REMARK FILENAME="resa_20_waterIni.pdb" 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:28-Feb-2011 16:49:54 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 17.265 -1.294 -12.872 1.00 53.01 A ATOM 2 CB MET 1 16.562 0.656 -13.405 1.00 70.11 A ATOM 3 HB1 MET 1 15.600 1.100 -13.616 1.00 24.20 A ATOM 4 HB2 MET 1 17.250 0.915 -14.195 1.00 44.15 A ATOM 5 CG MET 1 17.084 1.247 -12.105 1.00 61.45 A ATOM 6 HG1 MET 1 16.486 0.869 -11.289 1.00 51.43 A ATOM 7 HG2 MET 1 16.991 2.321 -12.150 1.00 53.55 A ATOM 8 SD MET 1 18.811 0.831 -11.798 1.00 23.41 A ATOM 9 CE MET 1 19.386 2.333 -11.010 1.00 65.04 A ATOM 10 HE1 MET 1 18.828 2.500 -10.102 1.00 35.04 A ATOM 11 HE2 MET 1 20.436 2.237 -10.775 1.00 60.42 A ATOM 12 HE3 MET 1 19.242 3.168 -11.681 1.00 2.14 A ATOM 13 C MET 1 15.151 -1.240 -12.584 1.00 54.51 A ATOM 14 O MET 1 15.224 -1.926 -11.566 1.00 74.52 A ATOM 15 N MET 1 16.354 -1.404 -14.720 1.00 60.14 A ATOM 16 HT1 MET 1 17.227 -1.164 -15.238 1.00 38.47 A ATOM 17 HT2 MET 1 15.539 -1.017 -15.245 1.00 38.47 A ATOM 18 HT3 MET 1 16.267 -2.443 -14.692 1.00 38.47 A ATOM 19 CA MET 1 16.405 -0.865 -13.366 1.00 73.52 A ATOM 20 N GLY 2 13.998 -0.782 -13.067 1.00 62.31 A ATOM 21 HN GLY 2 14.002 -0.239 -13.883 1.00 14.11 A ATOM 22 CA GLY 2 12.745 -1.079 -12.400 1.00 71.12 A ATOM 23 HA1 GLY 2 12.364 -0.172 -11.954 1.00 34.05 A ATOM 24 HA2 GLY 2 12.927 -1.803 -11.620 1.00 60.33 A ATOM 25 C GLY 2 11.700 -1.632 -13.349 1.00 42.33 A ATOM 26 O GLY 2 12.027 -2.356 -14.290 1.00 73.20 A ATOM 27 N HIS 3 10.439 -1.291 -13.102 1.00 62.14 A ATOM 28 HN HIS 3 10.242 -0.711 -12.338 1.00 1.02 A ATOM 29 CA HIS 3 9.342 -1.759 -13.942 1.00 64.32 A ATOM 30 HA HIS 3 8.417 -1.449 -13.482 1.00 34.32 A ATOM 31 CB HIS 3 9.438 -1.137 -15.336 1.00 33.43 A ATOM 32 HB1 HIS 3 8.534 -1.359 -15.885 1.00 32.44 A ATOM 33 HB2 HIS 3 10.283 -1.564 -15.856 1.00 12.32 A ATOM 34 CG HIS 3 9.612 0.350 -15.317 1.00 64.01 A ATOM 35 ND1 HIS 3 8.771 1.198 -14.628 1.00 42.03 A ATOM 36 HD1 HIS 3 7.994 0.926 -14.097 1.00 5.22 A ATOM 37 CD2 HIS 3 10.540 1.140 -15.907 1.00 21.21 A ATOM 38 HD2 HIS 3 11.361 0.811 -16.529 1.00 53.22 A ATOM 39 CE1 HIS 3 9.173 2.445 -14.797 1.00 13.34 A ATOM 40 HE1 HIS 3 8.705 3.322 -14.375 1.00 41.41 A ATOM 41 NE2 HIS 3 10.245 2.437 -15.568 1.00 53.42 A ATOM 42 HE2 HIS 3 10.799 3.219 -15.773 1.00 38.47 A ATOM 43 C HIS 3 9.352 -3.281 -14.050 1.00 31.24 A ATOM 44 O HIS 3 8.955 -3.844 -15.070 1.00 60.24 A ATOM 45 N HIS 4 9.808 -3.942 -12.990 1.00 42.31 A ATOM 46 HN HIS 4 10.110 -3.437 -12.206 1.00 63.34 A ATOM 47 CA HIS 4 9.870 -5.399 -12.966 1.00 15.23 A ATOM 48 HA HIS 4 10.398 -5.723 -13.849 1.00 72.33 A ATOM 49 CB HIS 4 10.629 -5.878 -11.728 1.00 51.31 A ATOM 50 HB1 HIS 4 10.399 -6.919 -11.553 1.00 43.01 A ATOM 51 HB2 HIS 4 10.315 -5.296 -10.874 1.00 33.32 A ATOM 52 CG HIS 4 12.116 -5.748 -11.850 1.00 50.43 A ATOM 53 ND1 HIS 4 12.726 -4.853 -12.704 1.00 54.13 A ATOM 54 HD1 HIS 4 12.265 -4.229 -13.303 1.00 63.22 A ATOM 55 CD2 HIS 4 13.117 -6.404 -11.219 1.00 30.42 A ATOM 56 HD2 HIS 4 13.006 -7.181 -10.475 1.00 60.43 A ATOM 57 CE1 HIS 4 14.037 -4.966 -12.594 1.00 61.32 A ATOM 58 HE1 HIS 4 14.770 -4.393 -13.142 1.00 54.40 A ATOM 59 NE2 HIS 4 14.301 -5.901 -11.699 1.00 11.33 A ATOM 60 HE2 HIS 4 15.193 -6.253 -11.497 1.00 38.47 A ATOM 61 C HIS 4 8.468 -6.002 -12.982 1.00 41.12 A ATOM 62 O HIS 4 7.540 -5.457 -12.384 1.00 33.42 A ATOM 63 N HIS 5 8.322 -7.129 -13.672 1.00 1.12 A ATOM 64 HN HIS 5 9.099 -7.514 -14.127 1.00 63.42 A ATOM 65 CA HIS 5 7.034 -7.806 -13.766 1.00 54.13 A ATOM 66 HA HIS 5 6.276 -7.055 -13.932 1.00 60.12 A ATOM 67 CB HIS 5 7.032 -8.783 -14.942 1.00 50.35 A ATOM 68 HB1 HIS 5 7.807 -9.521 -14.791 1.00 13.45 A ATOM 69 HB2 HIS 5 7.233 -8.239 -15.854 1.00 2.03 A ATOM 70 CG HIS 5 5.733 -9.507 -15.117 1.00 71.44 A ATOM 71 ND1 HIS 5 4.571 -8.883 -15.519 1.00 11.13 A ATOM 72 HD1 HIS 5 4.475 -7.930 -15.724 1.00 11.24 A ATOM 73 CD2 HIS 5 5.417 -10.812 -14.945 1.00 32.22 A ATOM 74 HD2 HIS 5 6.089 -11.599 -14.632 1.00 35.41 A ATOM 75 CE1 HIS 5 3.596 -9.772 -15.584 1.00 12.23 A ATOM 76 HE1 HIS 5 2.574 -9.570 -15.869 1.00 62.10 A ATOM 77 NE2 HIS 5 4.083 -10.951 -15.241 1.00 0.43 A ATOM 78 HE2 HIS 5 3.553 -11.765 -15.110 1.00 38.47 A ATOM 79 C HIS 5 6.714 -8.549 -12.472 1.00 51.54 A ATOM 80 O HIS 5 7.316 -9.580 -12.171 1.00 52.25 A ATOM 81 N HIS 6 5.763 -8.017 -11.710 1.00 64.10 A ATOM 82 HN HIS 6 5.320 -7.194 -12.003 1.00 61.14 A ATOM 83 CA HIS 6 5.364 -8.630 -10.448 1.00 51.21 A ATOM 84 HA HIS 6 6.259 -8.839 -9.883 1.00 64.41 A ATOM 85 CB HIS 6 4.484 -7.670 -9.647 1.00 14.00 A ATOM 86 HB1 HIS 6 3.815 -8.243 -9.020 1.00 44.30 A ATOM 87 HB2 HIS 6 3.902 -7.070 -10.331 1.00 12.20 A ATOM 88 CG HIS 6 5.259 -6.740 -8.766 1.00 23.14 A ATOM 89 ND1 HIS 6 4.726 -6.152 -7.638 1.00 42.11 A ATOM 90 HD1 HIS 6 3.812 -6.275 -7.306 1.00 51.10 A ATOM 91 CD2 HIS 6 6.536 -6.299 -8.850 1.00 41.24 A ATOM 92 HD2 HIS 6 7.255 -6.558 -9.615 1.00 3.20 A ATOM 93 CE1 HIS 6 5.641 -5.388 -7.068 1.00 50.24 A ATOM 94 HE1 HIS 6 5.507 -4.804 -6.170 1.00 40.12 A ATOM 95 NE2 HIS 6 6.748 -5.460 -7.784 1.00 54.23 A ATOM 96 HE2 HIS 6 7.551 -4.917 -7.639 1.00 38.47 A ATOM 97 C HIS 6 4.619 -9.939 -10.691 1.00 41.14 A ATOM 98 O HIS 6 4.055 -10.154 -11.765 1.00 0.12 A ATOM 99 N HIS 7 4.622 -10.811 -9.688 1.00 71.13 A ATOM 100 HN HIS 7 5.089 -10.583 -8.858 1.00 13.42 A ATOM 101 CA HIS 7 3.946 -12.100 -9.794 1.00 5.43 A ATOM 102 HA HIS 7 3.722 -12.272 -10.835 1.00 63.34 A ATOM 103 CB HIS 7 4.857 -13.219 -9.289 1.00 31.34 A ATOM 104 HB1 HIS 7 4.248 -14.062 -8.990 1.00 4.52 A ATOM 105 HB2 HIS 7 5.415 -12.863 -8.435 1.00 34.20 A ATOM 106 CG HIS 7 5.840 -13.700 -10.312 1.00 12.45 A ATOM 107 ND1 HIS 7 5.706 -14.899 -10.979 1.00 50.30 A ATOM 108 HD1 HIS 7 4.978 -15.543 -10.857 1.00 63.15 A ATOM 109 CD2 HIS 7 6.976 -13.134 -10.781 1.00 41.25 A ATOM 110 HD2 HIS 7 7.392 -12.183 -10.479 1.00 42.23 A ATOM 111 CE1 HIS 7 6.718 -15.051 -11.814 1.00 4.40 A ATOM 112 HE1 HIS 7 6.877 -15.895 -12.468 1.00 5.11 A ATOM 113 NE2 HIS 7 7.503 -13.993 -11.714 1.00 24.12 A ATOM 114 HE2 HIS 7 8.273 -13.805 -12.290 1.00 38.47 A ATOM 115 C HIS 7 2.641 -12.095 -9.005 1.00 14.33 A ATOM 116 O HIS 7 1.688 -12.791 -9.357 1.00 12.10 A ATOM 117 N HIS 8 2.604 -11.306 -7.935 1.00 52.13 A ATOM 118 HN HIS 8 3.395 -10.775 -7.706 1.00 32.33 A ATOM 119 CA HIS 8 1.415 -11.211 -7.096 1.00 53.21 A ATOM 120 HA HIS 8 0.710 -11.958 -7.431 1.00 45.15 A ATOM 121 CB HIS 8 1.773 -11.485 -5.635 1.00 55.41 A ATOM 122 HB1 HIS 8 2.082 -10.561 -5.168 1.00 25.03 A ATOM 123 HB2 HIS 8 2.587 -12.193 -5.598 1.00 3.45 A ATOM 124 CG HIS 8 0.637 -12.048 -4.836 1.00 12.31 A ATOM 125 ND1 HIS 8 0.155 -13.327 -5.013 1.00 14.02 A ATOM 126 HD1 HIS 8 0.489 -13.981 -5.660 1.00 65.01 A ATOM 127 CD2 HIS 8 -0.110 -11.498 -3.850 1.00 22.24 A ATOM 128 HD2 HIS 8 -0.008 -10.500 -3.448 1.00 50.51 A ATOM 129 CE1 HIS 8 -0.841 -13.539 -4.171 1.00 73.42 A ATOM 130 HE1 HIS 8 -1.412 -14.452 -4.084 1.00 25.02 A ATOM 131 NE2 HIS 8 -1.021 -12.445 -3.454 1.00 21.24 A ATOM 132 HE2 HIS 8 -1.633 -12.363 -2.692 1.00 38.47 A ATOM 133 C HIS 8 0.768 -9.835 -7.224 1.00 52.05 A ATOM 134 O HIS 8 1.061 -8.926 -6.448 1.00 41.45 A ATOM 135 N SER 9 -0.113 -9.690 -8.209 1.00 42.15 A ATOM 136 HN SER 9 -0.305 -10.452 -8.795 1.00 74.41 A ATOM 137 CA SER 9 -0.799 -8.424 -8.442 1.00 44.23 A ATOM 138 HA SER 9 -0.060 -7.701 -8.757 1.00 41.12 A ATOM 139 CB SER 9 -1.845 -8.581 -9.547 1.00 61.34 A ATOM 140 HB1 SER 9 -2.433 -7.678 -9.613 1.00 10.12 A ATOM 141 HB2 SER 9 -2.488 -9.415 -9.313 1.00 53.14 A ATOM 142 OG SER 9 -1.229 -8.818 -10.802 1.00 41.50 A ATOM 143 HG SER 9 -1.607 -9.605 -11.200 1.00 70.43 A ATOM 144 C SER 9 -1.463 -7.923 -7.164 1.00 10.00 A ATOM 145 O SER 9 -1.611 -8.668 -6.194 1.00 41.34 A ATOM 146 N HIS 10 -1.863 -6.655 -7.170 1.00 21.20 A ATOM 147 HN HIS 10 -1.717 -6.112 -7.972 1.00 73.23 A ATOM 148 CA HIS 10 -2.514 -6.053 -6.012 1.00 34.35 A ATOM 149 HA HIS 10 -2.569 -6.802 -5.236 1.00 72.32 A ATOM 150 CB HIS 10 -1.695 -4.867 -5.500 1.00 34.43 A ATOM 151 HB1 HIS 10 -0.802 -5.236 -5.017 1.00 22.12 A ATOM 152 HB2 HIS 10 -2.284 -4.315 -4.782 1.00 75.05 A ATOM 153 CG HIS 10 -1.277 -3.917 -6.580 1.00 34.55 A ATOM 154 ND1 HIS 10 -0.061 -3.268 -6.581 1.00 12.41 A ATOM 155 HD1 HIS 10 0.634 -3.354 -5.897 1.00 73.41 A ATOM 156 CD2 HIS 10 -1.921 -3.510 -7.698 1.00 72.24 A ATOM 157 HD2 HIS 10 -2.906 -3.820 -8.021 1.00 44.41 A ATOM 158 CE1 HIS 10 0.024 -2.500 -7.653 1.00 23.30 A ATOM 159 HE1 HIS 10 0.863 -1.874 -7.917 1.00 62.11 A ATOM 160 NE2 HIS 10 -1.091 -2.630 -8.348 1.00 54.21 A ATOM 161 HE2 HIS 10 -1.328 -2.102 -9.139 1.00 38.47 A ATOM 162 C HIS 10 -3.928 -5.599 -6.358 1.00 71.00 A ATOM 163 O HIS 10 -4.383 -5.762 -7.490 1.00 23.01 A ATOM 164 N MET 11 -4.619 -5.029 -5.376 1.00 22.53 A ATOM 165 HN MET 11 -4.203 -4.927 -4.494 1.00 65.13 A ATOM 166 CA MET 11 -5.982 -4.551 -5.578 1.00 23.53 A ATOM 167 HA MET 11 -6.601 -5.405 -5.811 1.00 45.21 A ATOM 168 CB MET 11 -6.508 -3.890 -4.302 1.00 52.03 A ATOM 169 HB1 MET 11 -7.322 -3.230 -4.562 1.00 53.10 