582 -39.419 -13.262 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 25.854 -40.638 -13.788 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 25.426 -41.108 -9.711 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 25.388 -41.754 -9.006 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 25.103 -41.574 -10.482 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 29.132 -38.169 -11.409 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 28.691 -38.889 -10.959 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 29.119 -37.448 -10.779 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 15.328 -43.383 -14.190 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 14.880 -42.537 -14.208 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 14.767 -43.963 -14.705 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 16.731 -43.783 -10.943 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 17.385 -44.333 -10.511 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 16.755 -44.057 -11.859 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 21.887 -42.233 -11.727 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 22.503 -42.759 -11.218 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 21.301 -42.873 -12.131 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 26.290 -37.762 -14.087 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 25.994 -38.084 -14.938 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 25.966 -36.862 -14.045 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 18.515 -45.370 -9.678 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 19.128 -44.737 -9.305 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 19.027 -45.842 -10.335 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 29.644 -36.329 -9.061 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 28.702 -36.271 -8.900 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 29.920 -35.423 -9.198 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 29.055 -36.647 -13.927 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 28.798 -37.337 -14.539 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 29.126 -37.090 -13.082 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 30.741 -38.081 -5.450 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 30.881 -38.672 -6.189 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 30.909 -37.208 -5.806 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 25.214 -41.119 -15.678 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 24.502 -40.584 -16.029 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 25.905 -41.063 -16.338 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 26.941 -36.007 -8.476 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 26.700 -35.345 -7.828 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 26.743 -36.841 -8.051 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 18.432 -40.913 -5.264 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 18.502 -40.262 -4.566 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 17.541 -40.810 -5.599 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 19.255 -41.209 -15.254 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 18.963 -40.441 -15.745 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 18.581 -41.869 -15.417 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 33.296 -35.400 -3.873 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 33.247 -36.355 -3.910 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 32.470 -35.132 -3.471 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 27.791 -32.900 -18.188 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 28.166 -33.644 -18.659 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 27.795 -33.170 -17.270 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 20.307 -44.087 -8.305 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 19.665 -44.128 -7.596 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 20.344 -43.161 -8.543 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 20.304 -43.866 -13.393 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 19.411 -44.207 -13.452 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 20.755 -44.243 -14.149 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 24.942 -43.275 -3.088 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 24.379 -43.979 -2.768 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 25.768 -43.395 -2.621 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 18.057 -43.767 -6.438 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 18.019 -43.367 -5.570 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 17.566 -44.584 -6.348 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 14.665 -46.651 -12.588 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 15.296 -46.680 -11.868 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 15.115 -47.076 -13.318 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 15.940 -45.905 -17.164 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 16.414 -45.314 -17.749 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 15.222 -45.374 -16.817 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 26.108 -42.366 -7.091 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 26.432 -42.997 -7.734 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 25.668 -42.901 -6.430 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 17.714 -44.810 -13.480 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 16.825 -44.710 -13.820 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 18.010 -45.652 -13.826 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 20.041 -43.615 -18.257 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 19.499 -43.995 -18.948 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 20.875 -43.421 -18.686 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 24.206 -43.651 -10.420 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 24.770 -44.198 -10.967 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 24.058 -44.173 -9.631 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 23.376 -39.050 -16.321 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 22.632 -39.557 -16.644 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 23.242 -39.001 -15.375 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 30.526 -39.917 -7.535 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 31.168 -39.460 -8.078 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 29.696 -39.804 -7.997 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 25.502 -37.591 -17.296 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 25.207 -36.765 -16.914 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 24.799 -38.211 -17.100 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 22.526 -41.777 -3.024 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 22.230 -41.943 -3.919 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 23.457 -41.997 -3.034 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 32.841 -38.359 -3.930 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 31.989 -38.121 -4.297 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 33.431 -38.376 -4.683 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 31.173 -35.373 -16.302 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 30.800 -36.199 -15.992 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 31.450 -35.556 -17.199 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 28.333 -40.565 -9.280 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 27.405 -40.797 -9.307 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 28.784 -41.342 -9.610 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 16.631 -41.375 -18.560 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 17.247 -40.748 -18.181 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 15.769 -41.059 -18.289 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 28.565 -37.397 -18.481 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 28.918 -37.777 -17.677 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 27.616 -37.490 -18.395 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 17.143 -46.541 -5.679 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 16.250 -46.202 -5.746 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 17.044 -47.396 -5.261 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 29.431 -38.724 -16.255 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 29.154 -39.452 -15.699 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 30.358 -38.605 -16.049 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 22.656 -36.285 -20.034 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 22.895 -37.033 -20.582 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 22.387 -36.673 -19.202 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 21.593 -36.715 -17.578 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 21.740 -37.235 -16.788 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 21.590 -35.808 -17.272 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 16.978 -44.184 -19.055 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 16.933 -43.245 -18.876 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 16.090 -44.420 -19.325 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 30.291 -33.520 -9.119 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 30.135 -32.842 -9.776 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 31.223 -33.448 -8.916 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 24.694 -34.422 -19.896 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 24.050 -35.053 -19.574 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 25.456 -34.953 -20.128 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 29.298 -34.605 -19.662 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 29.581 -35.399 -19.209 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 30.038 -34.372 -20.223 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 15.912 -39.039 -1.937 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 16.056 -39.941 -2.223 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 15.139 -38.753 -2.425 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 20.253 -38.695 -19.805 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 20.317 -39.489 -19.274 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 20.906 -38.814 -20.494 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 25.605 -37.648 -20.069 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 25.337 -37.468 -19.168 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 25.399 -38.574 -20.200 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 28.302 -39.153 -5.121 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 29.047 -38.565 -5.241 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 27.545 -38.571 -5.058 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 16.744 -41.839 -2.517 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 17.152 -42.696 -2.638 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 16.484 -41.824 -1.596 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 21.402 -40.723 -17.499 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 20.943 -41.207 -16.813 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 21.657 -41.391 -18.135 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 20.691 -42.830 -5.143 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 20.073 -42.155 -4.862 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 21.035 -42.509 -5.976 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 25.711 -40.359 -1.865 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 26.664 -40.275 -1.893 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 25.551 -41.070 -1.246 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 23.025 -41.666 -6.328 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 23.776 -41.822 -6.901 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 22.686 -40.814 -6.604 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 28.757 -41.062 -3.222 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 28.476 -40.353 -3.800 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 29.700 -41.135 -3.373 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 19.509 -44.277 -2.149 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 18.742 -44.809 -2.359 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 20.188 -44.587 -2.748 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 33.007 -32.870 -8.890 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 32.985 -32.685 -7.951 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 33.697 -32.301 -9.231 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 32.570 -33.303 -5.968 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 32.083 -34.038 -6.339 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 33.119 -33.696 -5.290 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 31.021 -37.513 -1.330 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 30.155 -37.618 -0.936 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 31.397 -36.754 -0.883 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 32.475 -38.418 -9.044 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 33.309 -38.796 -9.325 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 32.587 -37.475 -9.163 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 30.962 -35.540 -6.737 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 30.314 -35.215 -6.112 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 30.444 -35.980 -7.412 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 15.136 -45.333 -3.278 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 16.055 -45.455 -3.042 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 14.686 -46.083 -2.889 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 16.357 -47.021 -10.387 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 16.802 -47.813 -10.085 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 16.823 -46.305 -9.956 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 14.661 -44.022 -9.318 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 15.153 -44.243 -10.108 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 15.023 -43.181 -9.037 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 29.745 -32.780 -13.318 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 30.398 -33.127 -13.926 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 30.256 -32.291 -12.672 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 31.725 -33.000 -15.310 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 31.531 -33.748 -15.875 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 31.686 -32.242 -15.894 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 26.243 -33.064 7.659 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 26.863 -33.741 7.386 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 26.035 -33.282 8.567 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 26.290 -37.762 4.769 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 25.994 -38.084 3.918 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 25.966 -36.862 4.811 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 16.019 -37.951 3.082 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 15.747 -37.722 2.193 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 16.064 -37.113 3.542 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 27.896 -34.548 6.420 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 28.321 -35.255 5.935 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 28.213 -33.747 6.003 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 29.055 -36.647 4.929 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 28.798 -37.337 4.317 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 29.126 -37.090 5.774 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 25.214 -41.119 3.178 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 24.502 -40.584 2.827 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 25.905 -41.063 2.518 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 25.268 -42.661 0.217 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 25.969 -42.639 0.868 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 25.570 -43.289 -0.439 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 27.491 -41.747 1.815 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 28.070 -41.597 2.562 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 27.905 -41.276 1.092 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 25.217 -35.010 5.250 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 25.691 -34.715 6.028 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 24.654 -34.272 5.017 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 19.255 -41.209 3.602 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 18.963 -40.441 3.111 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 18.581 -41.869 3.439 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 32.379 -35.631 0.005 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 32.452 -34.692 0.175 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 33.284 -35.936 -0.052 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 18.343 -33.265 5.446 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 18.495 -33.613 6.325 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 17.492 -33.621 5.191 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 28.968 -40.714 -0.555 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 29.010 -40.937 -1.485 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 29.817 -40.316 -0.365 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 20.041 -43.615 0.599 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 19.499 -43.995 -0.092 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 20.875 -43.421 0.170 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 23.376 -39.050 2.535 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 22.632 -39.557 2.212 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 23.242 -39.001 3.481 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 25.502 -37.591 1.560 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 25.207 -36.765 1.942 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 24.799 -38.211 1.756 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 31.173 -35.373 2.554 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 30.800 -36.199 2.864 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 31.450 -35.556 1.657 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 20.876 -36.237 5.709 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 21.403 -35.464 5.508 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 19.996 -36.012 5.407 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 16.631 -41.375 0.296 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 17.247 -40.748 0.675 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 15.769 -41.059 0.567 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 22.303 -38.574 5.285 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 22.062 -37.649 5.327 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 21.563 -39.033 5.681 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 20.987 -33.552 4.830 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 20.037 -33.447 4.882 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 21.338 -32.732 5.175 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 28.565 -37.397 0.375 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 28.918 -37.777 1.179 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 27.616 -37.490 0.461 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 33.069 -32.917 0.576 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 33.812 -32.331 0.436 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 32.374 -32.349 0.909 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 29.431 -38.724 2.601 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 29.154 -39.452 3.157 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 30.358 -38.605 2.807 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 18.046 -39.462 1.788 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 17.360 -39.110 2.355 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 18.569 -38.699 1.542 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 18.662 -36.848 0.685 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 19.254 -36.149 0.961 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 19.121 -37.281 -0.034 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 16.716 -35.462 4.635 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 15.884 -34.989 4.662 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 17.262 -34.952 4.036 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 21.402 -40.723 1.357 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 20.943 -41.207 2.043 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 21.657 -41.391 0.721 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 22.473 -42.480 -0.380 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 22.293 -42.634 -1.308 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 23.424 -42.372 -0.336 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 15.939 -37.153 0.104 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 16.853 -37.074 0.377 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 15.946 -37.840 -0.563 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 29.745 -32.780 5.538 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 30.398 -33.127 4.930 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 30.256 -32.291 6.184 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 16.152 -33.773 2.469 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 15.467 -33.811 1.801 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 16.155 -32.860 2.757 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 31.725 -33.000 3.546 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 31.531 -33.748 2.981 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 31.686 -32.242 2.962 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 26.493 -21.507 -50.842 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 26.582 -20.563 -50.974 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 25.854 -21.782 -51.500 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 29.132 -19.313 -49.121 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 28.691 -20.033 -48.671 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 29.119 -18.592 -48.491 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 16.038 -22.365 -49.776 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 16.252 -23.135 -49.249 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 16.776 -22.276 -50.379 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 26.243 -14.208 -48.909 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 26.863 -14.885 -49.182 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 26.035 -14.426 -48.001 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 26.956 -25.425 -46.689 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 27.099 -26.372 -46.669 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 26.850 -25.218 -47.618 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 20.111 -27.324 -49.417 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 20.154 -26.464 -49.835 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 19.653 -27.876 -50.050 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 16.731 -24.927 -48.655 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 17.385 -25.477 -48.223 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 16.755 -25.201 -49.571 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 21.887 -23.377 -49.439 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 22.503 -23.903 -48.930 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 21.301 -24.017 -49.843 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 26.290 -18.906 -51.799 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 25.994 -19.228 -52.650 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 25.966 -18.006 -51.757 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 29.644 -17.473 -46.773 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 28.702 -17.415 -46.612 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 29.920 -16.567 -46.910 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 29.944 -29.187 -45.356 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 29.208 -28.576 -45.394 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 30.628 -28.772 -45.882 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 22.947 -31.100 -47.890 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 22.830 -32.049 -47.944 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 22.092 -30.768 -47.617 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 27.896 -15.692 -50.148 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 28.321 -16.399 -50.633 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 28.213 -14.891 -50.565 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 29.055 -17.791 -51.639 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 28.798 -18.481 -52.251 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 29.126 -18.234 -50.794 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 30.741 -19.225 -43.162 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 30.881 -19.816 -43.901 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 30.909 -18.352 -43.518 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 25.217 -16.154 -51.318 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 25.691 -15.859 -50.540 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 24.654 -15.416 -51.551 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 19.255 -22.353 -52.966 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 18.963 -21.585 -53.457 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 18.581 -23.013 -53.129 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 15.348 -19.990 -44.151 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 14.847 -20.018 -44.966 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 15.354 -20.896 -43.841 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 15.099 -17.210 -47.267 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 16.045 -17.354 -47.286 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 14.986 -16.426 -46.730 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 