A ATOM 170 HB2 MET 11 -5.712 -3.310 -3.858 1.00 31.54 A ATOM 171 CG MET 11 -7.011 -4.882 -3.266 1.00 42.14 A ATOM 172 HG1 MET 11 -7.473 -5.713 -3.779 1.00 63.31 A ATOM 173 HG2 MET 11 -7.746 -4.392 -2.646 1.00 34.32 A ATOM 174 SD MET 11 -5.694 -5.512 -2.210 1.00 23.22 A ATOM 175 CE MET 11 -6.312 -5.062 -0.591 1.00 10.33 A ATOM 176 HE1 MET 11 -5.505 -4.668 0.007 1.00 3.14 A ATOM 177 HE2 MET 11 -7.081 -4.311 -0.696 1.00 11.11 A ATOM 178 HE3 MET 11 -6.726 -5.936 -0.108 1.00 2.43 A ATOM 179 C MET 11 -6.046 -3.565 -6.739 1.00 52.14 A ATOM 180 O MET 11 -5.015 -3.122 -7.247 1.00 1.12 A ATOM 181 N SER 12 -7.261 -3.225 -7.156 1.00 21.41 A ATOM 182 HN SER 12 -8.044 -3.613 -6.711 1.00 2.42 A ATOM 183 CA SER 12 -7.459 -2.294 -8.261 1.00 32.33 A ATOM 184 HA SER 12 -6.851 -2.628 -9.088 1.00 73.43 A ATOM 185 CB SER 12 -8.927 -2.286 -8.692 1.00 41.24 A ATOM 186 HB1 SER 12 -9.466 -1.557 -8.106 1.00 14.02 A ATOM 187 HB2 SER 12 -9.352 -3.264 -8.531 1.00 65.44 A ATOM 188 OG SER 12 -9.052 -1.953 -10.064 1.00 51.20 A ATOM 189 HG SER 12 -9.668 -2.558 -10.485 1.00 42.13 A ATOM 190 C SER 12 -7.024 -0.886 -7.868 1.00 44.40 A ATOM 191 O SER 12 -6.985 -0.542 -6.686 1.00 53.11 A ATOM 192 N HIS 13 -6.697 -0.074 -8.868 1.00 54.44 A ATOM 193 HN HIS 13 -6.747 -0.405 -9.789 1.00 31.21 A ATOM 194 CA HIS 13 -6.265 1.299 -8.629 1.00 23.10 A ATOM 195 HA HIS 13 -5.361 1.264 -8.039 1.00 15.31 A ATOM 196 CB HIS 13 -5.966 2.001 -9.954 1.00 75.43 A ATOM 197 HB1 HIS 13 -6.889 2.127 -10.503 1.00 2.43 A ATOM 198 HB2 HIS 13 -5.290 1.389 -10.533 1.00 51.44 A ATOM 199 CG HIS 13 -5.339 3.350 -9.789 1.00 43.44 A ATOM 200 ND1 HIS 13 -3.998 3.589 -10.009 1.00 15.03 A ATOM 201 HD1 HIS 13 -3.337 2.922 -10.285 1.00 53.11 A ATOM 202 CD2 HIS 13 -5.877 4.538 -9.426 1.00 12.32 A ATOM 203 HD2 HIS 13 -6.912 4.725 -9.177 1.00 43.11 A ATOM 204 CE1 HIS 13 -3.738 4.865 -9.786 1.00 33.25 A ATOM 205 HE1 HIS 13 -2.773 5.339 -9.878 1.00 24.23 A ATOM 206 NE2 HIS 13 -4.861 5.463 -9.431 1.00 12.22 A ATOM 207 HE2 HIS 13 -4.970 6.428 -9.299 1.00 38.47 A ATOM 208 C HIS 13 -7.326 2.076 -7.856 1.00 75.42 A ATOM 209 O HIS 13 -7.078 2.556 -6.750 1.00 42.51 A ATOM 210 N THR 14 -8.512 2.195 -8.446 1.00 41.43 A ATOM 211 HN THR 14 -8.649 1.790 -9.328 1.00 2.21 A ATOM 212 CA THR 14 -9.611 2.915 -7.815 1.00 23.03 A ATOM 213 HA THR 14 -9.267 3.913 -7.585 1.00 53.31 A ATOM 214 CB THR 14 -10.825 3.026 -8.757 1.00 25.35 A ATOM 215 HB THR 14 -11.217 2.034 -8.932 1.00 4.01 A ATOM 216 OG1 THR 14 -10.424 3.597 -10.007 1.00 0.42 A ATOM 217 HG1 THR 14 -10.753 3.054 -10.727 1.00 44.02 A ATOM 218 CG2 THR 14 -11.919 3.877 -8.131 1.00 42.51 A ATOM 219 HG21 THR 14 -12.526 3.264 -7.483 1.00 34.24 A ATOM 220 HG22 THR 14 -12.537 4.299 -8.910 1.00 51.42 A ATOM 221 HG23 THR 14 -11.470 4.673 -7.556 1.00 53.51 A ATOM 222 C THR 14 -10.046 2.232 -6.523 1.00 22.01 A ATOM 223 O THR 14 -10.579 2.875 -5.620 1.00 54.12 A ATOM 224 N GLN 15 -9.811 0.926 -6.442 1.00 4.22 A ATOM 225 HN GLN 15 -9.381 0.470 -7.195 1.00 34.24 A ATOM 226 CA GLN 15 -10.178 0.157 -5.259 1.00 73.31 A ATOM 227 HA GLN 15 -11.232 0.311 -5.078 1.00 31.42 A ATOM 228 CB GLN 15 -9.927 -1.334 -5.496 1.00 54.40 A ATOM 229 HB1 GLN 15 -8.904 -1.468 -5.814 1.00 51.14 A ATOM 230 HB2 GLN 15 -10.587 -1.678 -6.278 1.00 55.21 A ATOM 231 CG GLN 15 -10.159 -2.193 -4.264 1.00 0.13 A ATOM 232 HG1 GLN 15 -11.049 -1.845 -3.760 1.00 43.41 A ATOM 233 HG2 GLN 15 -9.310 -2.091 -3.604 1.00 40.51 A ATOM 234 CD GLN 15 -10.335 -3.661 -4.600 1.00 50.43 A ATOM 235 OE1 GLN 15 -9.383 -4.340 -4.984 1.00 45.25 A ATOM 236 NE2 GLN 15 -11.558 -4.158 -4.457 1.00 63.54 A ATOM 237 HE21 GLN 15 -12.268 -3.558 -4.148 1.00 54.31 A ATOM 238 HE22 GLN 15 -11.700 -5.104 -4.669 1.00 12.23 A ATOM 239 C GLN 15 -9.396 0.628 -4.038 1.00 2.30 A ATOM 240 O GLN 15 -9.959 0.809 -2.958 1.00 53.24 A ATOM 241 N VAL 16 -8.093 0.826 -4.216 1.00 33.43 A ATOM 242 HN VAL 16 -7.703 0.664 -5.099 1.00 43.45 A ATOM 243 CA VAL 16 -7.233 1.277 -3.129 1.00 20.04 A ATOM 244 HA VAL 16 -7.334 0.578 -2.311 1.00 4.11 A ATOM 245 CB VAL 16 -5.755 1.308 -3.559 1.00 14.12 A ATOM 246 HB VAL 16 -5.655 1.997 -4.385 1.00 72.51 A ATOM 247 CG1 VAL 16 -4.877 1.803 -2.419 1.00 42.12 A ATOM 248 HG11 VAL 16 -3.936 1.273 -2.434 1.00 4.31 A ATOM 249 HG12 VAL 16 -4.697 2.862 -2.536 1.00 75.22 A ATOM 250 HG13 VAL 16 -5.375 1.624 -1.478 1.00 20.23 A ATOM 251 CG2 VAL 16 -5.307 -0.068 -4.028 1.00 34.33 A ATOM 252 HG21 VAL 16 -6.098 -0.783 -3.850 1.00 14.54 A ATOM 253 HG22 VAL 16 -5.085 -0.034 -5.084 1.00 64.35 A ATOM 254 HG23 VAL 16 -4.424 -0.365 -3.483 1.00 74.14 A ATOM 255 C VAL 16 -7.640 2.665 -2.646 1.00 22.31 A ATOM 256 O VAL 16 -7.604 2.952 -1.449 1.00 23.20 A ATOM 257 N ILE 17 -8.027 3.522 -3.585 1.00 21.44 A ATOM 258 HN ILE 17 -8.034 3.234 -4.521 1.00 71.21 A ATOM 259 CA ILE 17 -8.442 4.879 -3.255 1.00 13.24 A ATOM 260 HA ILE 17 -7.590 5.396 -2.839 1.00 4.54 A ATOM 261 CB ILE 17 -8.910 5.645 -4.506 1.00 74.23 A ATOM 262 HB ILE 17 -9.761 5.125 -4.922 1.00 12.32 A ATOM 263 CG1 ILE 17 -7.793 5.691 -5.550 1.00 63.12 A ATOM 264 HG11 ILE 17 -7.431 4.688 -5.724 1.00 31.42 A ATOM 265 HG12 ILE 17 -6.985 6.300 -5.177 1.00 2.11 A ATOM 266 CG2 ILE 17 -9.352 7.052 -4.132 1.00 63.13 A ATOM 267 HG21 ILE 17 -9.011 7.282 -3.134 1.00 10.43 A ATOM 268 HG22 ILE 17 -8.927 7.759 -4.829 1.00 22.02 A ATOM 269 HG23 ILE 17 -10.430 7.113 -4.168 1.00 41.24 A ATOM 270 CD1 ILE 17 -8.232 6.265 -6.880 1.00 22.45 A ATOM 271 HD11 ILE 17 -9.306 6.367 -6.891 1.00 41.02 A ATOM 272 HD12 ILE 17 -7.774 7.232 -7.023 1.00 14.33 A ATOM 273 HD13 ILE 17 -7.925 5.601 -7.676 1.00 41.30 A ATOM 274 C ILE 17 -9.567 4.875 -2.225 1.00 0.02 A ATOM 275 O ILE 17 -9.508 5.588 -1.224 1.00 55.40 A ATOM 276 N GLU 18 -10.590 4.065 -2.477 1.00 73.14 A ATOM 277 HN GLU 18 -10.581 3.521 -3.292 1.00 61.23 A ATOM 278 CA GLU 18 -11.729 3.967 -1.571 1.00 13.30 A ATOM 279 HA GLU 18 -12.252 4.911 -1.593 1.00 43.21 A ATOM 280 CB GLU 18 -12.680 2.860 -2.029 1.00 52.41 A ATOM 281 HB1 GLU 18 -13.526 2.829 -1.358 1.00 4.23 A ATOM 282 HB2 GLU 18 -12.162 1.914 -1.984 1.00 13.31 A ATOM 283 CG GLU 18 -13.203 3.053 -3.443 1.00 65.34 A ATOM 284 HG1 GLU 18 -13.464 2.088 -3.851 1.00 34.42 A ATOM 285 HG2 GLU 18 -12.421 3.495 -4.044 1.00 50.01 A ATOM 286 CD GLU 18 -14.422 3.951 -3.498 1.00 41.01 A ATOM 287 OE1 GLU 18 -15.262 3.754 -4.401 1.00 14.42 A ATOM 288 OE2 GLU 18 -14.537 4.850 -2.639 1.00 44.14 A ATOM 289 C GLU 18 -11.265 3.696 -0.143 1.00 24.52 A ATOM 290 O GLU 18 -11.796 4.262 0.813 1.00 11.02 A ATOM 291 N LEU 19 -10.271 2.825 -0.006 1.00 22.25 A ATOM 292 HN LEU 19 -9.889 2.406 -0.804 1.00 22.11 A ATOM 293 CA LEU 19 -9.735 2.476 1.306 1.00 45.34 A ATOM 294 HA LEU 19 -10.566 2.226 1.948 1.00 61.04 A ATOM 295 CB LEU 19 -8.808 1.264 1.194 1.00 53.02 A ATOM 296 HB1 LEU 19 -8.354 1.106 2.161 1.00 15.15 A ATOM 297 HB2 LEU 19 -8.041 1.500 0.472 1.00 33.52 A ATOM 298 CG LEU 19 -9.468 -0.047 0.765 1.00 22.22 A ATOM 299 HG LEU 19 -10.258 0.168 0.058 1.00 44.34 A ATOM 300 CD1 LEU 19 -8.457 -0.953 0.079 1.00 75.41 A ATOM 301 HD11 LEU 19 -7.741 -0.351 -0.459 1.00 20.41 A ATOM 302 HD12 LEU 19 -8.970 -1.606 -0.612 1.00 54.01 A ATOM 303 HD13 LEU 19 -7.945 -1.548 0.821 1.00 4.42 A ATOM 304 CD2 LEU 19 -10.088 -0.749 1.964 1.00 33.14 A ATOM 305 HD21 LEU 19 -11.008 -0.251 2.236 1.00 34.22 A ATOM 306 HD22 LEU 19 -9.401 -0.715 2.797 1.00 4.30 A ATOM 307 HD23 LEU 19 -10.297 -1.778 1.711 1.00 0.21 A ATOM 308 C LEU 19 -8.979 3.653 1.915 1.00 35.05 A ATOM 309 O LEU 19 -9.070 3.905 3.116 1.00 14.24 A ATOM 310 N GLU 20 -8.236 4.370 1.079 1.00 53.44 A ATOM 311 HN GLU 20 -8.204 4.119 0.132 1.00 53.51 A ATOM 312 CA GLU 20 -7.467 5.521 1.536 1.00 0.52 A ATOM 313 HA GLU 20 -6.752 5.173 2.265 1.00 43.22 A ATOM 314 CB GLU 20 -6.715 6.159 0.366 1.00 73.44 A ATOM 315 HB1 GLU 20 -6.285 7.093 0.696 1.00 73.31 A ATOM 316 HB2 GLU 20 -7.418 6.358 -0.431 1.00 64.33 A ATOM 317 CG GLU 20 -5.599 5.289 -0.186 1.00 64.44 A ATOM 318 HG1 GLU 20 -6.008 4.641 -0.948 1.00 51.24 A ATOM 319 HG2 GLU 20 -5.197 4.689 0.616 1.00 23.42 A ATOM 320 CD GLU 20 -4.473 6.101 -0.794 1.00 2.53 A ATOM 321 OE1 GLU 20 -4.009 7.057 -0.136 1.00 54.31 A ATOM 322 OE2 GLU 20 -4.053 5.782 -1.926 1.00 4.52 A ATOM 323 C GLU 20 -8.375 6.556 2.195 1.00 32.21 A ATOM 324 O GLU 20 -7.996 7.194 3.177 1.00 35.14 A ATOM 325 N ARG 21 -9.575 6.716 1.646 1.00 30.05 A ATOM 326 HN ARG 21 -9.819 6.178 0.864 1.00 12.14 A ATOM 327 CA ARG 21 -10.537 7.674 2.179 1.00 61.51 A ATOM 328 HA ARG 21 -10.078 8.651 2.159 1.00 32.30 A ATOM 329 CB ARG 21 -11.797 7.698 1.312 1.00 34.15 A ATOM 330 HB1 ARG 21 -12.566 8.250 1.832 1.00 31.43 A ATOM 331 HB2 ARG 21 -12.136 6.683 1.159 1.00 3.32 A ATOM 332 CG ARG 21 -11.588 8.340 -0.049 1.00 52.12 A ATOM 333 HG1 ARG 21 -11.049 7.652 -0.682 1.00 63.42 A ATOM 334 HG2 ARG 21 -11.012 9.245 0.075 1.00 53.44 A ATOM 335 CD ARG 21 -12.913 8.687 -0.711 1.00 3.32 A ATOM 336 HD1 ARG 21 -13.578 7.841 -0.620 1.00 4.44 A ATOM 337 HD2 ARG 21 -12.735 8.894 -1.756 1.00 23.05 A ATOM 338 NE ARG 21 -13.543 9.854 -0.097 1.00 63.15 A ATOM 339 HE ARG 21 -13.017 10.364 0.553 1.00 63.21 A ATOM 340 CZ ARG 21 -14.778 10.253 -0.375 1.00 43.52 A ATOM 341 NH1 ARG 21 -15.513 9.583 -1.251 1.00 55.42 A ATOM 342 HH11 ARG 21 -15.138 8.775 -1.704 1.00 23.23 A ATOM 343 HH12 ARG 21 -16.445 9.886 -1.458 1.00 34.43 A ATOM 344 NH2 ARG 21 -15.280 11.325 0.224 1.00 12.33 A ATOM 345 HH21 ARG 21 -14.729 11.833 0.885 1.00 24.14 A ATOM 346 HH22 ARG 21 -16.210 11.625 0.015 1.00 53.25 A ATOM 347 C ARG 21 -10.904 7.331 3.620 1.00 42.40 A ATOM 348 O ARG 21 -11.139 8.219 4.440 1.00 0.22 A ATOM 349 N LYS 22 -10.953 6.038 3.922 1.00 45.35 A ATOM 350 HN LYS 22 -10.756 5.377 3.224 1.00 4.33 A ATOM 351 CA LYS 22 -11.290 5.577 5.263 1.00 50.10 A ATOM 352 HA LYS 22 -12.009 6.266 5.680 1.00 42.24 A ATOM 353 CB LYS 22 -11.915 4.181 5.203 1.00 44.34 A ATOM 354 HB1 LYS 22 -11.123 3.446 5.205 1.00 32.41 A ATOM 355 HB2 LYS 22 -12.476 4.091 4.284 1.00 24.52 A ATOM 356 CG LYS 22 -12.848 3.882 6.363 1.00 35.32 A ATOM 357 HG1 LYS 22 -12.502 4.413 7.238 1.00 24.03 A ATOM 358 HG2 LYS 22 -12.837 2.819 6.557 1.00 4.52 A ATOM 359 CD LYS 22 -14.274 4.311 6.058 1.00 22.12 A ATOM 360 HD1 LYS 22 -14.528 3.994 5.057 1.00 75.21 A ATOM 361 HD2 LYS 22 -14.338 5.387 6.124 1.00 22.23 A ATOM 362 CE LYS 22 -15.262 3.698 7.039 1.00 53.25 A ATOM 363 HE1 LYS 22 -14.919 3.893 8.044 1.00 45.30 A ATOM 364 HE2 LYS 22 -15.300 2.633 6.872 1.00 23.41 A ATOM 365 NZ LYS 22 -16.629 4.264 6.874 1.00 2.30 A ATOM 366 HZ1 LYS 22 -17.174 3.690 6.200 1.00 50.04 A ATOM 367 HZ2 LYS 22 -16.571 5.238 6.515 1.00 54.50 A ATOM 368 HZ3 LYS 22 -17.125 4.271 7.788 1.00 51.43 A ATOM 369 C LYS 22 -10.055 5.555 6.157 1.00 24.54 A ATOM 370 O LYS 22 -10.145 5.787 7.363 1.00 24.01 A ATOM 371 N PHE 23 -8.902 5.275 5.559 1.00 24.40 A ATOM 372 HN PHE 23 -8.895 5.098 4.595 1.00 41.33 A ATOM 373 CA PHE 23 -7.648 5.222 6.302 1.00 43.52 A ATOM 374 HA PHE 23 -7.781 4.541 7.128 1.00 62.13 A ATOM 375 CB PHE 23 -6.521 4.705 5.406 1.00 44.44 A ATOM 376 HB1 PHE 23 -6.442 5.341 4.536 1.00 24.24 A ATOM 377 HB2 PHE 23 -6.753 3.699 5.091 1.00 11.20 A ATOM 378 CG PHE 23 -5.180 4.678 6.083 1.00 14.13 A ATOM 379 CD1 PHE 23 -4.377 5.806 6.102 1.00 64.24 A ATOM 380 HD1 PHE 23 -4.720 6.711 5.623 1.00 63.33 A ATOM 381 CD2 PHE 23 -4.726 3.525 6.702 1.00 2.05 A ATOM 382 HD2 PHE 23 -5.346 2.639 6.694 1.00 4.32 A ATOM 383 CE1 PHE 23 -3.142 5.783 6.724 1.00 43.01 A ATOM 384 HE1 PHE 23 -2.524 6.669 6.732 1.00 70.32 A ATOM 385 CE2 PHE 23 -3.494 3.496 7.327 1.00 41.42 A ATOM 386 HE2 PHE 23 -3.151 2.591 7.806 1.00 12.01 A ATOM 387 CZ PHE 23 -2.700 4.627 7.338 1.00 14.33 A ATOM 388 HZ PHE 23 -1.738 4.607 7.825 1.00 63.02 A ATOM 389 C PHE 23 -7.284 6.598 6.853 1.00 52.23 A ATOM 390 O PHE 23 -6.973 6.743 8.035 1.00 74.04 A ATOM 391 N SER 24 -7.326 7.606 5.987 1.00 73.23 A ATOM 392 HN SER 24 -7.582 7.427 5.058 1.00 74.34 A ATOM 393 CA SER 24 -6.997 8.970 6.384 1.00 34.43 A ATOM 394 HA SER 24 -5.947 8.999 6.629 1.00 50.23 A ATOM 395 CB SER 24 -7.268 9.939 5.232 1.00 72.32 A ATOM 396 HB1 SER 24 -6.863 10.910 5.479 1.00 74.51 A ATOM 397 HB2 SER 24 -8.334 10.022 5.077 1.00 31.42 A ATOM 398 OG SER 24 -6.666 9.485 4.032 1.00 75.22 A ATOM 399 HG SER 24 -7.328 9.055 3.484 1.00 1.52 A ATOM 400 C SER 24 -7.800 9.386 7.613 1.00 32.10 A ATOM 401 O SER 24 -7.340 10.186 8.428 1.00 2.01 A ATOM 402 N HIS 25 -9.005 8.837 7.739 1.00 13.03 A ATOM 403 HN HIS 25 -9.316 8.206 7.057 1.00 2.41 A ATOM 404 CA HIS 25 -9.873 9.150 8.869 1.00 43.14 A ATOM 405 HA HIS 25 -9.806 10.212 9.054 1.00 75.55 A ATOM 406 CB HIS 25 -11.322 8.792 8.539 1.00 31.03 A ATOM 407 HB1 HIS 25 -11.877 8.679 9.460 1.00 74.11 A ATOM 408 HB2 HIS 25 -11.341 7.858 7.997 1.00 41.45 A ATOM 409 CG HIS 25 -12.020 9.822 7.705 1.00 0.31 A ATOM 410 ND1 HIS 25 -11.816 11.178 7.858 1.00 74.43 A ATOM 411 HD1 HIS 25 -11.214 11.596 8.508 1.00 50.22 A ATOM 412 CD2 HIS 25 -12.921 9.689 6.704 1.00 14.21 A ATOM 413 HD2 HIS 25 -13.314 8.761 6.314 1.00 33.14 A ATOM 414 CE1 HIS 25 -12.563 11.833 6.988 1.00 44.51 A ATOM 415 HE1 HIS 25 -12.610 12.906 6.877 1.00 3.41 A ATOM 416 NE2 HIS 25 -13.244 10.953 6.275 1.00 5.34 A ATOM 417 HE2 HIS 25 -13.796 11.165 5.494 1.00 38.47 A ATOM 418 C HIS 25 -9.424 8.404 10.122 1.00 51.51 A ATOM 419 O HIS 25 -9.378 8.975 11.211 1.00 11.31 A ATOM 420 N GLN 26 -9.096 7.127 9.959 1.00 64.02 A ATOM 421 HN GLN 26 -9.153 6.729 9.066 1.00 60.12 A ATOM 422 CA GLN 26 -8.652 6.304 11.078 1.00 74.22 A ATOM 423 HA GLN 26 -8.055 6.924 11.729 1.00 70.21 A ATOM 424 CB GLN 26 -9.857 5.778 11.860 1.00 72.11 A ATOM 425 HB1 GLN 26 -10.482 6.613 12.140 1.00 1.21 A ATOM 426 HB2 GLN 26 -9.505 5.287 12.754 1.00 32.24 A ATOM 427 CG GLN 26 -10.707 4.790 11.077 1.00 64.21 A ATOM 428 HG1 GLN 26 -10.264 3.808 11.161 1.00 2.44 A ATOM 429 HG2 GLN 26 -10.720 5.089 10.039 1.00 13.24 A ATOM 430 CD GLN 26 -12.136 4.722 11.579 1.00 14.41 A ATOM 431 OE1 GLN 26 -13.075 5.059 10.859 1.00 55.24 A ATOM 432 NE2 GLN 26 -12.307 4.285 12.821 1.00 4.33 A ATOM 433 HE21 GLN 26 -11.511 4.036 13.337 1.00 30.53 A ATOM 434 HE22 GLN 26 -13.220 4.232 13.172 1.00 53.33 A ATOM 435 C GLN 26 -7.799 5.138 10.591 1.00 23.41 A ATOM 436 O GLN 26 -7.918 4.702 9.446 1.00 41.24 A ATOM 437 N LYS 27 -6.938 4.635 11.469 1.00 45.35 A ATOM 438 HN LYS 27 -6.889 5.025 12.367 1.00 4.21 A ATOM 439 CA LYS 27 -6.062 3.519 11.130 1.00 74.42 A ATOM 440 HA LYS 27 -5.799 3.608 10.087 1.00 73.33 A ATOM 441 CB LYS 27 -4.787 3.570 11.972 1.00 64.10 A ATOM 442 HB1 LYS 27 -4.142 2.753 11.678 1.00 1.21 A ATOM 443 HB2 LYS 27 -5.050 3.452 13.012 1.00 30.25 A ATOM 444 CG LYS 27 -4.009 4.867 11.821 1.00 32.41 A ATOM 445 HG1 LYS 27 -3.117 4.814 12.429 1.00 13.24 A ATOM 446 HG2 LYS 27 -4.627 5.687 12.155 1.00 31.33 A ATOM 447 CD LYS 27 -3.607 5.111 10.376 1.00 15.23 A ATOM 448 HD1 LYS 27 -4.497 5.131 9.763 1.00 72.42 A ATOM 449 HD2 LYS 27 -2.962 4.310 10.051 1.00 72.35 A ATOM 450 CE LYS 27 -2.869 6.432 10.219 1.00 73.31 A ATOM 451 HE1 LYS 27 -2.453 6.479 9.224 1.00 54.43 A ATOM 452 HE2 LYS 27 -2.072 6.472 10.945 1.00 10.20 A ATOM 453 NZ LYS 27 -3.771 7.599 10.423 1.00 10.03 A ATOM 454 HZ1 LYS 27 -3.710 8.244 9.610 1.00 71.05 A ATOM 455 HZ2 LYS 27 -3.496 8.117 11.282 1.00 34.54 A ATOM 456 HZ3 LYS 27 -4.755 7.278 10.525 1.00 62.55 A ATOM 457 C LYS 27 -6.773 2.186 11.346 1.00 52.43 A ATOM 458 O LYS 27 -6.820 1.344 10.449 1.00 51.33 A ATOM 459 N TYR 28 -7.326 2.003 12.539 1.00 30.25 A ATOM 460 HN TYR 28 -7.255 2.711 13.213 1.00 33.34 A ATOM 461 CA TYR 28 -8.034 0.772 12.873 1.00 42.40 A ATOM 462 HA TYR 28 -7.605 -0.026 12.286 1.00 73.45 A ATOM 463 CB TYR 28 -7.860 0.445 14.357 1.00 53.20 A ATOM 464 HB1 TYR 28 -8.639 -0.238 14.662 1.00 65.11 A ATOM 465 HB2 TYR 28 -7.941 1.355 14.931 1.00 15.03 A ATOM 466 CG TYR 28 -6.528 -0.192 14.684 1.00 61.40 A ATOM 467 CD1 TYR 28 -5.345 0.529 14.580 1.00 53.14 A ATOM 468 HD1 TYR 28 -5.387 1.560 14.259 1.00 44.11 A ATOM 469 CD2 TYR 28 -6.453 -1.517 15.098 1.00 1.45 A ATOM 470 HD2 TYR 28 -7.363 -2.092 15.186 1.00 55.30 A ATOM 471 CE1 TYR 28 -4.127 -0.050 14.877 1.00 43.24 A ATOM 472 HE1 TYR 28 -3.218 0.528 14.789 1.00 72.53 A ATOM 473 CE2 TYR 28 -5.239 -2.103 15.399 1.00 22.31 A ATOM 474 HE2 TYR 28 -5.201 -3.134 15.720 1.00 64.15 A ATOM 475 CZ TYR 28 -4.079 -1.366 15.286 1.00 23.01 A ATOM 476 OH TYR 28 -2.867 -1.946 15.584 1.00 1.13 A ATOM 477 HH TYR 28 -2.816 -2.112 16.529 1.00 64.15 A ATOM 478 C TYR 28 -9.517 0.889 12.537 1.00 15.34 A ATOM 479 O TYR 28 -10.099 1.973 12.610 1.00 72.33 A ATOM 480 N LEU 29 -10.124 -0.234 12.171 1.00 55.02 A ATOM 481 HN LEU 29 -9.610 -1.066 12.132 1.00 42.10 A ATOM 482 CA LEU 29 -11.541 -0.260 11.824 1.00 33.03 A ATOM 483 HA LEU 29 -11.910 0.754 11.863 1.00 54.03 A ATOM 484 CB LEU 29 -11.730 -0.806 10.408 1.00 51.12 A ATOM 485 HB1 LEU 29 -12.750 -1.152 10.321 1.00 32.41 A ATOM 486 HB2 LEU 29 -11.057 -1.640 10.283 1.00 71.14 A ATOM 487 CG LEU 29 -11.471 0.180 9.268 1.00 4.13 A ATOM 488 HG LEU 29 -10.453 0.538 9.335 1.00 32.31 A ATOM 489 CD1 LEU 29 -11.639 -0.505 7.921 1.00 54.30 A ATOM 490 HD11 LEU 29 -11.471 0.210 7.130 1.00 2.42 A ATOM 491 HD12 LEU 29 -12.642 -0.900 7.841 1.00 31.23 A ATOM 492 HD13 LEU 29 -10.927 -1.312 7.836 1.00 53.33 A ATOM 493 CD2 LEU 29 -12.400 1.380 9.379 1.00 31.21 A ATOM 494 HD21 LEU 29 -12.155 1.943 10.267 1.00 14.34 A ATOM 495 HD22 LEU 29 -13.424 1.038 9.440 1.00 33.14 A ATOM 496 HD23 LEU 29 -12.281 2.009 8.509 1.00 35.43 A ATOM 497 C LEU 29 -12.329 -1.108 12.818 1.00 53.05 A ATOM 498 O LEU 29 -11.759 -1.920 13.546 1.00 64.15 A ATOM 499 N SER 30 -13.645 -0.915 12.840 1.00 12.11 A ATOM 500 HN SER 30 -14.040 -0.253 12.235 1.00 13.13 A ATOM 501 CA SER 30 -14.512 -1.661 13.745 1.00 1.30 A ATOM 502 HA SER 30 -13.937 -1.907 14.626 1.00 11.30 A ATOM 503 CB SER 30 -15.713 -0.806 14.155 1.00 4.04 A ATOM 504 HB1 SER 30 -16.101 -1.165 15.097 1.00 25.33 A ATOM 505 HB2 SER 30 -16.479 -0.879 13.399 1.00 44.25 A ATOM 506 OG SER 30 -15.344 0.554 14.302 1.00 3.35 A ATOM 507 HG SER 30 -15.744 0.910 15.099 1.00 0.51 A ATOM 508 C SER 30 -14.992 -2.954 13.094 1.00 42.01 A ATOM 509 O SER 30 -14.722 -3.209 11.921 1.00 72.01 A ATOM 510 N ALA 31 -15.707 -3.767 13.865 1.00 44.11 A ATOM 511 HN ALA 31 -15.890 -3.508 14.792 1.00 32.31 A ATOM 512 CA ALA 31 -16.228 -5.033 13.364 1.00 54.20 A ATOM 513 HA ALA 31 -15.390 -5.635 13.044 1.00 33.41 A ATOM 514 CB ALA 31 -16.951 -5.782 14.473 1.00 15.51 A ATOM 515 HB1 ALA 31 -16.353 -6.622 14.790 1.00 65.43 A ATOM 516 HB2 ALA 31 -17.113 -5.118 15.310 1.00 71.04 A ATOM 517 HB3 ALA 31 -17.903 -6.136 14.106 1.00 10.21 A ATOM 518 C ALA 31 -17.159 -4.812 12.177 1.00 64.13 A ATOM 519 O ALA 31 -16.916 -5.291 11.069 1.00 64.31 A ATOM 520 N PRO 32 -18.251 -4.070 12.411 1.00 73.24 A ATOM 521 CA PRO 32 -19.241 -3.769 11.372 1.00 31.50 A ATOM 522 HA PRO 32 -19.601 -4.669 10.894 1.00 62.05 A ATOM 523 CB PRO 32 -20.384 -3.113 12.151 1.00 43.44 A ATOM 524 HB1 PRO 32 -21.120 -3.857 12.413 1.00 72.12 A ATOM 525 HB2 PRO 32 -20.841 -2.344 11.544 1.00 44.53 A ATOM 526 CG PRO 32 -19.735 -2.538 13.362 1.00 11.14 A ATOM 527 HG1 PRO 32 -20.446 -2.497 14.174 1.00 12.32 A ATOM 528 HG2 PRO 32 -19.357 -1.551 13.143 1.00 32.33 A ATOM 529 CD PRO 32 -18.604 -3.467 13.707 1.00 72.31 A ATOM 530 HD1 PRO 32 -18.936 -4.222 14.405 1.00 74.01 A ATOM 531 HD2 PRO 32 -17.771 -2.913 14.114 1.00 34.42 A ATOM 532 C PRO 32 -18.699 -2.814 10.314 1.00 73.40 A ATOM 533 O PRO 32 -19.169 -2.804 9.177 1.00 43.44 A ATOM 534 N GLU 33 -17.710 -2.015 10.697 1.00 42.43 A ATOM 535 HN GLU 33 -17.378 -2.070 11.617 1.00 35.32 A ATOM 536 CA GLU 33 -17.104 -1.056 9.779 1.00 11.14 A ATOM 537 HA GLU 33 -17.902 -0.551 9.255 1.00 50.12 A ATOM 538 CB GLU 33 -16.286 -0.021 10.554 1.00 35.34 A ATOM 539 HB1 GLU 33 -15.549 0.407 9.891 1.00 53.55 A ATOM 540 HB2 GLU 33 -15.777 -0.518 11.368 1.00 53.12 A ATOM 541 CG GLU 33 -17.122 1.108 11.132 1.00 41.23 A ATOM 542 HG1 GLU 33 -17.576 0.769 12.051 1.00 11.11 A ATOM 543 HG2 GLU 33 -17.896 1.365 10.423 1.00 11.12 A ATOM 544 CD GLU 33 -16.302 2.350 11.425 1.00 55.02 A ATOM 545 OE1 GLU 33 -15.058 2.248 11.444 1.00 62.22 A ATOM 546 OE2 GLU 33 -16.905 3.423 11.635 1.00 10.23 A ATOM 547 C GLU 33 -16.216 -1.764 8.760 1.00 2.33 A ATOM 548 O GLU 33 -16.311 -1.514 7.558 1.00 33.15 A ATOM 549 N ARG 34 -15.353 -2.647 9.250 1.00 60.13 A ATOM 550 HN ARG 34 -15.323 -2.803 10.217 1.00 40.41 A ATOM 551 CA ARG 34 -14.445 -3.390 8.383 1.00 52.12 A ATOM 552 HA ARG 34 -13.848 -2.675 7.838 1.00 23.22 A ATOM 553 CB ARG 34 -13.521 -4.279 9.217 1.00 15.05 A ATOM 554 HB1 ARG 34 -14.122 -4.853 9.907 1.00 14.15 A ATOM 555 HB2 ARG 34 -12.845 -3.650 9.778 1.00 71.13 A ATOM 556 CG ARG 34 -12.694 -5.246 8.387 1.00 24.33 A ATOM 557 HG1 ARG 34 -12.523 -4.814 7.412 1.00 32.54 A ATOM 558 HG2 ARG 34 -13.238 -6.173 8.283 1.00 63.44 A ATOM 559 CD ARG 34 -11.352 -5.535 9.042 1.00 30.52 A ATOM 560 HD1 ARG 34 -11.281 -4.962 9.954 1.00 2.30 A ATOM 561 HD2 ARG 34 -10.566 -5.236 8.366 1.00 23.45 A ATOM 562 NE ARG 34 -11.192 -6.952 9.359 1.00 64.10 A ATOM 563 HE ARG 34 -10.628 -7.489 8.765 1.00 62.14 A ATOM 564 CZ ARG 34 -11.767 -7.542 10.402 1.00 42.52 A ATOM 565 NH1 ARG 34 -12.534 -6.840 11.224 1.00 73.33 A ATOM 566 HH11 ARG 34 -12.683 -5.866 11.058 1.00 2.52 A ATOM 567 HH12 ARG 34 -12.966 -7.287 12.008 1.00 55.24 A ATOM 568 NH2 ARG 34 -11.572 -8.835 10.624 1.00 71.32 A ATOM 569 HH21 ARG 34 -10.994 -9.367 10.006 1.00 24.32 A ATOM 570 HH22 ARG 34 -12.005 -9.278 11.409 1.00 54.12 A ATOM 571 C ARG 34 -15.223 -4.242 7.385 1.00 74.24 A ATOM 572 O ARG 34 -14.866 -4.323 6.210 1.00 24.33 A ATOM 573 N ALA 35 -16.290 -4.876 7.861 1.00 51.03 A ATOM 574 HN ALA 35 -16.525 -4.772 8.806 1.00 14.11 A ATOM 575 CA ALA 35 -17.120 -5.721 7.010 1.00 4.53 A ATOM 576 HA ALA 35 -16.469 -6.389 6.466 1.00 43.43 A ATOM 577 CB ALA 35 -18.058 -6.565 7.860 1.00 53.34 A ATOM 578 HB1 ALA 35 -17.802 -6.447 8.903 1.00 54.14 A ATOM 579 HB2 ALA 35 -19.076 -6.242 7.700 1.00 72.25 A ATOM 580 HB3 ALA 35 -17.961 -7.603 7.580 1.00 43.12 A ATOM 581 C ALA 35 -17.915 -4.884 6.013 1.00 2.21 A ATOM 582 O ALA 35 -17.979 -5.209 4.827 1.00 15.10 A ATOM 583 N HIS 36 -18.518 -3.805 6.501 1.00 21.13 A ATOM 584 HN HIS 36 -18.430 -3.598 7.455 1.00 74.50 A ATOM 585 CA HIS 36 -19.309 -2.921 5.652 1.00 24.30 A ATOM 586 HA HIS 36 -20.055 -3.521 5.154 1.00 53.11 A ATOM 587 CB HIS 36 -20.009 -1.857 6.498 1.00 34.54 A ATOM 588 HB1 HIS 36 -19.268 -1.319 7.072 1.00 40.50 A ATOM 589 HB2 HIS 36 -20.698 -2.341 7.174 1.00 32.12 A ATOM 590 CG HIS 36 -20.780 -0.861 5.690 1.00 53.14 A ATOM 591 ND1 HIS 36 -21.989 -1.150 5.093 1.00 35.44 A ATOM 592 HD1 HIS 36 -22.457 -2.011 5.133 1.00 25.01 A ATOM 593 CD2 HIS 36 -20.510 0.429 5.381 1.00 24.12 A ATOM 594 HD2 HIS 36 -19.638 0.992 5.684 1.00 63.11 A ATOM 595 CE1 HIS 36 -22.428 -0.082 4.452 1.00 73.23 A ATOM 596 HE1 HIS 36 -23.350 -0.015 3.892 1.00 14.44 A ATOM 597 NE2 HIS 36 -21.549 0.890 4.611 1.00 2.21 A ATOM 598 HE2 HIS 36 -21.674 1.817 4.319 1.00 38.47 A ATOM 599 C HIS 36 -18.431 -2.253 4.597 1.00 35.44 A ATOM 600 O HIS 36 -18.905 -1.897 3.517 1.00 1.31 A ATOM 601 N LEU 37 -17.153 -2.086 4.918 1.00 71.43 A ATOM 602 HN LEU 37 -16.835 -2.391 5.793 1.00 53.12 A ATOM 603 CA LEU 37 -16.210 -1.460 3.998 1.00 35.40 A ATOM 604 HA LEU 37 -16.720 -0.647 3.503 1.00 31.03 A ATOM 605 CB LEU 37 -15.012 -0.903 4.767 1.00 24.05 A ATOM 606 HB1 LEU 37 -14.536 -1.728 5.279 1.00 3.40 A ATOM 607 HB2 LEU 37 -15.384 -0.198 5.495 1.00 72.14 A ATOM 608 CG LEU 37 -13.948 -0.193 3.930 1.00 65.13 A ATOM 609 HG LEU 37 -13.659 -0.833 3.107 1.00 24.42 A ATOM 610 CD1 LEU 37 -14.500 1.098 3.347 1.00 42.11 A ATOM 611 HD11 LEU 37 -15.314 0.870 2.675 1.00 40.13 A ATOM 612 HD12 LEU 37 -13.720 1.612 2.806 1.00 11.53 A ATOM 613 HD13 LEU 37 -14.860 1.729 4.147 1.00 50.02 A ATOM 614 CD2 LEU 37 -12.707 0.086 4.767 1.00 21.21 A ATOM 615 HD21 LEU 37 -13.005 0.355 5.770 1.00 43.51 A ATOM 616 HD22 LEU 37 -12.150 0.900 4.326 1.00 60.44 A ATOM 617 HD23 LEU 37 -12.088 -0.799 4.800 1.00 53.41 A ATOM 618 C LEU 37 -15.735 -2.456 2.945 1.00 41.34 A ATOM 619 O LEU 37 -15.672 -2.136 1.758 1.00 75.53 A ATOM 620 N ALA 38 -15.402 -3.664 3.387 1.00 4.32 A ATOM 621 HN ALA 38 -15.472 -3.858 4.345 1.00 61.01 A ATOM 622 CA ALA 38 -14.936 -4.707 2.482 1.00 21.22 A ATOM 623 HA ALA 38 -14.050 -4.343 1.980 1.00 21.23 A ATOM 624 CB ALA 38 -14.555 -5.954 3.266 1.00 33.41 A ATOM 625 HB1 ALA 38 -13.834 -6.527 2.701 1.00 33.52 A ATOM 626 HB2 ALA 38 -14.123 -5.666 4.213 1.00 33.43 A ATOM 627 HB3 ALA 38 -15.436 -6.554 3.438 1.00 4.13 A ATOM 628 C ALA 38 -15.994 -5.040 1.437 1.00 40.13 A ATOM 629 O ALA 38 -15.728 -5.009 0.235 1.00 23.22 A ATOM 630 N LYS 39 -17.198 -5.359 1.901 1.00 14.30 A ATOM 631 HN LYS 39 -17.350 -5.366 2.870 1.00 53.42 A ATOM 632 CA LYS 39 -18.299 -5.697 1.007 1.00 51.04 A ATOM 633 HA LYS 39 -18.030 -6.597 0.475 1.00 42.34 A ATOM 634 CB LYS 39 -19.574 -5.956 1.811 1.00 73.55 A ATOM 635 HB1 LYS 39 -19.336 -6.606 2.641 1.00 54.12 A ATOM 636 HB2 LYS 39 -20.293 -6.450 1.173 1.00 22.21 A ATOM 637 CG LYS 39 -20.213 -4.694 2.361 1.00 15.54 A ATOM 638 HG1 LYS 39 -20.451 -4.033 1.539 1.00 34.42 A ATOM 639 HG2 LYS 39 -19.515 -4.207 3.025 1.00 14.11 A ATOM 640 CD LYS 39 -21.488 -5.003 3.130 1.00 10.13 A ATOM 641 HD1 LYS 39 -21.893 -4.081 3.523 1.00 22.22 A ATOM 642 HD2 LYS 39 -21.253 -5.671 3.946 1.00 50.15 A ATOM 643 CE LYS 39 -22.530 -5.662 2.240 1.00 33.32 A ATOM 644 HE1 LYS 39 -22.354 -5.361 1.218 1.00 11.11 A ATOM 645 HE2 LYS 39 -23.509 -5.331 2.549 1.00 61.20 A ATOM 646 NZ LYS 39 -22.472 -7.148 2.324 1.00 3.14 A ATOM 647 HZ1 LYS 39 -23.428 -7.537 2.442 1.00 12.25 A ATOM 648 HZ2 LYS 39 -21.890 -7.437 3.137 1.00 72.15 A ATOM 649 HZ3 LYS 39 -22.055 -7.539 1.456 1.00 63.20 A ATOM 650 C LYS 39 -18.540 -4.581 -0.005 1.00 20.12 A ATOM 651 O LYS 39 -18.948 -4.835 -1.137 1.00 73.25 A ATOM 652 N ASN 40 -18.286 -3.345 0.412 1.00 22.20 A ATOM 653 HN ASN 40 -17.963 -3.206 1.327 1.00 41.13 A ATOM 654 CA ASN 40 -18.475 -2.191 -0.459 1.00 11.44 A ATOM 655 HA ASN 40 -19.475 -2.241 -0.864 1.00 25.35 A ATOM 656 CB ASN 40 -18.326 -0.894 0.340 1.00 41.22 A ATOM 657 HB1 ASN 40 -17.936 -0.122 -0.306 1.00 72.44 A ATOM 658 HB2 ASN 40 -17.637 -1.058 1.156 1.00 52.51 A ATOM 659 CG ASN 40 -19.646 -0.416 0.916 1.00 43.30 A ATOM 660 OD1 ASN 40 -20.714 -0.872 0.510 1.00 2.04 A ATOM 661 ND2 ASN 40 -19.574 0.509 1.867 1.00 74.51 A ATOM 662 HD21 ASN 40 -18.689 0.826 2.140 1.00 71.12 A ATOM 663 HD22 ASN 40 -20.412 0.835 2.257 1.00 22.03 A ATOM 664 C ASN 40 -17.475 -2.208 -1.611 1.00 34.40 A ATOM 665 O ASN 40 -17.738 -1.664 -2.684 1.00 52.30 A ATOM 666 N LEU 41 -16.327 -2.838 -1.382 1.00 35.40 A ATOM 667 HN LEU 41 -16.175 -3.253 -0.508 1.00 34.04 A ATOM 668 CA LEU 41 -15.287 -2.929 -2.401 1.00 14.40 A ATOM 669 HA LEU 41 -15.585 -2.307 -3.233 1.00 2.13 A ATOM 670 CB LEU 41 -13.957 -2.418 -1.846 1.00 44.31 A ATOM 671 HB1 LEU 41 -13.297 -2.240 -2.683 1.00 44.23 A ATOM 672 HB2 LEU 41 -13.540 -3.192 -1.221 1.00 32.25 A ATOM 673 CG LEU 41 -14.024 -1.133 -1.019 1.00 61.21 A ATOM 674 HG LEU 41 -14.763 -1.252 -0.240 1.00 31.23 A ATOM 675 CD1 LEU 41 -12.683 -0.856 -0.355 1.00 33.22 A ATOM 676 HD11 LEU 41 -12.012 -0.408 -1.071 1.00 51.34 A ATOM 677 HD12 LEU 41 -12.261 -1.783 0.003 1.00 24.32 A ATOM 678 HD13 LEU 41 -12.828 -0.182 0.477 1.00 44.33 A ATOM 679 CD2 LEU 41 -14.442 0.042 -1.891 1.00 62.44 A ATOM 680 HD21 LEU 41 -13.785 0.105 -2.747 1.00 73.35 A ATOM 681 HD22 LEU 41 -14.375 0.956 -1.319 1.00 63.15 A ATOM 682 HD23 LEU 41 -15.457 -0.102 -2.226 1.00 34.03 A ATOM 683 C LEU 41 -15.129 -4.364 -2.892 1.00 52.00 A ATOM 684 O LEU 41 -14.079 -4.742 -3.413 1.00 14.51 A ATOM 685 N LYS 42 -16.180 -5.160 -2.725 1.00 24.25 A ATOM 686 HN LYS 42 -16.989 -4.801 -2.303 1.00 22.35 A ATOM 687 CA LYS 42 -16.161 -6.554 -3.153 1.00 52.34 A ATOM 688 HA LYS 42 -17.030 -7.041 -2.739 1.00 4.34 A ATOM 689 CB LYS 42 -16.223 -6.640 -4.680 1.00 44.21 A ATOM 690 HB1 LYS 42 -16.442 -7.659 -4.963 1.00 32.25 A ATOM 691 HB2 LYS 42 -15.259 -6.364 -5.083 1.00 73.33 A ATOM 692 CG LYS 42 -17.274 -5.736 -5.298 1.00 41.34 A ATOM 693 HG1 LYS 42 -17.827 -5.249 -4.507 1.00 44.35 A ATOM 694 HG2 LYS 42 -17.948 -6.336 -5.893 1.00 44.42 A ATOM 695 CD LYS 42 -16.646 -4.675 -6.187 1.00 24.12 A ATOM 696 HD1 LYS 42 -15.652 -4.994 -6.465 1.00 1.13 A ATOM 697 HD2 LYS 42 -16.588 -3.747 -5.639 1.00 3.54 A ATOM 698 CE LYS 42 -17.463 -4.450 -7.449 1.00 54.43 A ATOM 699 HE1 LYS 42 -18.497 -4.681 -7.239 1.00 31.22 A ATOM 700 HE2 LYS 42 -17.098 -5.108 -8.222 1.00 35.21 A ATOM 701 NZ LYS 42 -17.369 -3.042 -7.927 1.00 74.31 A ATOM 702 HZ1 LYS 42 -17.260 -3.023 -8.961 1.00 64.02 A ATOM 703 HZ2 LYS 42 -16.549 -2.572 -7.494 1.00 72.12 A ATOM 704 HZ3 LYS 42 -18.232 -2.519 -7.671 1.00 22.33 A ATOM 705 C LYS 42 -14.909 -7.262 -2.644 1.00 34.43 A ATOM 706 O LYS 42 -14.382 -8.162 -3.300 1.00 34.15 A ATOM 707 N LEU 43 -14.440 -6.853 -1.471 1.00 4.15 A ATOM 708 HN LEU 43 -14.902 -6.132 -0.995 1.00 32.20 A ATOM 709 CA LEU 43 -13.252 -7.450 -0.872 1.00 20.14 A ATOM 710 HA LEU 43 -12.778 -8.069 -1.620 1.00 13.21 A ATOM 711 CB LEU 43 -12.273 -6.358 -0.436 1.00 62.53 A ATOM 712 HB1 LEU 43 -11.585 -6.796 0.275 1.00 54.41 A ATOM 713 HB2 LEU 43 -12.840 -5.579 0.047 1.00 3.33 A ATOM 714 CG LEU 43 -11.447 -5.714 -1.551 1.00 14.04 A ATOM 715 HG LEU 43 -12.116 -5.293 -2.288 1.00 43.31 A ATOM 716 CD1 LEU 43 -10.590 -4.586 -0.996 1.00 70.13 A ATOM 717 HD11 LEU 43 -11.098 -4.126 -0.161 1.00 63.44 A ATOM 718 HD12 LEU 43 -10.424 -3.848 -1.767 1.00 63.32 A ATOM 719 HD13 LEU 43 -9.642 -4.983 -0.668 1.00 24.21 A ATOM 720 CD2 LEU 43 -10.578 -6.755 -2.241 1.00 71.35 A ATOM 721 HD21 LEU 43 -11.145 -7.230 -3.029 1.00 35.41 A ATOM 722 HD22 LEU 43 -10.268 -7.499 -1.522 1.00 65.53 A ATOM 723 HD23 LEU 43 -9.707 -6.276 -2.663 1.00 14.40 A ATOM 724 C LEU 43 -13.623 -8.322 0.324 1.00 42.34 A ATOM 725 O LEU 43 -14.791 -8.410 0.703 1.00 52.32 A ATOM 726 N THR 44 -12.621 -8.964 0.916 1.00 44.21 A ATOM 727 HN THR 44 -11.712 -8.854 0.567 1.00 14.54 A ATOM 728 CA THR 44 -12.841 -9.828 2.069 1.00 55.42 A ATOM 729 HA THR 44 -13.909 -9.941 2.201 1.00 63.41 A ATOM 730 CB THR 44 -12.229 -11.224 1.850 1.00 34.10 A ATOM 731 HB THR 44 -12.601 -11.888 2.618 1.00 40.41 A ATOM 732 OG1 THR 44 -10.802 -11.154 1.944 1.00 13.30 A ATOM 733 HG1 THR 44 -10.444 -12.040 2.032 1.00 12.14 A ATOM 734 CG2 THR 44 -12.627 -11.782 0.492 1.00 73.13 A ATOM 735 HG21 THR 44 -13.496 -11.256 0.126 1.00 30.15 A ATOM 736 HG22 THR 44 -12.855 -12.833 0.587 1.00 23.22 A ATOM 737 HG23 THR 44 -11.810 -11.652 -0.203 1.00 20.53 A ATOM 738 C THR 44 -12.249 -9.218 3.334 1.00 22.01 A ATOM 739 O THR 44 -11.282 -8.460 3.274 1.00 43.42 A ATOM 740 N GLU 45 -12.835 -9.555 4.479 1.00 62.33 A ATOM 741 HN GLU 45 -13.602 -10.164 4.462 1.00 73.41 A ATOM 742 CA GLU 45 -12.363 -9.040 5.759 1.00 52.14 A ATOM 743 HA GLU 45 -12.555 -7.978 5.779 1.00 43.53 A ATOM 744 CB GLU 45 -13.121 -9.703 6.911 1.00 42.40 A ATOM 745 HB1 GLU 45 -12.540 -9.598 7.815 1.00 70.11 A ATOM 746 HB2 GLU 45 -13.241 -10.753 6.690 1.00 34.14 A ATOM 747 CG GLU 45 -14.497 -9.106 7.158 1.00 73.22 A ATOM 748 HG1 GLU 45 -15.006 -9.002 6.210 1.00 3.15 A ATOM 749 HG2 GLU 45 -14.378 -8.133 7.610 1.00 60.02 A ATOM 750 CD GLU 45 -15.348 -9.964 8.073 1.00 12.33 A ATOM 751 OE1 GLU 45 -15.720 -9.482 9.164 1.00 45.40 A ATOM 752 OE2 GLU 45 -15.646 -11.118 7.698 1.00 3.43 A ATOM 753 C GLU 45 -10.864 -9.274 5.920 1.00 2.40 A ATOM 754 O GLU 45 -10.171 -8.501 6.583 1.00 64.11 A ATOM 755 N THR 46 -10.369 -10.346 5.309 1.00 2.24 A ATOM 756 HN THR 46 -10.973 -10.923 4.796 1.00 23.10 A ATOM 757 CA THR 46 -8.953 -10.684 5.386 1.00 51.50 A ATOM 758 HA THR 46 -8.639 -10.571 6.413 1.00 15.24 A ATOM 759 CB THR 46 -8.700 -12.142 4.960 1.00 44.11 A ATOM 760 HB THR 46 -8.942 -12.242 3.912 1.00 72.05 A ATOM 761 OG1 THR 46 -9.534 -13.026 5.719 1.00 44.25 A ATOM 762 HG1 THR 46 -9.274 -12.995 6.643 1.00 62.02 A ATOM 763 CG2 THR 46 -7.239 -12.518 5.159 1.00 51.31 A ATOM 764 HG21 THR 46 -6.669 -11.633 5.402 1.00 54.14 A ATOM 765 HG22 THR 46 -6.854 -12.957 4.251 1.00 55.32 A ATOM 766 HG23 THR 46 -7.159 -13.230 5.966 1.00 61.00 A ATOM 767 C THR 46 -8.119 -9.757 4.509 1.00 63.43 A ATOM 768 O THR 46 -7.044 -9.311 4.909 1.00 11.00 A ATOM 769 N GLN 47 -8.621 -9.473 3.312 1.00 41.45 A ATOM 770 HN GLN 47 -9.482 -9.859 3.050 1.00 21.20 A ATOM 771 CA GLN 47 -7.921 -8.599 2.378 1.00 52.31 A ATOM 772 HA GLN 47 -6.919 -8.982 2.253 1.00 71.53 A ATOM 773 CB GLN 47 -8.625 -8.597 1.021 1.00 74.45 A ATOM 774 HB1 GLN 47 -8.407 -7.668 0.516 1.00 50.12 A ATOM 775 HB2 GLN 47 -9.691 -8.669 1.182 1.00 43.35 A ATOM 776 CG GLN 47 -8.203 -9.742 0.114 1.00 13.00 A ATOM 777 HG1 GLN 47 -8.799 -10.610 0.350 1.00 32.53 A ATOM 778 HG2 GLN 47 -7.162 -9.962 0.296 1.00 63.24 A ATOM 779 CD GLN 47 -8.378 -9.418 -1.356 1.00 53.44 A ATOM 780 OE1 GLN 47 -9.091 -10.117 -2.077 1.00 64.03 A ATOM 781 NE2 GLN 47 -7.729 -8.352 -1.810 1.00 3.13 A ATOM 782 HE21 GLN 47 -7.178 -7.842 -1.178 1.00 34.52 A ATOM 783 HE22 GLN 47 -7.825 -8.120 -2.756 1.00 42.40 A ATOM 784 C GLN 47 -7.837 -7.176 2.922 1.00 33.40 A ATOM 785 O GLN 47 -6.785 -6.539 2.863 1.00 63.04 A ATOM 786 N VAL 48 -8.951 -6.684 3.452 1.00 34.01 A ATOM 787 HN VAL 48 -9.758 -7.240 3.471 1.00 61.43 A ATOM 788 CA VAL 48 -9.005 -5.337 4.008 1.00 61.04 A ATOM 789 HA VAL 48 -8.759 -4.641 3.219 1.00 55.44 A ATOM 790 CB VAL 48 -10.413 -5.000 4.531 1.00 61.14 A ATOM 791 HB VAL 48 -10.645 -5.675 5.341 1.00 30.21 A ATOM 792 CG1 VAL 48 -10.457 -3.578 5.069 1.00 40.04 A ATOM 793 HG11 VAL 48 -9.686 -2.990 4.593 1.00 10.40 A ATOM 794 HG12 VAL 48 -11.424 -3.144 4.860 1.00 43.52 A ATOM 795 HG13 VAL 48 -10.291 -3.592 6.136 1.00 51.12 A ATOM 796 CG2 VAL 48 -11.450 -5.196 3.434 1.00 62.40 A ATOM 797 HG21 VAL 48 -10.999 -4.989 2.474 1.00 35.12 A ATOM 798 HG22 VAL 48 -11.805 -6.217 3.452 1.00 0.30 A ATOM 799 HG23 VAL 48 -12.278 -4.524 3.597 1.00 61.22 A ATOM 800 C VAL 48 -7.999 -5.171 5.142 1.00 34.04 A ATOM 801 O VAL 48 -7.293 -4.165 5.219 1.00 31.55 A ATOM 802 N LYS 49 -7.941 -6.165 6.022 1.00 1.34 A ATOM 803 HN LYS 49 -8.529 -6.941 5.908 1.00 44.44 A ATOM 804 CA LYS 49 -7.021 -6.131 7.154 1.00 64.53 A ATOM 805 HA LYS 49 -7.275 -5.278 7.763 1.00 10.40 A ATOM 806 CB LYS 49 -7.165 -7.403 7.993 1.00 74.25 A ATOM 807 HB1 LYS 49 -6.988 -8.260 7.359 1.00 75.22 A ATOM 808 HB2 LYS 49 -8.174 -7.454 8.377 1.00 44.23 A ATOM 809 CG LYS 49 -6.204 -7.471 9.166 1.00 4.41 A ATOM 810 HG1 LYS 49 -6.223 -6.525 9.690 1.00 73.32 A ATOM 811 HG2 LYS 49 -5.207 -7.658 8.793 1.00 15.25 A ATOM 812 CD LYS 49 -6.582 -8.579 10.134 1.00 11.35 A ATOM 813 HD1 LYS 49 -7.639 -8.510 10.351 1.00 1.13 A ATOM 814 HD2 LYS 49 -6.017 -8.457 11.047 1.00 53.43 A ATOM 815 CE LYS 49 -6.285 -9.952 9.553 1.00 21.52 A ATOM 816 HE1 LYS 49 -5.223 -10.033 9.380 1.00 61.10 A ATOM 817 HE2 LYS 49 -6.811 -10.054 8.616 1.00 3.13 A ATOM 818 NZ LYS 49 -6.712 -11.046 10.469 1.00 31.43 A ATOM 819 HZ1 LYS 49 -7.305 -10.662 11.232 1.00 72.21 A ATOM 820 HZ2 LYS 49 -5.878 -11.504 10.892 1.00 52.25 A ATOM 821 HZ3 LYS 49 -7.258 -11.760 9.945 1.00 2.41 A ATOM 822 C LYS 49 -5.579 -5.985 6.679 1.00 45.42 A ATOM 823 O LYS 49 -4.881 -5.047 7.065 1.00 4.52 A ATOM 824 N ILE 50 -5.139 -6.916 5.839 1.00 53.33 A ATOM 825 HN ILE 50 -5.744 -7.638 5.568 1.00 60.23 A ATOM 826 CA ILE 50 -3.781 -6.887 5.310 1.00 74.33 A ATOM 827 HA ILE 50 -3.101 -7.067 6.130 1.00 42.44 A ATOM 828 CB ILE 50 -3.566 -7.986 4.252 1.00 52.20 A ATOM 829 HB ILE 50 -4.252 -7.809 3.437 1.00 22.33 A ATOM 830 CG1 ILE 50 -3.848 -9.365 4.853 1.00 53.33 A ATOM 831 HG11 ILE 50 -4.729 -9.305 5.475 1.00 43.02 A ATOM 832 HG12 ILE 50 -3.006 -9.666 5.457 1.00 41.34 A ATOM 833 CG2 ILE 50 -2.150 -7.921 3.701 1.00 5.33 A ATOM 834 HG21 ILE 50 -2.178 -7.599 2.671 1.00 54.13 A ATOM 835 HG22 ILE 50 -1.572 -7.217 4.281 1.00 64.42 A ATOM 836 HG23 ILE 50 -1.694 -8.898 3.761 1.00 55.22 A ATOM 837 CD1 ILE 50 -4.082 -10.440 3.815 1.00 41.44 A ATOM 838 HD11 ILE 50 -3.256 -10.456 3.119 1.00 5.14 A ATOM 839 HD12 ILE 50 -4.163 -11.400 4.301 1.00 11.45 A ATOM 840 HD13 ILE 50 -4.997 -10.229 3.279 1.00 21.34 A ATOM 841 C ILE 50 -3.462 -5.531 4.690 1.00 20.14 A ATOM 842 O ILE 50 -2.325 -5.063 4.751 1.00 60.23 A ATOM 843 N TRP 51 -4.471 -4.905 4.097 1.00 4.32 A ATOM 844 HN TRP 51 -5.354 -5.329 4.082 1.00 72.03 A ATOM 845 CA TRP 51 -4.297 -3.600 3.468 1.00 22.41 A ATOM 846 HA TRP 51 -3.476 -3.677 2.770 1.00 10.21 A ATOM 847 CB TRP 51 -5.563 -3.206 2.705 1.00 23.44 A ATOM 848 HB1 TRP 51 -6.361 -3.033 3.413 1.00 62.22 A ATOM 849 HB2 TRP 51 -5.842 -4.012 2.043 1.00 32.14 A ATOM 850 CG TRP 51 -5.398 -1.966 1.880 1.00 33.04 A ATOM 851 CD1 TRP 51 -4.994 -1.896 0.578 1.00 74.03 A ATOM 852 HD1 TRP 51 -4.738 -2.753 -0.027 1.00 33.14 A ATOM 853 CD2 TRP 51 -5.630 -0.618 2.303 1.00 20.24 A ATOM 854 NE1 TRP 51 -4.962 -0.586 0.165 1.00 1.34 A ATOM 855 HE1 TRP 51 -4.704 -0.277 -0.729 1.00 61.21 A ATOM 856 CE2 TRP 51 -5.348 0.218 1.205 1.00 21.32 A ATOM 857 CE3 TRP 51 -6.052 -0.036 3.502 1.00 70.10 A ATOM 858 HE3 TRP 51 -6.277 -0.641 4.368 1.00 73.25 A ATOM 859 CZ2 TRP 51 -5.473 1.603 1.273 1.00 63.31 A ATOM 860 HZ2 TRP 51 -5.256 2.238 0.427 1.00 44.32 A ATOM 861 CZ3 TRP 51 -6.174 1.339 3.568 1.00 71.33 A ATOM 862 HZ3 TRP 51 -6.498 1.807 4.486 1.00 63.41 A ATOM 863 CH2 TRP 51 -5.887 2.146 2.459 1.00 63.32 A ATOM 864 HH2 TRP 51 -5.996 3.215 2.555 1.00 35.25 A ATOM 865 C TRP 51 -3.962 -2.535 4.506 1.00 22.45 A ATOM 866 O TRP 51 -2.904 -1.908 4.448 1.00 70.14 A ATOM 867 N PHE 52 -4.869 -2.336 5.457 1.00 22.01 A ATOM 868 HN PHE 52 -5.694 -2.867 5.451 1.00 64.43 A ATOM 869 CA PHE 52 -4.669 -1.346 6.509 1.00 50.44 A ATOM 870 HA PHE 52 -4.636 -0.372 6.044 1.00 24.41 A ATOM 871 CB PHE 52 -5.832 -1.384 7.502 1.00 21.13 A ATOM 872 HB1 PHE 52 -5.483 -1.048 8.467 1.00 63.21 A ATOM 873 HB2 PHE 52 -6.191 -2.399 7.587 1.00 54.21 A ATOM 874 CG PHE 52 -6.992 -0.518 7.102 1.00 44.44 A ATOM 875 CD1 PHE 52 -7.997 -1.015 6.288 1.00 64.11 A ATOM 876 HD1 PHE 52 -7.941 -2.038 5.941 1.00 4.34 A ATOM 877 CD2 PHE 52 -7.076 0.795 7.538 1.00 33.43 A ATOM 878 HD2 PHE 52 -6.299 1.194 8.173 1.00 74.44 A ATOM 879 CE1 PHE 52 -9.066 -0.221 5.918 1.00 53.44 A ATOM 880 HE1 PHE 52 -9.841 -0.621 5.282 1.00 34.14 A ATOM 881 CE2 PHE 52 -8.143 1.594 7.172 1.00 63.43 A ATOM 882 HE2 PHE 52 -8.197 2.615 7.518 1.00 21.12 A ATOM 883 CZ PHE 52 -9.139 1.086 6.359 1.00 22.14 A ATOM 884 HZ PHE 52 -9.973 1.708 6.072 1.00 51.01 A ATOM 885 C PHE 52 -3.352 -1.587 7.240 1.00 20.33 A ATOM 886 O PHE 52 -2.753 -0.659 7.783 1.00 30.42 A ATOM 887 N GLN 53 -2.909 -2.840 7.250 1.00 23.31 A ATOM 888 HN GLN 53 -3.431 -3.536 6.800 1.00 40.43 A ATOM 889 CA GLN 53 -1.665 -3.204 7.916 1.00 64.41 A ATOM 890 HA GLN 53 -1.610 -2.652 8.842 1.00 52.14 A ATOM 891 CB GLN 53 -1.648 -4.702 8.229 1.00 10.40 A ATOM 892 HB1 GLN 53 -1.720 -5.252 7.302 1.00 3.24 A ATOM 893 HB2 GLN 53 -2.502 -4.938 8.846 1.00 53.14 A ATOM 894 CG GLN 53 -0.393 -5.157 8.957 1.00 64.10 A ATOM 895 HG1 GLN 53 0.468 -4.725 8.469 1.00 42.35 A ATOM 896 HG2 GLN 53 -0.332 -6.234 8.904 1.00 0.01 A ATOM 897 CD GLN 53 -0.383 -4.744 10.415 1.00 4.54 A ATOM 898 OE1 GLN 53 0.567 -4.117 10.888 1.00 43.12 A ATOM 899 NE2 GLN 53 -1.441 -5.093 11.138 1.00 5.30 A ATOM 900 HE21 GLN 53 -2.159 -5.592 10.695 1.00 64.30 A ATOM 901 HE22 GLN 53 -1.459 -4.839 12.083 1.00 34.25 A ATOM 902 C GLN 53 -0.459 -2.840 7.055 1.00 41.51 A ATOM 903 O GLN 53 0.425 -2.101 7.488 1.00 73.12 A ATOM 904 N ASN 54 -0.431 -3.363 5.833 1.00 5.24 A ATOM 905 HN ASN 54 -1.165 -3.945 5.545 1.00 15.41 A ATOM 906 CA ASN 54 0.666 -3.093 4.912 1.00 52.45 A ATOM 907 HA ASN 54 1.558 -3.552 5.313 1.00 15.42 A ATOM 908 CB ASN 54 0.369 -3.701 3.539 1.00 1.34 A ATOM 909 HB1 ASN 54 0.895 -3.140 2.782 1.00 41.14 A ATOM 910 HB2 ASN 54 -0.694 -3.645 3.351 1.00 72.13 A ATOM 911 CG ASN 54 0.796 -5.153 3.446 1.00 51.13 A ATOM 912 OD1 ASN 54 1.671 -5.603 4.185 1.00 64.11 A ATOM 913 ND2 ASN 54 0.178 -5.893 2.533 1.00 33.30 A ATOM 914 HD21 ASN 54 -0.511 -5.467 1.979 1.00 63.40 A ATOM 915 HD22 ASN 54 0.434 -6.836 2.451 1.00 14.34 A ATOM 916 C ASN 54 0.905 -1.592 4.774 1.00 0.03 A ATOM 917 O ASN 54 2.026 -1.113 4.944 1.00 65.22 A ATOM 918 N ARG 55 -0.159 -0.855 4.467 1.00 64.41 A ATOM 919 HN ARG 55 -1.025 -1.295 4.344 1.00 10.23 A ATOM 920 CA ARG 55 -0.064 0.591 4.306 1.00 33.34 A ATOM 921 HA ARG 55 0.559 0.790 3.448 1.00 33.31 A ATOM 922 CB ARG 55 -1.451 1.189 4.063 1.00 71.33 A ATOM 923 HB1 ARG 55 -1.482 2.180 4.490 1.00 75.42 A ATOM 924 HB2 ARG 55 -2.188 0.570 4.553 1.00 15.32 A ATOM 925 CG ARG 55 -1.820 1.292 2.592 1.00 61.02 A ATOM 926 HG1 ARG 55 -1.009 1.767 2.060 1.00 52.03 A ATOM 927 HG2 ARG 55 -2.715 1.889 2.496 1.00 70.44 A ATOM 928 CD ARG 55 -2.075 -0.078 1.984 1.00 75.30 A ATOM 929 HD1 ARG 55 -3.020 -0.451 2.355 1.00 64.24 A ATOM 930 HD2 ARG 55 -1.282 -0.745 2.286 1.00 65.03 A ATOM 931 NE ARG 55 -2.124 -0.030 0.525 1.00 15.52 A ATOM 932 HE ARG 55 -2.998 -0.142 0.096 1.00 0.24 A ATOM 933 CZ ARG 55 -1.055 0.158 -0.240 1.00 71.12 A ATOM 934 NH1 ARG 55 0.140 0.313 0.312 1.00 64.02 A ATOM 935 HH11 ARG 55 0.238 0.288 1.307 1.00 52.14 A ATOM 936 HH12 ARG 55 0.944 0.453 -0.267 1.00 23.32 A ATOM 937 NH2 ARG 55 -1.180 0.190 -1.561 1.00 12.12 A ATOM 938 HH21 ARG 55 -2.081 0.073 -1.981 1.00 2.45 A ATOM 939 HH22 ARG 55 -0.375 0.331 -2.136 1.00 10.32 A ATOM 940 C ARG 55 0.570 1.234 5.536 1.00 41.42 A ATOM 941 O ARG 55 1.317 2.207 5.424 1.00 31.30 A ATOM 942 N ARG 56 0.267 0.686 6.708 1.00 72.44 A ATOM 943 HN ARG 56 -0.334 -0.088 6.732 1.00 33.13 A ATOM 944 CA ARG 56 0.806 1.207 7.958 1.00 53.21 A ATOM 945 HA ARG 56 0.672 2.278 7.956 1.00 55.52 A ATOM 946 CB ARG 56 0.052 0.614 9.150 1.00 63.33 A ATOM 947 HB1 ARG 56 0.733 0.523 9.982 1.00 50.12 A ATOM 948 HB2 ARG 56 -0.307 -0.369 8.881 1.00 53.34 A ATOM 949 CG ARG 56 -1.136 1.449 9.596 1.00 12.22 A ATOM 950 HG1 ARG 56 -2.017 1.120 9.064 1.00 31.41 A ATOM 951 HG2 ARG 56 -0.942 2.487 9.367 1.00 63.40 A ATOM 952 CD ARG 56 -1.383 1.314 11.091 1.00 41.32 A ATOM 953 HD1 ARG 56 -1.556 0.274 11.321 1.00 61.23 A ATOM 954 HD2 ARG 56 -2.256 1.892 11.352 1.00 73.50 A ATOM 955 NE ARG 56 -0.247 1.791 11.877 1.00 33.02 A ATOM 956 HE ARG 56 0.622 1.850 11.430 1.00 61.01 A ATOM 957 CZ ARG 56 -0.335 2.145 13.155 1.00 74.14 A ATOM 958 NH1 ARG 56 -1.499 2.076 13.786 1.00 21.44 A ATOM 959 HH11 ARG 56 -2.312 1.756 13.301 1.00 73.31 A ATOM 960 HH12 ARG 56 -1.562 2.342 14.749 1.00 73.54 A ATOM 961 NH2 ARG 56 0.742 2.569 13.803 1.00 61.43 A ATOM 962 HH21 ARG 56 1.620 2.622 13.330 1.00 61.03 A ATOM 963 HH22 ARG 56 0.675 2.835 14.764 1.00 71.23 A ATOM 964 C ARG 56 2.295 0.898 8.079 1.00 41.12 A ATOM 965 O ARG 56 3.043 1.639 8.717 1.00 23.45 A ATOM 966 N TYR 57 2.718 -0.200 7.462 1.00 10.22 A ATOM 967 HN TYR 57 2.073 -0.750 6.969 1.00 0.40 A ATOM 968 CA TYR 57 4.117 -0.609 7.503 1.00 11.32 A ATOM 969 HA TYR 57 4.516 -0.328 8.467 1.00 64.41 A ATOM 970 CB TYR 57 4.232 -2.125 7.341 1.00 72.31 A ATOM 971 HB1 TYR 57 3.717 -2.424 6.439 1.00 11.05 A ATOM 972 HB2 TYR 57 3.771 -2.607 8.189 1.00 32.21 A ATOM 973 CG TYR 57 5.658 -2.618 7.246 1.00 1.13 A ATOM 974 CD1 TYR 57 6.431 -2.794 8.388 1.00 55.23 A ATOM 975 HD1 TYR 57 5.998 -2.573 9.353 1.00 51.42 A ATOM 976 CD2 TYR 57 6.233 -2.908 6.015 1.00 21.41 A ATOM 977 HD2 TYR 57 5.646 -2.778 5.118 1.00 72.14 A ATOM 978 CE1 TYR 57 7.734 -3.243 8.306 1.00 43.23 A ATOM 979 HE1 TYR 57 8.319 -3.373 9.204 1.00 11.45 A ATOM 980 CE2 TYR 57 7.536 -3.359 5.924 1.00 72.43 A ATOM 981 HE2 TYR 57 7.966 -3.580 4.958 1.00 55.14 A ATOM 982 CZ TYR 57 8.282 -3.524 7.072 1.00 63.53 A ATOM 983 OH TYR 57 9.580 -3.973 6.986 1.00 63.41 A ATOM 984 HH TYR 57 10.051 -3.466 6.320 1.00 11.14 A ATOM 985 C TYR 57 4.921 0.093 6.413 1.00 13.15 A ATOM 986 O TYR 57 6.132 0.280 6.541 1.00 70.30 A ATOM 987 N LYS 58 4.240 0.481 5.341 1.00 61.22 A ATOM 988 HN LYS 58 3.277 0.304 5.297 1.00 34.32 A ATOM 989 CA LYS 58 4.888 1.164 4.228 1.00 42.23 A ATOM 990 HA LYS 58 5.805 0.639 4.004 1.00 14.34 A ATOM 991 CB LYS 58 3.986 1.139 2.992 1.00 13.20 A ATOM 992 HB1 LYS 58 4.230 1.985 2.366 1.00 40.14 A ATOM 993 HB2 LYS 58 2.957 1.223 3.311 1.00 42.55 A ATOM 994 CG LYS 58 4.126 -0.125 2.162 1.00 41.12 A ATOM 995 HG1 LYS 58 3.642 -0.941 2.680 1.00 2.41 A ATOM 996 HG2 LYS 58 5.175 -0.348 2.036 1.00 3.13 A ATOM 997 CD LYS 58 3.491 0.035 0.791 1.00 74.12 A ATOM 998 HD1 LYS 58 4.173 0.573 0.148 1.00 14.41 A ATOM 999 HD2 LYS 58 2.572 0.594 0.892 1.00 20.41 A ATOM 1000 CE LYS 58 3.178 -1.314 0.161 1.00 51.32 A ATOM 1001 HE1 LYS 58 2.293 -1.214 -0.451 1.00 4.11 A ATOM 1002 HE2 LYS 58 2.992 -2.029 0.947 1.00 24.30 A ATOM 1003 NZ LYS 58 4.300 -1.804 -0.686 1.00 44.11 A ATOM 1004 HZ1 LYS 58 4.677 -1.026 -1.265 1.00 1.13 A ATOM 1005 HZ2 LYS 58 3.968 -2.560 -1.317 1.00 71.42 A ATOM 1006 HZ3 LYS 58 5.064 -2.177 -0.087 1.00 32.31 A ATOM 1007 C LYS 58 5.224 2.606 4.596 1.00 63.23 A ATOM 1008 O LYS 58 6.119 3.216 4.008 1.00 33.54 A ATOM 1009 N THR 59 4.503 3.146 5.573 1.00 53.22 A ATOM 1010 HN THR 59 3.804 2.610 6.002 1.00 21.23 A ATOM 1011 CA THR 59 4.725 4.516 6.019 1.00 34.43 A ATOM 1012 HA THR 59 5.322 5.017 5.272 1.00 41.40 A ATOM 1013 CB THR 59 3.396 5.280 6.169 1.00 33.02 A ATOM 1014 HB THR 59 2.828 5.167 5.257 1.00 70.24 A ATOM 1015 OG1 THR 59 3.653 6.671 6.390 1.00 51.22 A ATOM 1016 HG1 