18.343 -14.409 -51.122 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 18.495 -14.757 -50.243 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 17.492 -14.765 -51.377 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 30.448 -25.051 -41.105 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 30.041 -24.570 -41.825 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 30.489 -25.956 -41.412 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 24.879 -30.475 -43.738 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 25.299 -30.890 -42.985 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 23.946 -30.653 -43.621 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 20.304 -25.010 -51.105 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 19.411 -25.351 -51.164 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 20.755 -25.387 -51.861 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 26.844 -25.148 -49.474 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 26.649 -24.543 -50.189 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 27.026 -25.982 -49.909 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 14.665 -27.795 -50.300 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 15.296 -27.824 -49.580 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 15.115 -28.220 -51.030 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 22.886 -27.583 -50.019 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 21.975 -27.526 -49.730 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 23.391 -27.643 -49.208 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 17.714 -25.954 -51.192 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 16.825 -25.854 -51.532 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 18.010 -26.796 -51.538 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 27.291 -28.348 -46.755 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 26.614 -28.217 -46.091 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 26.805 -28.503 -47.565 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 24.206 -24.795 -48.132 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 24.770 -25.342 -48.679 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 24.058 -25.317 -47.343 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 19.208 -28.659 -51.714 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 18.891 -29.561 -51.749 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 19.989 -28.657 -52.266 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 23.376 -20.194 -54.033 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 22.632 -20.701 -54.356 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 23.242 -20.145 -53.087 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 30.526 -21.061 -45.247 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 31.168 -20.604 -45.790 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 29.696 -20.948 -45.709 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 15.509 -22.438 -42.949 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 15.732 -22.856 -42.117 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 14.907 -23.051 -43.371 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 32.841 -19.503 -41.642 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 31.989 -19.265 -42.009 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 33.431 -19.520 -42.395 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 28.333 -21.709 -46.992 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 27.405 -21.941 -47.019 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 28.784 -22.486 -47.322 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 20.876 -17.381 -50.859 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 21.403 -16.608 -51.060 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 19.996 -17.156 -51.161 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 22.303 -19.718 -51.283 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 22.062 -18.793 -51.241 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 21.563 -20.177 -50.887 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 20.987 -14.696 -51.738 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 20.037 -14.591 -51.686 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 21.338 -13.876 -51.393 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 29.021 -14.918 -42.798 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 28.419 -15.473 -43.293 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 29.302 -14.251 -43.424 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 24.746 -29.483 -51.631 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 24.399 -28.865 -50.986 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 25.404 -28.982 -52.112 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 30.602 -27.671 -42.549 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 29.686 -27.408 -42.637 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 30.938 -27.674 -43.446 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 29.204 -23.920 -48.453 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 28.407 -24.335 -48.782 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 29.649 -24.611 -47.962 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 30.291 -14.664 -46.831 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 30.135 -13.986 -47.488 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 31.223 -14.592 -46.628 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 17.786 -30.546 -48.094 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 17.557 -30.487 -49.021 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 17.343 -31.338 -47.787 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 16.716 -16.606 -51.933 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 15.884 -16.133 -51.906 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 17.262 -16.096 -52.532 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 27.179 -16.694 -40.254 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 26.828 -17.550 -40.011 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 27.905 -16.551 -39.647 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 16.744 -22.983 -40.229 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 17.152 -23.840 -40.350 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 16.484 -22.968 -39.308 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 28.757 -22.206 -40.934 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 28.476 -21.497 -41.512 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 29.700 -22.279 -41.085 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 27.863 -28.710 -39.204 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 27.766 -29.662 -39.210 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 27.541 -28.441 -38.343 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 32.570 -14.447 -43.680 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 32.083 -15.182 -44.051 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 33.119 -14.840 -43.002 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 31.021 -18.657 -39.042 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 30.155 -18.762 -38.648 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 31.397 -17.898 -38.595 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 32.475 -19.562 -46.756 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 33.309 -19.940 -47.037 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 32.587 -18.619 -46.875 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 30.962 -16.684 -44.449 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 30.314 -16.359 -43.824 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 30.444 -17.124 -45.124 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 15.538 -21.748 -47.131 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 15.722 -21.830 -48.066 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 16.387 -21.872 -46.707 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 31.359 -21.856 -41.502 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 31.942 -22.590 -41.311 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 31.923 -21.084 -41.456 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 32.856 -23.953 -40.818 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 31.993 -24.332 -40.983 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 33.460 -24.692 -40.892 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 30.825 -25.662 -47.243 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 31.758 -25.450 -47.277 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 30.590 -25.560 -46.320 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 30.854 -24.925 -44.467 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 30.011 -24.657 -44.101 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 31.297 -24.103 -44.678 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 15.136 -26.477 -40.990 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 16.055 -26.599 -40.754 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 14.686 -27.227 -40.601 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 16.357 -28.165 -48.099 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 16.802 -28.957 -47.797 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 16.823 -27.449 -47.668 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 14.661 -25.166 -47.030 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 15.153 -25.387 -47.820 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 15.023 -24.325 -46.749 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 14.938 -30.170 -44.631 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 14.273 -30.416 -43.988 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 14.495 -29.548 -45.208 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 26.740 -13.336 -42.025 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 27.417 -13.968 -42.265 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 27.062 -12.934 -41.217 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 17.486 -12.764 -44.181 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 16.766 -12.324 -44.632 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 17.120 -13.015 -43.332 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 29.596 -12.828 -44.735 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 29.414 -11.912 -44.946 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 29.772 -13.238 -45.582 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 16.901 -14.141 -47.270 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 16.882 -14.566 -46.413 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 17.706 -14.459 -47.679 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 19.042 -15.431 -48.615 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 18.823 -16.347 -48.446 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 19.866 -15.291 -48.149 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 21.579 -14.961 -47.767 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 21.792 -15.849 -48.054 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 21.644 -14.995 -46.812 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 25.088 -29.297 -48.622 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 24.413 -29.926 -48.367 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 25.652 -29.781 -49.225 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 17.414 -30.663 -50.800 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 16.637 -30.897 -51.308 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 17.945 -31.460 -50.792 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 21.994 -30.736 -50.987 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 22.868 -30.348 -51.017 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 21.858 -30.951 -50.064 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 17.372 -30.149 -41.283 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 17.006 -30.914 -40.840 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 18.285 -30.120 -40.996 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 27.767 -31.466 -39.565 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 27.843 -31.892 -38.711 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 28.660 -31.452 -39.907 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 30.943 -15.393 -40.872 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 30.161 -15.579 -41.392 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 30.871 -14.464 -40.655 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 17.794 -22.637 -26.974 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 17.836 -23.263 -26.250 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 18.497 -22.014 -26.792 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 18.718 -18.187 -28.439 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 18.348 -18.989 -28.808 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 19.659 -18.356 -28.392 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 20.111 -27.324 -30.561 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 20.154 -26.464 -30.979 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 19.653 -27.876 -31.194 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 18.921 -28.406 -26.487 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 18.702 -27.876 -27.253 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 18.253 -28.179 -25.839 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 21.490 -20.730 -26.199 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 20.750 -20.132 -26.096 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 22.204 -20.176 -26.515 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 18.515 -26.514 -28.534 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 19.128 -25.881 -28.161 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 19.027 -26.986 -29.191 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 19.898 -18.766 -25.412 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 19.892 -17.887 -25.790 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 19.044 -18.849 -24.987 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 25.214 -22.263 -34.534 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 24.502 -21.728 -34.885 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 25.905 -22.207 -35.194 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 20.265 -21.423 -31.699 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 19.935 -21.793 -32.518 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 20.853 -22.093 -31.353 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 20.632 -22.654 -28.066 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 21.197 -22.533 -28.829 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 20.951 -22.017 -27.427 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 21.512 -18.255 -23.349 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 21.200 -17.473 -22.893 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 20.862 -18.408 -24.035 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 27.491 -22.891 -35.897 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 28.070 -22.741 -35.150 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 27.905 -22.420 -36.620 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 18.432 -22.057 -24.120 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 18.502 -21.406 -23.422 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 17.541 -21.954 -24.455 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 19.751 -16.183 -22.585 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 19.759 -16.319 -23.533 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 18.835 -16.301 -22.333 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 19.255 -22.353 -34.110 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 18.963 -21.585 -34.601 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 18.581 -23.013 -34.273 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 24.689 -13.198 -34.047 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 24.614 -13.319 -34.993 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 24.722 -12.248 -33.928 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 27.791 -14.044 -37.044 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 28.166 -14.788 -37.515 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 27.795 -14.314 -36.126 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 27.460 -14.118 -34.295 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 26.525 -14.018 -34.116 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 27.740 -14.827 -33.717 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 20.216 -30.197 -28.256 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 19.355 -30.284 -28.664 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 20.194 -29.341 -27.829 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 28.968 -21.858 -38.267 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 29.010 -22.081 -39.197 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 29.817 -21.460 -38.077 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 20.307 -25.231 -27.161 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 19.665 -25.272 -26.452 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 20.344 -24.305 -27.399 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 20.304 -25.010 -32.249 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 19.411 -25.351 -32.308 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 20.755 -25.387 -33.005 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 25.840 -24.594 -33.432 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 25.431 -23.779 -33.724 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 26.560 -24.734 -34.047 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 15.940 -27.049 -36.020 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 16.414 -26.458 -36.605 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 15.222 -26.518 -35.673 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 17.714 -25.954 -32.336 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 16.825 -25.854 -32.676 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 18.010 -26.796 -32.682 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 21.367 -25.954 -34.680 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 22.299 -25.825 -34.502 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 21.152 -25.284 -35.329 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 20.041 -24.759 -37.113 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 19.499 -25.139 -37.804 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 20.875 -24.565 -37.542 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 18.176 -20.202 -22.014 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 18.909 -19.948 -21.453 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 17.396 -19.998 -21.499 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 19.208 -28.659 -32.858 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 18.891 -29.561 -32.893 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 19.989 -28.657 -33.410 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 23.376 -20.194 -35.177 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 22.632 -20.701 -35.500 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 23.242 -20.145 -34.231 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 27.274 -27.380 -36.978 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 26.336 -27.268 -37.129 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 27.571 -26.523 -36.672 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 27.992 -25.513 -35.317 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 28.884 -25.650 -34.998 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 28.049 -24.722 -35.854 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 18.501 -20.899 -29.408 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 19.246 -20.901 -30.009 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 18.579 -21.723 -28.926 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 25.502 -18.735 -36.152 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 25.207 -17.909 -35.770 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 24.799 -19.355 -35.956 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 22.526 -22.921 -21.880 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 22.230 -23.087 -22.775 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 23.457 -23.141 -21.890 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 20.876 -17.381 -32.003 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 21.403 -16.608 -32.204 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 19.996 -17.156 -32.305 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 16.631 -22.519 -37.416 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 17.247 -21.892 -37.037 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 15.769 -22.203 -37.145 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 22.303 -19.718 -32.427 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 22.062 -18.793 -32.385 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 21.563 -20.177 -32.031 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 20.987 -14.696 -32.882 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 20.037 -14.591 -32.830 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 21.338 -13.876 -32.537 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 28.565 -18.541 -37.337 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 28.918 -18.921 -36.533 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 27.616 -18.634 -37.251 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 26.662 -28.292 -34.548 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 26.882 -27.820 -35.351 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 27.220 -27.897 -33.877 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 24.331 -16.161 -35.685 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 23.514 -15.664 -35.632 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 24.860 -15.686 -36.325 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 23.862 -26.564 -33.713 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 24.674 -26.060 -33.667 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 23.617 -26.709 -32.799 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 24.746 -29.483 -32.775 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 24.399 -28.865 -32.130 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 25.404 -28.982 -33.256 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 21.669 -15.118 -35.703 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 21.830 -14.318 -36.204 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 21.472 -14.811 -34.818 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 20.403 -28.420 -36.087 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 20.320 -27.531 -35.741 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 21.293 -28.685 -35.856 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 16.978 -25.328 -37.911 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 16.933 -24.389 -37.732 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 16.090 -25.564 -38.181 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 17.786 -30.546 -29.238 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 17.557 -30.487 -30.165 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 17.343 -31.338 -28.931 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 16.005 -13.993 -21.747 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 16.545 -14.210 -20.988 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 15.524 -14.799 -21.937 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 20.602 -15.074 -20.127 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 21.370 -15.533 -19.786 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 20.581 -15.300 -21.057 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 24.694 -15.566 -38.752 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 24.050 -16.197 -38.430 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 25.456 -16.097 -38.984 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 29.298 -15.749 -38.518 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 29.581 -16.543 -38.065 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 30.038 -15.516 -39.079 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 22.567 -20.213 -21.360 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 22.239 -19.942 -22.218 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 22.719 -21.154 -21.448 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 25.605 -18.792 -38.925 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 25.337 -18.612 -38.024 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 25.399 -19.718 -39.056 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 21.402 -21.867 -36.355 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 20.943 -22.351 -35.669 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 21.657 -22.535 -36.991 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 20.691 -23.974 -23.999 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 20.073 -23.299 -23.718 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 21.035 -23.653 -24.832 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 25.711 -21.503 -20.721 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 26.664 -21.419 -20.749 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 25.551 -22.214 -20.102 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 31.863 -21.269 -38.647 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 31.590 -21.694 -39.460 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 31.903 -20.338 -38.864 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 21.031 -26.619 -22.916 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 21.181 -27.348 -23.519 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 21.033 -25.842 -23.475 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 21.443 -28.249 -25.424 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 21.979 -27.798 -26.076 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 20.591 -28.357 -25.846 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 19.509 -25.421 -21.005 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 