THR 59 2.848 7.103 6.686 1.00 73.30 A ATOM 1017 CG2 THR 59 2.577 4.721 7.323 1.00 2.23 A ATOM 1018 HG21 THR 59 2.342 3.685 7.129 1.00 11.14 A ATOM 1019 HG22 THR 59 1.662 5.286 7.422 1.00 3.13 A ATOM 1020 HG23 THR 59 3.147 4.795 8.237 1.00 1.41 A ATOM 1021 C THR 59 5.468 4.547 7.350 1.00 63.54 A ATOM 1022 O THR 59 5.457 3.572 8.102 1.00 64.01 A ATOM 1023 N LYS 60 6.114 5.672 7.635 1.00 11.21 A ATOM 1024 HN LYS 60 6.086 6.415 6.995 1.00 33.31 A ATOM 1025 CA LYS 60 6.862 5.832 8.876 1.00 22.13 A ATOM 1026 HA LYS 60 7.324 6.807 8.862 1.00 10.51 A ATOM 1027 CB LYS 60 5.920 5.744 10.079 1.00 52.11 A ATOM 1028 HB1 LYS 60 6.484 5.417 10.940 1.00 5.53 A ATOM 1029 HB2 LYS 60 5.151 5.016 9.866 1.00 20.12 A ATOM 1030 CG LYS 60 5.247 7.062 10.422 1.00 71.11 A ATOM 1031 HG1 LYS 60 6.004 7.828 10.518 1.00 33.43 A ATOM 1032 HG2 LYS 60 4.720 6.954 11.359 1.00 64.05 A ATOM 1033 CD LYS 60 4.257 7.479 9.347 1.00 1.02 A ATOM 1034 HD1 LYS 60 3.498 6.715 9.253 1.00 65.13 A ATOM 1035 HD2 LYS 60 4.780 7.586 8.409 1.00 1.10 A ATOM 1036 CE LYS 60 3.587 8.801 9.689 1.00 4.20 A ATOM 1037 HE1 LYS 60 4.349 9.561 9.785 1.00 51.14 A ATOM 1038 HE2 LYS 60 3.067 8.694 10.628 1.00 32.22 A ATOM 1039 NZ LYS 60 2.615 9.218 8.641 1.00 64.03 A ATOM 1040 HZ1 LYS 60 1.898 8.477 8.505 1.00 54.53 A ATOM 1041 HZ2 LYS 60 3.108 9.376 7.739 1.00 44.40 A ATOM 1042 HZ3 LYS 60 2.139 10.099 8.923 1.00 23.34 A ATOM 1043 C LYS 60 7.954 4.773 8.994 1.00 75.21 A ATOM 1044 O LYS 60 8.384 4.431 10.096 1.00 51.34 A ATOM 1045 N ARG 61 8.398 4.258 7.852 1.00 75.10 A ATOM 1046 HN ARG 61 8.014 4.571 7.005 1.00 22.35 A ATOM 1047 CA ARG 61 9.439 3.238 7.828 1.00 60.03 A ATOM 1048 HA ARG 61 9.035 2.341 8.272 1.00 22.32 A ATOM 1049 CB ARG 61 9.853 2.936 6.386 1.00 4.13 A ATOM 1050 HB1 ARG 61 8.974 2.952 5.761 1.00 54.21 A ATOM 1051 HB2 ARG 61 10.294 1.950 6.349 1.00 12.54 A ATOM 1052 CG ARG 61 10.858 3.927 5.821 1.00 12.02 A ATOM 1053 HG1 ARG 61 11.117 3.628 4.817 1.00 52.13 A ATOM 1054 HG2 ARG 61 11.742 3.922 6.441 1.00 44.11 A ATOM 1055 CD ARG 61 10.290 5.337 5.787 1.00 42.41 A ATOM 1056 HD1 ARG 61 10.195 5.697 6.801 1.00 53.05 A ATOM 1057 HD2 ARG 61 9.316 5.308 5.322 1.00 31.24 A ATOM 1058 NE ARG 61 11.145 6.253 5.037 1.00 41.43 A ATOM 1059 HE ARG 61 11.832 5.862 4.458 1.00 12.21 A ATOM 1060 CZ ARG 61 11.038 7.576 5.099 1.00 23.04 A ATOM 1061 NH1 ARG 61 10.117 8.134 5.874 1.00 43.21 A ATOM 1062 HH11 ARG 61 9.504 7.559 6.413 1.00 74.42 A ATOM 1063 HH12 ARG 61 10.041 9.130 5.920 1.00 12.42 A ATOM 1064 NH2 ARG 61 11.853 8.343 4.387 1.00 43.14 A ATOM 1065 HH21 ARG 61 12.548 7.926 3.802 1.00 62.12 A ATOM 1066 HH22 ARG 61 11.771 9.338 4.434 1.00 1.13 A ATOM 1067 C ARG 61 10.655 3.683 8.635 1.00 12.02 A ATOM 1068 O ARG 61 10.777 4.852 9.001 1.00 51.31 A ATOM 1069 N LYS 62 11.552 2.743 8.911 1.00 61.43 A ATOM 1070 HN LYS 62 11.399 1.828 8.592 1.00 40.04 A ATOM 1071 CA LYS 62 12.759 3.036 9.674 1.00 2.31 A ATOM 1072 HA LYS 62 12.809 4.105 9.816 1.00 0.12 A ATOM 1073 CB LYS 62 12.701 2.354 11.042 1.00 34.35 A ATOM 1074 HB1 LYS 62 11.905 2.801 11.621 1.00 75.45 A ATOM 1075 HB2 LYS 62 13.639 2.516 11.553 1.00 73.33 A ATOM 1076 CG LYS 62 12.451 0.857 10.966 1.00 44.34 A ATOM 1077 HG1 LYS 62 13.085 0.435 10.199 1.00 33.01 A ATOM 1078 HG2 LYS 62 11.416 0.686 10.713 1.00 53.44 A ATOM 1079 CD LYS 62 12.753 0.173 12.288 1.00 3.13 A ATOM 1080 HD1 LYS 62 12.514 0.850 13.097 1.00 64.15 A ATOM 1081 HD2 LYS 62 13.803 -0.076 12.324 1.00 55.22 A ATOM 1082 CE LYS 62 11.941 -1.102 12.454 1.00 11.04 A ATOM 1083 HE1 LYS 62 12.233 -1.581 13.377 1.00 34.33 A ATOM 1084 HE2 LYS 62 12.152 -1.759 11.625 1.00 21.22 A ATOM 1085 NZ LYS 62 10.478 -0.826 12.493 1.00 71.44 A ATOM 1086 HZ1 LYS 62 9.998 -1.525 13.096 1.00 33.11 A ATOM 1087 HZ2 LYS 62 10.079 -0.882 11.534 1.00 12.20 A ATOM 1088 HZ3 LYS 62 10.303 0.125 12.875 1.00 30.52 A ATOM 1089 C LYS 62 14.004 2.581 8.920 1.00 63.32 A ATOM 1090 O LYS 62 13.918 2.127 7.779 1.00 32.01 A ATOM 1091 N GLN 63 15.160 2.704 9.565 1.00 34.31 A ATOM 1092 HN GLN 63 15.163 3.072 10.472 1.00 5.44 A ATOM 1093 CA GLN 63 16.422 2.303 8.954 1.00 14.33 A ATOM 1094 HA GLN 63 16.195 1.678 8.104 1.00 34.34 A ATOM 1095 CB GLN 63 17.193 3.534 8.474 1.00 71.23 A ATOM 1096 HB1 GLN 63 18.027 3.703 9.139 1.00 51.53 A ATOM 1097 HB2 GLN 63 16.537 4.391 8.506 1.00 32.33 A ATOM 1098 CG GLN 63 17.732 3.400 7.059 1.00 62.52 A ATOM 1099 HG1 GLN 63 18.369 2.528 7.011 1.00 12.34 A ATOM 1100 HG2 GLN 63 18.311 4.280 6.823 1.00 50.14 A ATOM 1101 CD GLN 63 16.632 3.253 6.026 1.00 12.33 A ATOM 1102 OE1 GLN 63 15.635 3.976 6.058 1.00 61.51 A ATOM 1103 NE2 GLN 63 16.806 2.315 5.103 1.00 40.22 A ATOM 1104 HE21 GLN 63 17.626 1.776 5.140 1.00 15.55 A ATOM 1105 HE22 GLN 63 16.111 2.198 4.424 1.00 44.41 A ATOM 1106 C GLN 63 17.273 1.506 9.937 1.00 44.42 A ATOM 1107 O GLN 63 16.946 1.407 11.120 1.00 3.52 A ATOM 1108 N LEU 64 18.367 0.939 9.439 1.00 12.34 A ATOM 1109 HN LEU 64 18.575 1.053 8.489 1.00 41.30 A ATOM 1110 CA LEU 64 19.265 0.150 10.274 1.00 64.05 A ATOM 1111 HA LEU 64 18.724 -0.718 10.617 1.00 74.13 A ATOM 1112 CB LEU 64 20.477 -0.309 9.459 1.00 5.04 A ATOM 1113 HB1 LEU 64 20.950 0.571 9.047 1.00 4.10 A ATOM 1114 HB2 LEU 64 20.117 -0.932 8.655 1.00 21.21 A ATOM 1115 CG LEU 64 21.540 -1.098 10.224 1.00 23.44 A ATOM 1116 HG LEU 64 21.064 -1.652 11.022 1.00 1.21 A ATOM 1117 CD1 LEU 64 22.227 -2.097 9.306 1.00 21.52 A ATOM 1118 HD11 LEU 64 22.654 -2.894 9.896 1.00 22.02 A ATOM 1119 HD12 LEU 64 23.010 -1.599 8.753 1.00 33.34 A ATOM 1120 HD13 LEU 64 21.504 -2.507 8.616 1.00 64.42 A ATOM 1121 CD2 LEU 64 22.559 -0.156 10.847 1.00 14.42 A ATOM 1122 HD21 LEU 64 22.218 0.146 11.827 1.00 72.22 A ATOM 1123 HD22 LEU 64 22.672 0.718 10.221 1.00 71.41 A ATOM 1124 HD23 LEU 64 23.510 -0.661 10.936 1.00 51.42 A ATOM 1125 C LEU 64 19.729 0.952 11.486 1.00 73.20 A ATOM 1126 O LEU 64 19.890 0.407 12.578 1.00 44.10 A ATOM 1127 N SER 65 19.938 2.249 11.286 1.00 14.24 A ATOM 1128 HN SER 65 19.791 2.625 10.393 1.00 63.32 A ATOM 1129 CA SER 65 20.383 3.126 12.363 1.00 14.20 A ATOM 1130 HA SER 65 20.477 2.530 13.259 1.00 55.34 A ATOM 1131 CB SER 65 21.745 3.734 12.024 1.00 21.10 A ATOM 1132 HB1 SER 65 22.524 3.036 12.295 1.00 54.42 A ATOM 1133 HB2 SER 65 21.875 4.651 12.578 1.00 41.34 A ATOM 1134 OG SER 65 21.846 4.018 10.639 1.00 33.34 A ATOM 1135 HG SER 65 22.631 4.548 10.478 1.00 73.33 A ATOM 1136 C SER 65 19.367 4.236 12.615 1.00 55.13 A ATOM 1137 O SER 65 18.704 4.263 13.652 1.00 5.21 A ATOM 1138 N SER 66 19.248 5.151 11.657 1.00 22.42 A ATOM 1139 HN SER 66 19.805 5.075 10.853 1.00 31.52 A ATOM 1140 CA SER 66 18.317 6.266 11.775 1.00 20.33 A ATOM 1141 HA SER 66 17.337 5.859 11.973 1.00 75.44 A ATOM 1142 CB SER 66 18.722 7.175 12.937 1.00 14.30 A ATOM 1143 HB1 SER 66 18.846 6.580 13.830 1.00 22.00 A ATOM 1144 HB2 SER 66 17.948 7.911 13.100 1.00 4.52 A ATOM 1145 OG SER 66 19.940 7.845 12.660 1.00 34.33 A ATOM 1146 HG SER 66 20.660 7.400 13.114 1.00 15.41 A ATOM 1147 C SER 66 18.265 7.069 10.480 1.00 54.54 A ATOM 1148 O SER 66 19.064 6.853 9.570 1.00 25.31 A ATOM 1149 N GLU 67 17.316 7.998 10.405 1.00 43.14 A ATOM 1150 HN GLU 67 16.707 8.124 11.163 1.00 65.41 A ATOM 1151 CA GLU 67 17.159 8.834 9.220 1.00 35.12 A ATOM 1152 HA GLU 67 17.924 8.554 8.513 1.00 44.44 A ATOM 1153 CB GLU 67 15.786 8.602 8.584 1.00 2.34 A ATOM 1154 HB1 GLU 67 15.600 9.386 7.864 1.00 21.44 A ATOM 1155 HB2 GLU 67 15.032 8.649 9.356 1.00 4.44 A ATOM 1156 CG GLU 67 15.662 7.264 7.876 1.00 52.14 A ATOM 1157 HG1 GLU 67 14.620 6.978 7.853 1.00 4.52 A ATOM 1158 HG2 GLU 67 16.224 6.526 8.427 1.00 64.53 A ATOM 1159 CD GLU 67 16.184 7.307 6.453 1.00 74.15 A ATOM 1160 OE1 GLU 67 15.366 7.187 5.516 1.00 21.43 A ATOM 1161 OE2 GLU 67 17.410 7.461 6.276 1.00 43.15 A ATOM 1162 C GLU 67 17.326 10.310 9.569 1.00 31.14 A ATOM 1163 O GLU 67 16.352 11.060 9.632 1.00 51.02 A ATOM 1164 N LEU 68 18.570 10.720 9.797 1.00 72.31 A ATOM 1165 HN LEU 68 19.305 10.076 9.732 1.00 24.03 A ATOM 1166 CA LEU 68 18.867 12.106 10.141 1.00 74.23 A ATOM 1167 HA LEU 68 18.050 12.482 10.738 1.00 35.32 A ATOM 1168 CB LEU 68 20.159 12.183 10.957 1.00 40.42 A ATOM 1169 HB1 LEU 68 20.983 11.973 10.290 1.00 35.45 A ATOM 1170 HB2 LEU 68 20.113 11.423 11.721 1.00 23.10 A ATOM 1171 CG LEU 68 20.440 13.521 11.643 1.00 30.52 A ATOM 1172 HG LEU 68 20.183 14.325 10.968 1.00 11.53 A ATOM 1173 CD1 LEU 68 19.588 13.668 12.894 1.00 32.22 A ATOM 1174 HD11 LEU 68 18.973 14.551 12.809 1.00 2.10 A ATOM 1175 HD12 LEU 68 20.229 13.757 13.758 1.00 5.52 A ATOM 1176 HD13 LEU 68 18.956 12.798 13.004 1.00 45.11 A ATOM 1177 CD2 LEU 68 21.918 13.645 11.985 1.00 73.34 A ATOM 1178 HD21 LEU 68 22.216 14.680 11.913 1.00 24.12 A ATOM 1179 HD22 LEU 68 22.498 13.053 11.291 1.00 2.42 A ATOM 1180 HD23 LEU 68 22.085 13.289 12.990 1.00 12.43 A ATOM 1181 C LEU 68 18.994 12.963 8.885 1.00 14.24 A ATOM 1182 O LEU 68 19.992 12.891 8.170 1.00 53.32 A ATOM 1183 N GLY 69 17.974 13.776 8.625 1.00 3.44 A ATOM 1184 HN GLY 69 17.204 13.792 9.232 1.00 61.45 A ATOM 1185 CA GLY 69 17.992 14.638 