18.742 -25.953 -21.215 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 20.188 -25.731 -21.604 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 22.249 -30.793 -24.992 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 22.151 -29.846 -25.098 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 21.506 -31.165 -25.468 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 23.513 -26.471 -21.429 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 23.277 -26.691 -20.527 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 22.730 -26.678 -21.938 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 27.863 -28.710 -20.348 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 27.766 -29.662 -20.354 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 27.541 -28.441 -19.487 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 22.471 -31.499 -22.321 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 23.183 -32.139 -22.335 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 22.370 -31.232 -23.235 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 22.824 -29.816 -20.267 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 22.693 -30.292 -21.088 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 22.225 -29.072 -20.323 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 31.333 -25.206 -37.906 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 31.430 -24.539 -38.586 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 31.193 -26.022 -38.388 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 30.581 -27.798 -38.789 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 31.191 -28.170 -38.152 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 29.744 -28.220 -38.593 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 16.357 -28.165 -29.243 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 16.802 -28.957 -28.941 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 16.823 -27.449 -28.812 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 17.130 -16.995 -21.631 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 16.309 -16.820 -22.091 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 16.878 -17.068 -20.710 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 20.084 -16.020 -25.372 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 19.659 -15.211 -25.655 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 20.989 -15.935 -25.674 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 17.486 -12.764 -25.325 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 16.766 -12.324 -25.776 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 17.120 -13.015 -24.476 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 19.953 -13.164 -26.295 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 19.088 -13.092 -25.891 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 19.898 -12.617 -27.079 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 19.042 -15.431 -29.759 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 18.823 -16.347 -29.590 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 19.866 -15.291 -29.293 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 21.579 -14.961 -28.911 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 21.792 -15.849 -29.198 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 21.644 -14.995 -27.956 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 17.414 -30.663 -31.944 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 16.637 -30.897 -32.452 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 17.945 -31.460 -31.936 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 16.251 -30.865 -36.141 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 16.690 -30.254 -36.732 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 15.617 -30.327 -35.667 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 21.994 -30.736 -32.131 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 22.868 -30.348 -32.161 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 21.858 -30.951 -31.208 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 28.904 -30.680 -34.789 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 28.201 -30.066 -34.999 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 28.459 -31.518 -34.658 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 18.112 -28.949 -37.698 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 18.603 -29.579 -38.226 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 18.735 -28.653 -37.035 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 23.138 -28.656 -35.241 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 23.316 -29.302 -34.558 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 23.084 -27.822 -34.774 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 27.767 -31.466 -20.709 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 27.843 -31.892 -19.855 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 28.660 -31.452 -21.051 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 26.493 -21.507 -13.130 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 26.582 -20.563 -13.262 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 25.854 -21.782 -13.788 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 25.426 -22.252 -9.711 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 25.388 -22.898 -9.006 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 25.103 -22.718 -10.482 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 23.815 -19.819 -9.305 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 24.119 -20.505 -9.899 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 24.537 -19.701 -8.687 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 32.478 -28.218 -8.444 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 32.527 -27.608 -7.708 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 32.904 -27.757 -9.167 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 26.956 -25.425 -8.977 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 27.099 -26.372 -8.957 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 26.850 -25.218 -9.906 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 27.833 -27.193 -13.304 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 28.479 -27.522 -12.679 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 28.343 -26.675 -13.927 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 32.870 -26.740 -6.208 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 32.181 -26.082 -6.303 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 32.885 -26.937 -5.271 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 26.290 -18.906 -14.087 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 25.994 -19.228 -14.938 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 25.966 -18.006 -14.045 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 21.490 -20.730 -7.343 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 20.750 -20.132 -7.240 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 22.204 -20.176 -7.659 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 29.597 -27.902 -11.323 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 29.382 -28.668 -10.791 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 30.253 -27.430 -10.810 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 19.898 -18.766 -6.556 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 19.892 -17.887 -6.934 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 19.044 -18.849 -6.131 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 29.944 -29.187 -7.644 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 29.208 -28.576 -7.682 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 30.628 -28.772 -8.170 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 25.214 -22.263 -15.678 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 24.502 -21.728 -16.029 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 25.905 -22.207 -16.338 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 25.268 -23.805 -18.639 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 25.969 -23.783 -17.988 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 25.570 -24.433 -19.295 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 28.517 -23.879 -5.658 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 28.597 -23.116 -5.086 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 27.916 -23.600 -6.349 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 21.632 -17.995 -10.162 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 21.537 -18.573 -10.919 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 22.361 -18.366 -9.666 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 21.512 -18.255 -4.493 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 21.200 -17.473 -4.037 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 20.862 -18.408 -5.179 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 25.217 -16.154 -13.606 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 25.691 -15.859 -12.828 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 24.654 -15.416 -13.839 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 19.751 -16.183 -3.729 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 19.759 -16.319 -4.677 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 18.835 -16.301 -3.477 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 31.189 -31.141 -17.228 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 30.290 -31.002 -16.933 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 31.441 -30.310 -17.630 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 15.348 -19.990 -6.439 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 14.847 -20.018 -7.254 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 15.354 -20.896 -6.129 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 30.448 -25.051 -3.393 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 30.041 -24.570 -4.113 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 30.489 -25.956 -3.700 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 17.597 -18.667 -5.396 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 17.814 -19.028 -4.536 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 16.742 -19.041 -5.606 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 24.541 -27.982 -18.741 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 24.287 -27.963 -17.818 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 24.284 -28.854 -19.042 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 25.840 -24.594 -14.576 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 25.431 -23.779 -14.868 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 26.560 -24.734 -15.191 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 24.942 -24.419 -3.088 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 24.379 -25.123 -2.768 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 25.768 -24.539 -2.621 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 26.844 -25.148 -11.762 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 26.649 -24.543 -12.477 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 27.026 -25.982 -12.197 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 21.423 -27.537 -19.640 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 20.992 -27.982 -18.910 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 20.705 -27.165 -20.152 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 26.108 -23.510 -7.091 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 26.432 -24.141 -7.734 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 25.668 -24.045 -6.430 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 27.291 -28.348 -9.043 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 26.614 -28.217 -8.379 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 26.805 -28.503 -9.853 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 18.176 -20.202 -3.158 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 18.909 -19.948 -2.597 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 17.396 -19.998 -2.643 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 27.274 -27.380 -18.122 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 26.336 -27.268 -18.273 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 27.571 -26.523 -17.816 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 24.896 -20.010 -5.084 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 24.550 -20.391 -4.278 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 24.696 -19.076 -5.013 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 27.992 -25.513 -16.461 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 28.884 -25.650 -16.142 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 28.049 -24.722 -16.998 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 25.502 -18.735 -17.296 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 25.207 -17.909 -16.914 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 24.799 -19.355 -17.100 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 22.526 -22.921 -3.024 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 22.230 -23.087 -3.919 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 23.457 -23.141 -3.034 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 20.876 -17.381 -13.147 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 21.403 -16.608 -13.348 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 19.996 -17.156 -13.449 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 22.818 -15.569 -7.256 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 23.181 -14.714 -7.489 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 23.350 -15.861 -6.515 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 20.987 -14.696 -14.026 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 20.037 -14.591 -13.974 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 21.338 -13.876 -13.681 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 26.362 -19.470 -7.555 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 25.936 -19.697 -6.729 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 26.943 -20.208 -7.738 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 22.656 -17.429 -20.034 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 22.895 -18.177 -20.582 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 22.387 -17.817 -19.202 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 26.662 -28.292 -15.692 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 26.882 -27.820 -16.495 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 27.220 -27.897 -15.021 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 24.331 -16.161 -16.829 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 23.514 -15.664 -16.776 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 24.860 -15.686 -17.469 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 23.862 -26.564 -14.857 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 24.674 -26.060 -14.811 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 23.617 -26.709 -13.943 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 24.398 -25.578 -5.672 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 24.517 -25.004 -4.915 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 25.053 -26.266 -5.557 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 21.669 -15.118 -16.847 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 21.830 -14.318 -17.348 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 21.472 -14.811 -15.962 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 30.602 -27.671 -4.837 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 29.686 -27.408 -4.925 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 30.938 -27.674 -5.734 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 16.005 -13.993 -2.891 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 16.545 -14.210 -2.132 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 15.524 -14.799 -3.081 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 15.912 -20.183 -1.937 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 16.056 -21.085 -2.223 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 15.139 -19.897 -2.425 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 22.567 -20.213 -2.504 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 22.239 -19.942 -3.362 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 22.719 -21.154 -2.592 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 25.605 -18.792 -20.069 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 25.337 -18.612 -19.168 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 25.399 -19.718 -20.200 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 16.744 -22.983 -2.517 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 17.152 -23.840 -2.638 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 16.484 -22.968 -1.596 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 22.473 -23.624 -19.236 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 22.293 -23.778 -20.164 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 23.424 -23.516 -19.192 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 25.711 -21.503 -1.865 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 26.664 -21.419 -1.893 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 25.551 -22.214 -1.246 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 27.441 -24.995 -1.300 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 27.633 -25.926 -1.411 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 28.298 -24.570 -1.310 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 28.757 -22.206 -3.222 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 28.476 -21.497 -3.800 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 29.700 -22.279 -3.373 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 19.509 -25.421 -2.149 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 18.742 -25.953 -2.359 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 20.188 -25.731 -2.748 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 23.513 -26.471 -2.573 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 23.277 -26.691 -1.671 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 22.730 -26.678 -3.082 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 17.690 -27.500 -2.444 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 17.901 -28.207 -3.055 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 17.578 -27.938 -1.600 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 32.856 -23.953 -3.106 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 31.993 -24.332 -3.271 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 33.460 -24.692 -3.180 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 30.213 -26.243 -14.967 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 30.493 -27.150 -14.842 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 30.972 -25.809 -15.356 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 30.825 -25.662 -9.531 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 31.758 -25.450 -9.565 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 30.590 -25.560 -8.608 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 30.854 -24.925 -6.755 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 30.011 -24.657 -6.389 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 31.297 -24.103 -6.966 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 30.827 -28.980 -14.918 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 31.009 -29.429 -14.093 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 30.227 -29.565 -15.382 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 17.130 -16.995 -2.775 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 16.309 -16.820 -3.235 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 16.878 -17.068 -1.854 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 20.084 -16.020 -6.516 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 19.659 -15.211 -6.799 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 20.989 -15.935 -6.818 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 17.486 -12.764 -6.469 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 16.766 -12.324 -6.920 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 17.120 -13.015 -5.620 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 24.664 -13.276 -8.263 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 24.207 -12.747 -8.917 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 24.827 -12.673 -7.538 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 30.230 -31.190 -10.798 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 30.834 -30.642 -11.299 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 29.361 -30.870 -11.038 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 31.957 -30.051 -12.464 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 32.569 -30.565 -12.991 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 32.340 -29.173 -12.441 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 27.551 -30.706 -11.626 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 27.627 -30.611 -12.575 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 27.275 -31.614 -11.497 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 28.904 -30.680 -15.933 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 28.201 -30.066 -16.143 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 28.459 -31.518 -15.802 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 17.970 -13.997 -19.362 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 17.702 -13.710 -18.489 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 18.741 -14.543 -19.210 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 27.833 -27.193 5.552 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 28.479 -27.522 6.177 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 28.343 -26.675 4.929 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 29.597 -27.902 7.533 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 29.382 -28.668 8.065 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 30.253 -27.430 8.046 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 22.947 -31.100 8.678 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 22.830 -32.049 8.624 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 22.092 -30.768 8.951 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 25.268 -23.805 0.217 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 25.969 -23.783 0.868 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 25.570 -24.433 -0.439 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 27.491 -22.891 1.815 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 28.070 -22.741 2.562 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 27.905 -22.420 1.092 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 28.968 -21.858 -0.555 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 29.010 -22.081 -1.485 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 29.817 -21.460 -0.365 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 25.840 -24.594 4.280 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 25.431 -23.779 3.988 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 26.560 -24.734 3.665 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 26.844 -25.148 7.094 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 26.649 -24.543 6.379 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 27.026 -25.982 6.659 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 21.423 -27.537 -0.784 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 20.992 -27.982 -0.054 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 20.705 -27.165 -1.296 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 15.940 -27.049 1.692 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 16.414 -26.458 1.107 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 15.222 -26.518 2.039 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 22.886 -27.583 6.549 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 21.975 -27.526 6.838 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 23.391 -27.643 7.360 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 21.367 -25.954 3.032 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 22.299 -25.825 3.210 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 21.152 -25.284 2.383 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 20.041 -24.759 0.599 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 19.499 -25.139 -0.092 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 20.875 -24.565 0.170 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 19.208 -28.659 4.854 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 18.891 -29.561 4.819 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 19.989 -28.657 4.302 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 27.992 -25.513 2.395 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 28.884 -25.650 2.714 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 28.049 -24.722 1.858 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 32.877 -25.303 2.089 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 32.323 -25.699 1.417 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 32.978 -24.393 1.812 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 16.631 -22.519 0.296 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 17.247 -21.892 0.675 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 15.769 -22.203 0.567 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 23.862 -26.564 3.999 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 24.674 -26.060 4.045 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 23.617 -26.709 4.913 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 20.403 -28.420 1.625 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 20.320 -27.531 1.971 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 21.293 -28.685 1.856 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 16.978 -25.328 -0.199 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 16.933 -24.389 -0.020 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 16.090 -25.564 -0.469 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 22.473 -23.624 -0.380 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 22.293 -23.778 -1.308 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 23.424 -23.516 -0.336 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 15.939 -18.297 0.104 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 16.853 -18.218 0.377 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 15.946 -18.984 -0.563 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 14.588 -12.904 5.181 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 13.941 -13.366 4.648 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 14.943 -13.576 5.764 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 31.333 -25.206 -0.194 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 31.430 -24.539 -0.874 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 31.193 -26.022 -0.676 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 30.213 -26.243 3.889 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 30.493 -27.150 4.014 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 30.972 -25.809 3.500 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 30.827 -28.980 3.938 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 31.009 -29.429 4.763 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 30.227 -29.565 3.474 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 14.974 -28.908 3.593 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 14.049 -28.699 3.463 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 15.428 -28.424 2.903 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 25.088 -29.297 7.946 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 24.413 -29.926 8.201 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 25.652 -29.781 7.343 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 30.230 -31.190 8.058 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 30.834 -30.642 7.557 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 29.361 -30.870 7.818 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 31.957 -30.051 6.392 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 32.569 -30.565 5.865 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 32.340 -29.173 6.415 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 17.414 -30.663 5.768 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 16.637 -30.897 5.260 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 17.945 -31.460 5.776 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 16.251 -30.865 1.571 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 16.690 -30.254 0.980 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 15.617 -30.327 2.045 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 21.994 -30.736 5.581 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 22.868 -30.348 5.551 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 21.858 -30.951 6.504 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 27.551 -30.706 7.230 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 27.627 -30.611 6.281 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 27.275 -31.614 7.359 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 16.152 -14.917 2.469 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 15.467 -14.955 1.801 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 16.155 -14.004 2.757 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 17.970 -13.997 -0.506 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 17.702 -13.710 0.367 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 18.741 -14.543 -0.354 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 18.921 -9.550 -45.343 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 18.702 -9.020 -46.109 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 18.253 -9.323 -44.695 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 22.947 -12.244 -47.890 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 22.830 -13.193 -47.944 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 22.092 -11.912 -47.617 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 20.216 -11.341 -47.112 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 19.355 -11.428 -47.520 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 20.194 -10.485 -46.685 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 24.879 -11.619 -43.738 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 25.299 -12.034 -42.985 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 23.946 -11.797 -43.621 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 24.942 -5.563 -40.800 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 24.379 -6.267 -40.480 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 25.768 -5.683 -40.333 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 22.832 -7.551 -45.718 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 21.997 -7.097 -45.608 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 23.356 -7.275 -44.966 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 17.143 -8.829 -43.391 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 16.250 -8.490 -43.458 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 17.044 -9.684 -42.973 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 25.878 -9.088 -44.501 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 26.576 -9.014 -43.851 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 25.497 -9.952 -44.346 0.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 24.398 -6.722 -43.384 0.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 24.517 -6.148 -42.627 0.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 25.053 -7.410 -43.269 0.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 17.786 -11.690 -48.094 0.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 17.557 -11.631 -49.021 0.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 17.343 -12.482 -47.787 0.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 21.031 -7.763 -41.772 0.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 21.181 -8.492 -42.375 0.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 21.033 -6.986 -42.331 0.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 21.443 -9.393 -44.280 0.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 21.979 -8.942 -44.932 0.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 20.591 -9.501 -44.702 0.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 19.509 -6.565 -39.861 0.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 18.742 -7.097 -40.071 0.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 20.188 -6.875 -40.460 0.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 23.513 -7.615 -40.285 0.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 23.277 -7.835 -39.383 0.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 22.730 -7.822 -40.794 0.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 26.229 -8.488 -41.209 0.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 25.281 -8.456 -41.077 0.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 26.541 -9.113 -40.555 0.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 27.863 -9.854 -39.204 0.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 27.766 -10.806 -39.210 0.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 27.541 -9.585 -38.343 0.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 17.690 -8.644 -40.156 0.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 17.901 -9.351 -40.767 0.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 17.578 -9.082 -39.312 0.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 15.136 -7.621 -40.990 0.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 16.055 -7.743 -40.754 0.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 14.686 -8.371 -40.601 0.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 14.938 -11.314 -44.631 0.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 14.273 -11.560 -43.988 0.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 14.495 -10.692 -45.208 0.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 25.088 -10.441 -48.622 0.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 24.413 -11.070 -48.367 0.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 25.652 -10.925 -49.225 0.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 21.994 -11.880 -50.987 0.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 22.868 -11.492 -51.017 0.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 21.858 -12.095 -50.064 0.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 27.551 -11.850 -49.338 0.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 27.627 -11.755 -50.287 0.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 27.275 -12.758 -49.209 0.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 27.767 -12.610 -39.565 0.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 27.843 -13.036 -38.711 0.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 28.660 -12.596 -39.907 0.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 17.794 -3.781 -26.974 0.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 17.836 -4.407 -26.250 0.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 18.497 -3.158 -26.792 0.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 15.328 -5.671 -33.046 0.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 14.880 -4.825 -33.064 0.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 14.767 -6.251 -33.561 0.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 20.111 -8.468 -30.561 0.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 20.154 -7.608 -30.979 0.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 19.653 -9.020 -31.194 0.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 16.731 -6.071 -29.799 0.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 17.385 -6.621 -29.367 0.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 16.755 -6.345 -30.715 0.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 18.921 -9.550 -26.487 0.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 18.702 -9.020 -27.253 0.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 18.253 -9.323 -25.839 0.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 18.515 -7.658 -28.534 0.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 19.128 -7.025 -28.161 0.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 19.027 -8.130 -29.191 0.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 25.268 -4.949 -37.495 0.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 25.969 -4.927 -36.844 0.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 25.570 -5.577 -38.151 0.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 18.432 -3.201 -24.120 0.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 18.502 -2.550 -23.422 0.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 17.541 -3.098 -24.455 0.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 19.255 -3.497 -34.110 0.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 18.963 -2.729 -34.601 0.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 18.581 -4.157 -34.273 0.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 20.216 -11.341 -28.256 0.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 19.355 -11.428 -28.664 0.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 20.194 -10.485 -27.829 0.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 24.541 -9.126 -37.597 0.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 24.287 -9.107 -36.674 0.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 24.284 -9.998 -37.898 0.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 20.304 -6.154 -32.249 0.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 19.411 -6.495 -32.308 0.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 20.755 -6.531 -33.005 0.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 18.057 -6.055 -25.294 0.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 18.019 -5.655 -24.426 0.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 17.566 -6.872 -25.204 0.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 22.886 -8.727 -31.163 0.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 21.975 -8.670 -30.874 0.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 23.391 -8.787 -30.352 0.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 17.714 -7.098 -32.336 0.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 16.825 -6.998 -32.676 0.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 18.010 -7.940 -32.682 0.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 21.367 -7.098 -34.680 0.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 22.299 -6.969 -34.502 0.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 21.152 -6.428 -35.329 0.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 20.041 -5.903 -37.113 0.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 19.499 -6.283 -37.804 0.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 20.875 -5.709 -37.542 0.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 27.274 -8.524 -36.978 0.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 26.336 -8.412 -37.129 0.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 27.571 -7.667 -36.672 0.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 15.509 -3.582 -24.093 0.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 15.732 -4.000 -23.261 0.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 14.907 -4.195 -24.515 0.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 16.631 -3.663 -37.416 0.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 17.247 -3.036 -37.037 0.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 15.769 -3.347 -37.145 0.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 26.662 -9.436 -34.548 0.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 26.882 -8.964 -35.351 0.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 27.220 -9.041 -33.877 0.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 23.862 -7.708 -33.713 0.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 24.674 -7.204 -33.667 0.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 23.617 -7.853 -32.799 0.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 24.746 -10.627 -32.775 0.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 24.399 -10.009 -32.130 0.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 25.404 -10.126 -33.256 0.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 16.978 -6.472 -37.911 0.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 16.933 -5.533 -37.732 0.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 16.090 -6.708 -38.181 0.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 16.744 -4.127 -21.373 0.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 17.152 -4.984 -21.494 0.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 16.484 -4.112 -20.452 0.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 22.473 -4.768 -38.092 0.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 22.293 -4.922 -39.020 0.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 23.424 -4.660 -38.048 0.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 21.031 -7.763 -22.916 0.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 21.181 -8.492 -23.519 0.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 21.033 -6.986 -23.475 0.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 19.509 -6.565 -21.005 0.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 18.742 -7.097 -21.215 0.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 20.188 -6.875 -21.604 0.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 17.690 -8.644 -21.300 0.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 17.901 -9.351 -21.911 0.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 17.578 -9.082 -20.456 0.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 15.538 -2.892 -28.275 0.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 15.722 -2.974 -29.210 0.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 16.387 -3.016 -27.851 0.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 14.661 -6.310 -28.174 0.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 15.153 -6.531 -28.964 0.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 15.023 -5.469 -27.893 0.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 21.994 -11.880 -32.131 0.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 22.868 -11.492 -32.161 0.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 21.858 -12.095 -31.208 0.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 28.904 -11.824 -34.789 0.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 28.201 -11.210 -34.999 0.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 28.459 -12.662 -34.658 0.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 23.138 -9.800 -35.241 0.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 23.316 -10.446 -34.558 0.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 23.084 -8.966 -34.774 0.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 17.372 -11.293 -22.427 0.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 17.006 -12.058 -21.984 0.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 18.285 -11.264 -22.140 0.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 19.345 -11.942 -20.891 0.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 20.244 -12.216 -21.076 0.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 18.959 -12.685 -20.427 0.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 20.111 -8.468 -11.705 0.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 20.154 -7.608 -12.123 0.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 19.653 -9.020 -12.338 0.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 16.731 -6.071 -10.943 0.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 17.385 -6.621 -10.511 0.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 16.755 -6.345 -11.859 0.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 18.921 -9.550 -7.631 0.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 18.702 -9.020 -8.397 0.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 18.253 -9.323 -6.983 0.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 18.515 -7.658 -9.678 0.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 19.128 -7.025 -9.305 0.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 19.027 -8.130 -10.335 0.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 22.947 -12.244 -10.178 0.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 22.830 -13.193 -10.232 0.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 22.092 -11.912 -9.905 0.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 20.216 -11.341 -9.400 0.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 19.355 -11.428 -9.808 0.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 20.194 -10.485 -8.973 0.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 14.665 -8.939 -12.588 0.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 15.296 -8.968 -11.868 0.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 15.115 -9.364 -13.318 0.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 15.940 -8.193 -17.164 0.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 16.414 -7.602 -17.749 0.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 15.222 -7.662 -16.817 0.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 22.886 -8.727 -12.307 0.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 21.975 -8.670 -12.018 0.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 23.391 -8.787 -11.496 0.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 17.714 -7.098 -13.480 0.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 16.825 -6.998 -13.820 0.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 18.010 -7.940 -13.826 0.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 19.208 -9.803 -14.002 0.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 18.891 -10.705 -14.037 0.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 19.989 -9.801 -14.554 0.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 17.143 -8.829 -5.679 0.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 16.250 -8.490 -5.746 0.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 17.044 -9.684 -5.261 0.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 16.978 -6.472 -19.055 0.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 16.933 -5.533 -18.876 0.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 16.090 -6.708 -19.325 0.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 21.443 -9.393 -6.568 0.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 21.979 -8.942 -7.220 0.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 20.591 -9.501 -6.990 0.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 22.249 -11.937 -6.136 0.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 22.151 -10.990 -6.242 0.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 21.506 -12.309 -6.612 0.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 17.690 -8.644 -2.444 0.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 17.901 -9.351 -3.055 0.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 17.578 -9.082 -1.600 0.00 0.00 WAT1 ATOM 4731 OH2 TIP3 1099 15.136 -7.621 -3.278 0.00 0.00 WAT1 ATOM 4732 H1 TIP3 1099 16.055 -7.743 -3.042 0.00 0.00 WAT1 ATOM 4733 H2 TIP3 1099 14.686 -8.371 -2.889 0.00 0.00 WAT1 ATOM 4734 OH2 TIP3 1100 16.357 -9.309 -10.387 0.00 0.00 WAT1 ATOM 4735 H1 TIP3 1100 16.802 -10.101 -10.085 0.00 0.00 WAT1 ATOM 4736 H2 TIP3 1100 16.823 -8.593 -9.956 0.00 0.00 WAT1 ATOM 4737 OH2 TIP3 1101 14.661 -6.310 -9.318 0.00 0.00 WAT1 ATOM 4738 H1 TIP3 1101 15.153 -6.531 -10.108 0.00 0.00 WAT1 ATOM 4739 H2 TIP3 1101 15.023 -5.469 -9.037 0.00 0.00 WAT1 ATOM 4740 OH2 TIP3 1102 14.974 -10.052 -15.263 0.00 0.00 WAT1 ATOM 4741 H1 TIP3 1102 14.049 -9.843 -15.393 0.00 0.00 WAT1 ATOM 4742 H2 TIP3 1102 15.428 -9.568 -15.953 0.00 0.00 WAT1 ATOM 4743 OH2 TIP3 1103 14.938 -11.314 -6.919 0.00 0.00 WAT1 ATOM 4744 H1 TIP3 1103 14.273 -11.560 -6.276 0.00 0.00 WAT1 ATOM 4745 H2 TIP3 1103 14.495 -10.692 -7.496 0.00 0.00 WAT1 ATOM 4746 OH2 TIP3 1104 16.251 -12.009 -17.285 0.00 0.00 WAT1 ATOM 4747 H1 TIP3 1104 16.690 -11.398 -17.876 0.00 0.00 WAT1 ATOM 4748 H2 TIP3 1104 15.617 -11.471 -16.811 0.00 0.00 WAT1 ATOM 4749 OH2 TIP3 1105 21.994 -11.880 -13.275 0.00 0.00 WAT1 ATOM 4750 H1 TIP3 1105 22.868 -11.492 -13.305 0.00 0.00 WAT1 ATOM 4751 H2 TIP3 1105 21.858 -12.095 -12.352 0.00 0.00 WAT1 ATOM 4752 OH2 TIP3 1106 18.112 -10.093 -18.842 0.00 0.00 WAT1 ATOM 4753 H1 TIP3 1106 18.603 -10.723 -19.370 0.00 0.00 WAT1 ATOM 4754 H2 TIP3 1106 18.735 -9.797 -18.179 0.00 0.00 WAT1 ATOM 4755 OH2 TIP3 1107 17.372 -11.293 -3.571 0.00 0.00 WAT1 ATOM 4756 H1 TIP3 1107 17.006 -12.058 -3.128 0.00 0.00 WAT1 ATOM 4757 H2 TIP3 1107 18.285 -11.264 -3.284 0.00 0.00 WAT1 ATOM 4758 OH2 TIP3 1108 19.345 -11.942 -2.035 0.00 0.00 WAT1 ATOM 4759 H1 TIP3 1108 20.244 -12.216 -2.220 0.00 0.00 WAT1 ATOM 4760 H2 TIP3 1108 18.959 -12.685 -1.571 0.00 0.00 WAT1 ATOM 4761 OH2 TIP3 1109 15.940 -8.193 1.692 0.00 0.00 WAT1 ATOM 4762 H1 TIP3 1109 16.414 -7.602 1.107 0.00 0.00 WAT1 ATOM 4763 H2 TIP3 1109 15.222 -7.662 2.039 0.00 0.00 WAT1 ATOM 4764 OH2 TIP3 1110 16.978 -6.472 -0.199 0.00 0.00 WAT1 ATOM 4765 H1 TIP3 1110 16.933 -5.533 -0.020 0.00 0.00 WAT1 ATOM 4766 H2 TIP3 1110 16.090 -6.708 -0.469 0.00 0.00 WAT1 ATOM 4767 OH2 TIP3 1111 14.974 -10.052 3.593 0.00 0.00 WAT1 ATOM 4768 H1 TIP3 1111 14.049 -9.843 3.463 0.00 0.00 WAT1 ATOM 4769 H2 TIP3 1111 15.428 -9.568 2.903 0.00 0.00 WAT1 ATOM 4770 OH2 TIP3 1112 16.251 -12.009 1.571 0.00 0.00 WAT1 ATOM 4771 H1 TIP3 1112 16.690 -11.398 0.980 0.00 0.00 WAT1 ATOM 4772 H2 TIP3 1112 15.617 -11.471 2.045 0.00 0.00 WAT1 ATOM 4773 OH2 TIP3 1113 18.112 -10.093 0.014 0.00 0.00 WAT1 ATOM 4774 H1 TIP3 1113 18.603 -10.723 -0.514 0.00 0.00 WAT1 ATOM 4775 H2 TIP3 1113 18.735 -9.797 0.677 0.00 0.00 WAT1 ATOM 4776 OH2 TIP3 1114 33.955 -36.066 -9.555 0.00 0.00 WAT1 ATOM 4777 H1 TIP3 1114 34.901 -36.210 -9.574 0.00 0.00 WAT1 ATOM 4778 H2 TIP3 1114 33.842 -35.282 -9.018 0.00 0.00 WAT1 ATOM 4779 OH2 TIP3 1115 35.650 -34.736 -7.244 0.00 0.00 WAT1 ATOM 4780 H1 TIP3 1115 35.867 -35.668 -7.275 0.00 0.00 WAT1 ATOM 4781 H2 TIP3 1115 35.897 -34.462 -6.360 0.00 0.00 WAT1 ATOM 4782 OH2 TIP3 1116 34.861 -32.849 -2.891 0.00 0.00 WAT1 ATOM 4783 H1 TIP3 1116 35.401 -33.066 -2.132 0.00 0.00 WAT1 ATOM 4784 H2 TIP3 1116 34.380 -33.655 -3.081 0.00 0.00 WAT1 ATOM 4785 OH2 TIP3 1117 35.986 -35.851 -2.775 0.00 0.00 WAT1 ATOM 4786 H1 TIP3 1117 35.165 -35.676 -3.235 0.00 0.00 WAT1 ATOM 4787 H2 TIP3 1117 35.734 -35.924 -1.854 0.00 0.00 WAT1 ATOM 4788 OH2 TIP3 1118 36.342 -31.620 -6.469 0.00 0.00 WAT1 ATOM 4789 H1 TIP3 1118 35.622 -31.180 -6.920 0.00 0.00 WAT1 ATOM 4790 H2 TIP3 1118 35.976 -31.871 -5.620 0.00 0.00 WAT1 ATOM 4791 OH2 TIP3 1119 33.444 -31.760 5.181 0.00 0.00 WAT1 ATOM 4792 H1 TIP3 1119 32.797 -32.222 4.648 0.00 0.00 WAT1 ATOM 4793 H2 TIP3 1119 33.799 -32.432 5.764 0.00 0.00 WAT1 ATOM 4794 OH2 TIP3 1120 35.008 -33.773 2.469 0.00 0.00 WAT1 ATOM 4795 H1 TIP3 1120 34.323 -33.811 1.801 0.00 0.00 WAT1 ATOM 4796 H2 TIP3 1120 35.011 -32.860 2.757 0.00 0.00 WAT1 ATOM 4797 OH2 TIP3 1121 36.826 -32.853 -0.506 0.00 0.00 WAT1 ATOM 4798 H1 TIP3 1121 36.558 -32.566 0.367 0.00 0.00 WAT1 ATOM 4799 H2 TIP3 1121 37.597 -33.399 -0.354 0.00 0.00 WAT1 ATOM 4800 OH2 TIP3 1122 35.999 -27.685 -5.679 0.00 0.00 WAT1 ATOM 4801 H1 TIP3 1122 35.106 -27.346 -5.746 0.00 0.00 WAT1 ATOM 4802 H2 TIP3 1122 35.900 -28.540 -5.261 0.00 0.00 WAT1 ATOM 4803 OH2 TIP3 1123 36.546 -27.500 -2.444 0.00 0.00 WAT1 ATOM 4804 H1 TIP3 1123 36.757 -28.207 -3.055 0.00 0.00 WAT1 ATOM 4805 H2 TIP3 1123 36.434 -27.938 -1.600 0.00 0.00 WAT1 ATOM 4806 OH2 TIP3 1124 33.992 -26.477 -3.278 0.00 0.00 WAT1 ATOM 4807 H1 TIP3 1124 34.911 -26.599 -3.042 0.00 0.00 WAT1 ATOM 4808 H2 TIP3 1124 33.542 -27.227 -2.889 0.00 0.00 WAT1 ATOM 4809 OH2 TIP3 1125 33.794 -30.170 -6.919 0.00 0.00 WAT1 ATOM 4810 H1 TIP3 1125 33.129 -30.416 -6.276 0.00 0.00 WAT1 ATOM 4811 H2 TIP3 1125 33.351 -29.548 -7.496 0.00 0.00 WAT1 ATOM 4812 OH2 TIP3 1126 36.228 -30.149 -3.571 0.00 0.00 WAT1 ATOM 4813 H1 TIP3 1126 35.862 -30.914 -3.128 0.00 0.00 WAT1 ATOM 4814 H2 TIP3 1126 37.141 -30.120 -3.284 0.00 0.00 WAT1 ATOM 4815 OH2 TIP3 1127 34.796 -27.049 1.692 0.00 0.00 WAT1 ATOM 4816 H1 TIP3 1127 35.270 -26.458 1.107 0.00 0.00 WAT1 ATOM 4817 H2 TIP3 1127 34.078 -26.518 2.039 0.00 0.00 WAT1 ATOM 4818 OH2 TIP3 1128 35.834 -25.328 -0.199 0.00 0.00 WAT1 ATOM 4819 H1 TIP3 1128 35.789 -24.389 -0.020 0.00 0.00 WAT1 ATOM 4820 H2 TIP3 1128 34.946 -25.564 -0.469 0.00 0.00 WAT1 ATOM 4821 OH2 TIP3 1129 33.830 -28.908 3.593 0.00 0.00 WAT1 ATOM 4822 H1 TIP3 1129 32.905 -28.699 3.463 0.00 0.00 WAT1 ATOM 4823 H2 TIP3 1129 34.284 -28.424 2.903 0.00 0.00 WAT1 ATOM 4824 OH2 TIP3 1130 35.107 -30.865 1.571 0.00 0.00 WAT1 ATOM 4825 H1 TIP3 1130 35.546 -30.254 0.980 0.00 0.00 WAT1 ATOM 4826 H2 TIP3 1130 34.473 -30.327 2.045 0.00 0.00 WAT1 ATOM 4827 OH2 TIP3 1131 36.968 -28.949 0.014 0.00 0.00 WAT1 ATOM 4828 H1 TIP3 1131 37.459 -29.579 -0.514 0.00 0.00 WAT1 ATOM 4829 H2 TIP3 1131 37.591 -28.653 0.677 0.00 0.00 WAT1 END