7.458 1.00 73.35 A ATOM 1186 HA1 GLY 69 18.498 14.124 6.653 1.00 14.45 A ATOM 1187 HA2 GLY 69 18.537 15.539 7.696 1.00 21.42 A ATOM 1188 C GLY 69 16.599 15.015 6.995 1.00 55.23 A ATOM 1189 O GLY 69 15.985 15.895 7.597 1.00 2.10 A ATOM 1190 X ANI 900 -34.585 18.021 28.617 1.00 0.00 ATOM 1191 Y ANI 900 -34.019 17.979 27.322 1.00 0.00 ATOM 1192 Z ANI 900 -34.745 16.869 27.812 1.00 0.00 ATOM 1193 OO ANI 900 -33.963 17.402 28.137 1.00 0.00 ATOM 1194 X ANI 901 -40.911 53.646 46.471 1.00 0.00 ATOM 1195 Y ANI 901 -40.439 53.821 45.149 1.00 0.00 ATOM 1196 Z ANI 901 -41.212 52.683 45.480 1.00 0.00 ATOM 1197 OO ANI 901 -40.372 53.095 45.834 1.00 0.00 ATOM 1198 OH2 TIP3 1 -15.148 -11.308 -10.721 0.00 0.00 WAT1 ATOM 1199 H1 TIP3 1 -15.197 -12.263 -10.758 0.00 0.00 WAT1 ATOM 1200 H2 TIP3 1 -15.974 -11.040 -10.319 0.00 0.00 WAT1 ATOM 1201 OH2 TIP3 2 -19.422 -9.682 -11.934 0.00 0.00 WAT1 ATOM 1202 H1 TIP3 2 -20.024 -10.237 -12.429 0.00 0.00 WAT1 ATOM 1203 H2 TIP3 2 -19.142 -9.015 -12.560 0.00 0.00 WAT1 ATOM 1204 OH2 TIP3 3 -15.873 -9.211 -12.816 0.00 0.00 WAT1 ATOM 1205 H1 TIP3 3 -16.361 -9.946 -13.187 0.00 0.00 WAT1 ATOM 1206 H2 TIP3 3 -15.325 -9.604 -12.138 0.00 0.00 WAT1 ATOM 1207 OH2 TIP3 4 -17.422 -13.421 -8.178 0.00 0.00 WAT1 ATOM 1208 H1 TIP3 4 -18.288 -13.526 -7.784 0.00 0.00 WAT1 ATOM 1209 H2 TIP3 4 -17.047 -12.662 -7.731 0.00 0.00 WAT1 ATOM 1210 OH2 TIP3 5 -21.704 -8.100 -11.161 0.00 0.00 WAT1 ATOM 1211 H1 TIP3 5 -21.026 -8.732 -11.401 0.00 0.00 WAT1 ATOM 1212 H2 TIP3 5 -21.381 -7.698 -10.353 0.00 0.00 WAT1 ATOM 1213 OH2 TIP3 6 -18.848 -7.592 -13.871 0.00 0.00 WAT1 ATOM 1214 H1 TIP3 6 -19.029 -6.676 -14.082 0.00 0.00 WAT1 ATOM 1215 H2 TIP3 6 -18.672 -8.002 -14.718 0.00 0.00 WAT1 ATOM 1216 OH2 TIP3 7 -17.501 -10.157 -10.008 0.00 0.00 WAT1 ATOM 1217 H1 TIP3 7 -18.282 -10.343 -10.528 0.00 0.00 WAT1 ATOM 1218 H2 TIP3 7 -17.573 -9.228 -9.791 0.00 0.00 WAT1 ATOM 1219 OH2 TIP3 8 -19.312 -14.077 0.599 0.00 0.00 WAT1 ATOM 1220 H1 TIP3 8 -19.753 -14.797 1.049 0.00 0.00 WAT1 ATOM 1221 H2 TIP3 8 -19.325 -13.356 1.229 0.00 0.00 WAT1 ATOM 1222 OH2 TIP3 9 -24.628 -14.583 2.703 0.00 0.00 WAT1 ATOM 1223 H1 TIP3 9 -24.325 -15.269 2.109 0.00 0.00 WAT1 ATOM 1224 H2 TIP3 9 -23.907 -14.465 3.321 0.00 0.00 WAT1 ATOM 1225 OH2 TIP3 10 -22.154 -13.670 -2.079 0.00 0.00 WAT1 ATOM 1226 H1 TIP3 10 -22.450 -13.992 -2.930 0.00 0.00 WAT1 ATOM 1227 H2 TIP3 10 -22.477 -12.770 -2.037 0.00 0.00 WAT1 ATOM 1228 OH2 TIP3 11 -18.800 -12.237 2.947 0.00 0.00 WAT1 ATOM 1229 H1 TIP3 11 -19.742 -12.179 3.108 0.00 0.00 WAT1 ATOM 1230 H2 TIP3 11 -18.523 -11.331 2.810 0.00 0.00 WAT1 ATOM 1231 OH2 TIP3 12 -20.547 -10.456 -0.428 0.00 0.00 WAT1 ATOM 1232 H1 TIP3 12 -20.123 -11.163 -0.913 0.00 0.00 WAT1 ATOM 1233 H2 TIP3 12 -20.230 -9.655 -0.845 0.00 0.00 WAT1 ATOM 1234 OH2 TIP3 13 -19.389 -12.555 -1.919 0.00 0.00 WAT1 ATOM 1235 H1 TIP3 13 -19.645 -13.245 -2.531 0.00 0.00 WAT1 ATOM 1236 H2 TIP3 13 -19.318 -12.998 -1.074 0.00 0.00 WAT1 ATOM 1237 OH2 TIP3 14 -15.861 -17.649 4.624 0.00 0.00 WAT1 ATOM 1238 H1 TIP3 14 -16.512 -16.954 4.713 0.00 0.00 WAT1 ATOM 1239 H2 TIP3 14 -15.396 -17.439 3.814 0.00 0.00 WAT1 ATOM 1240 OH2 TIP3 15 -26.812 -12.759 1.846 0.00 0.00 WAT1 ATOM 1241 H1 TIP3 15 -26.907 -13.337 1.089 0.00 0.00 WAT1 ATOM 1242 H2 TIP3 15 -26.082 -13.130 2.342 0.00 0.00 WAT1 ATOM 1243 OH2 TIP3 16 -21.503 -11.915 3.532 0.00 0.00 WAT1 ATOM 1244 H1 TIP3 16 -21.744 -11.253 4.180 0.00 0.00 WAT1 ATOM 1245 H2 TIP3 16 -21.701 -12.749 3.957 0.00 0.00 WAT1 ATOM 1246 OH2 TIP3 17 -23.227 -10.918 -1.598 0.00 0.00 WAT1 ATOM 1247 H1 TIP3 17 -22.753 -10.623 -0.820 0.00 0.00 WAT1 ATOM 1248 H2 TIP3 17 -23.790 -10.180 -1.831 0.00 0.00 WAT1 ATOM 1249 OH2 TIP3 18 -16.065 -11.539 -6.843 0.00 0.00 WAT1 ATOM 1250 H1 TIP3 18 -15.992 -10.600 -6.673 0.00 0.00 WAT1 ATOM 1251 H2 TIP3 18 -15.160 -11.844 -6.900 0.00 0.00 WAT1 ATOM 1252 OH2 TIP3 19 -24.169 -11.734 7.011 0.00 0.00 WAT1 ATOM 1253 H1 TIP3 19 -24.082 -10.908 7.486 0.00 0.00 WAT1 ATOM 1254 H2 TIP3 19 -25.032 -12.064 7.260 0.00 0.00 WAT1 ATOM 1255 OH2 TIP3 20 -23.755 -7.962 -3.183 0.00 0.00 WAT1 ATOM 1256 H1 TIP3 20 -23.829 -8.083 -4.129 0.00 0.00 WAT1 ATOM 1257 H2 TIP3 20 -23.721 -7.012 -3.064 0.00 0.00 WAT1 ATOM 1258 OH2 TIP3 21 -20.652 -8.808 -6.180 0.00 0.00 WAT1 ATOM 1259 H1 TIP3 21 -20.277 -9.552 -6.651 0.00 0.00 WAT1 ATOM 1260 H2 TIP3 21 -20.648 -9.078 -5.262 0.00 0.00 WAT1 ATOM 1261 OH2 TIP3 22 -20.983 -8.882 -3.431 0.00 0.00 WAT1 ATOM 1262 H1 TIP3 22 -21.919 -8.782 -3.252 0.00 0.00 WAT1 ATOM 1263 H2 TIP3 22 -20.704 -9.591 -2.853 0.00 0.00 WAT1 ATOM 1264 OH2 TIP3 23 -17.918 -15.825 4.473 0.00 0.00 WAT1 ATOM 1265 H1 TIP3 23 -17.276 -15.368 3.930 0.00 0.00 WAT1 ATOM 1266 H2 TIP3 23 -18.748 -15.712 4.011 0.00 0.00 WAT1 ATOM 1267 OH2 TIP3 24 -21.297 -12.312 6.874 0.00 0.00 WAT1 ATOM 1268 H1 TIP3 24 -22.198 -12.129 6.606 0.00 0.00 WAT1 ATOM 1269 H2 TIP3 24 -21.264 -12.053 7.795 0.00 0.00 WAT1 ATOM 1270 OH2 TIP3 25 -17.270 -11.281 -4.294 0.00 0.00 WAT1 ATOM 1271 H1 TIP3 25 -17.643 -12.107 -3.984 0.00 0.00 WAT1 ATOM 1272 H2 TIP3 25 -16.994 -11.464 -5.191 0.00 0.00 WAT1 ATOM 1273 OH2 TIP3 26 -27.567 -12.145 -1.139 0.00 0.00 WAT1 ATOM 1274 H1 TIP3 26 -27.041 -11.372 -1.340 0.00 0.00 WAT1 ATOM 1275 H2 TIP3 26 -28.448 -11.920 -1.441 0.00 0.00 WAT1 ATOM 1276 OH2 TIP3 27 -25.625 -10.333 4.752 0.00 0.00 WAT1 ATOM 1277 H1 TIP3 27 -25.262 -9.478 4.519 0.00 0.00 WAT1 ATOM 1278 H2 TIP3 27 -25.093 -10.625 5.493 0.00 0.00 WAT1 ATOM 1279 OH2 TIP3 28 -27.457 -9.460 -2.018 0.00 0.00 WAT1 ATOM 1280 H1 TIP3 28 -28.407 -9.355 -1.966 0.00 0.00 WAT1 ATOM 1281 H2 TIP3 28 -27.105 -8.640 -1.673 0.00 0.00 WAT1 ATOM 1282 OH2 TIP3 29 -22.082 -14.234 4.453 0.00 0.00 WAT1 ATOM 1283 H1 TIP3 29 -22.508 -14.461 5.279 0.00 0.00 WAT1 ATOM 1284 H2 TIP3 29 -21.501 -14.972 4.270 0.00 0.00 WAT1 ATOM 1285 OH2 TIP3 30 -19.879 -13.305 -6.473 0.00 0.00 WAT1 ATOM 1286 H1 TIP3 30 -19.526 -13.685 -5.669 0.00 0.00 WAT1 ATOM 1287 H2 TIP3 30 -20.828 -13.398 -6.387 0.00 0.00 WAT1 ATOM 1288 OH2 TIP3 31 -21.265 -11.458 9.466 0.00 0.00 WAT1 ATOM 1289 H1 TIP3 31 -21.616 -12.314 9.709 0.00 0.00 WAT1 ATOM 1290 H2 TIP3 31 -20.538 -11.315 10.073 0.00 0.00 WAT1 ATOM 1291 OH2 TIP3 32 -19.145 -10.513 -7.654 0.00 0.00 WAT1 ATOM 1292 H1 TIP3 32 -18.863 -11.307 -7.201 0.00 0.00 WAT1 ATOM 1293 H2 TIP3 32 -18.405 -10.280 -8.215 0.00 0.00 WAT1 ATOM 1294 OH2 TIP3 33 -20.142 -15.061 6.887 0.00 0.00 WAT1 ATOM 1295 H1 TIP3 33 -19.396 -14.473 6.767 0.00 0.00 WAT1 ATOM 1296 H2 TIP3 33 -20.898 -14.479 6.950 0.00 0.00 WAT1 ATOM 1297 OH2 TIP3 34 -19.687 -16.970 8.786 0.00 0.00 WAT1 ATOM 1298 H1 TIP3 34 -19.968 -16.261 8.208 0.00 0.00 WAT1 ATOM 1299 H2 TIP3 34 -18.744 -17.043 8.635 0.00 0.00 WAT1 ATOM 1300 OH2 TIP3 35 -17.422 -13.421 10.678 0.00 0.00 WAT1 ATOM 1301 H1 TIP3 35 -18.288 -13.526 11.072 0.00 0.00 WAT1 ATOM 1302 H2 TIP3 35 -17.047 -12.662 11.125 0.00 0.00 WAT1 ATOM 1303 OH2 TIP3 36 -16.122 -15.164 -3.808 0.00 0.00 WAT1 ATOM 1304 H1 TIP3 36 -15.271 -14.743 -3.680 0.00 0.00 WAT1 ATOM 1305 H2 TIP3 36 -16.117 -15.904 -3.200 0.00 0.00 WAT1 ATOM 1306 OH2 TIP3 37 -15.728 -17.111 -1.984 0.00 0.00 WAT1 ATOM 1307 H1 TIP3 37 -16.453 -17.590 -1.586 0.00 0.00 WAT1 ATOM 1308 H2 TIP3 37 -15.146 -16.905 -1.252 0.00 0.00 WAT1 ATOM 1309 OH2 TIP3 38 -15.969 -14.326 2.964 0.00 0.00 WAT1 ATOM 1310 H1 TIP3 38 -15.135 -14.704 2.683 0.00 0.00 WAT1 ATOM 1311 H2 TIP3 38 -15.857 -13.383 2.845 0.00 0.00 WAT1 ATOM 1312 OH2 TIP3 39 -17.084 -16.620 8.218 0.00 0.00 WAT1 ATOM 1313 H1 TIP3 39 -16.502 -17.354 8.409 0.00 0.00 WAT1 ATOM 1314 H2 TIP3 39 -16.520 -15.848 8.264 0.00 0.00 WAT1 ATOM 1315 OH2 TIP3 40 -15.588 -18.717 8.902 0.00 0.00 WAT1 ATOM 1316 H1 TIP3 40 -16.450 -19.096 8.737 0.00 0.00 WAT1 ATOM 1317 H2 TIP3 40 -14.984 -19.456 8.828 0.00 0.00 WAT1 ATOM 1318 OH2 TIP3 41 -28.360 -10.784 5.492 0.00 0.00 WAT1 ATOM 1319 H1 TIP3 41 -28.785 -9.975 5.209 0.00 0.00 WAT1 ATOM 1320 H2 TIP3 41 -27.454 -10.699 5.190 0.00 0.00 WAT1 ATOM 1321 OH2 TIP3 42 -24.049 -9.385 8.451 0.00 0.00 WAT1 ATOM 1322 H1 TIP3 42 -23.864 -9.719 9.329 0.00 0.00 WAT1 ATOM 1323 H2 TIP3 42 -23.201 -9.076 8.129 0.00 0.00 WAT1 ATOM 1324 OH2 TIP3 43 -28.491 -7.928 4.569 0.00 0.00 WAT1 ATOM 1325 H1 TIP3 43 -29.355 -7.856 4.973 0.00 0.00 WAT1 ATOM 1326 H2 TIP3 43 -28.546 -7.381 3.785 0.00 0.00 WAT1 ATOM 1327 OH2 TIP3 44 -29.401 -10.195 1.105 0.00 0.00 WAT1 ATOM 1328 H1 TIP3 44 -29.620 -11.111 1.274 0.00 0.00 WAT1 ATOM 1329 H2 TIP3 44 -28.578 -10.055 1.571 0.00 0.00 WAT1 ATOM 1330 OH2 TIP3 45 -26.864 -9.725 1.953 0.00 0.00 WAT1 ATOM 1331 H1 TIP3 45 -26.651 -10.613 1.666 0.00 0.00 WAT1 ATOM 1332 H2 TIP3 45 -26.800 -9.759 2.908 0.00 0.00 WAT1 ATOM 1333 OH2 TIP3 46 -23.428 -8.471 -5.982 0.00 0.00 WAT1 ATOM 1334 H1 TIP3 46 -22.562 -8.105 -6.160 0.00 0.00 WAT1 ATOM 1335 H2 TIP3 46 -23.675 -8.911 -6.795 0.00 0.00 WAT1 ATOM 1336 OH2 TIP3 47 -20.547 -10.456 18.428 0.00 0.00 WAT1 ATOM 1337 H1 TIP3 47 -20.123 -11.163 17.943 0.00 0.00 WAT1 ATOM 1338 H2 TIP3 47 -20.230 -9.655 18.011 0.00 0.00 WAT1 ATOM 1339 OH2 TIP3 48 -19.389 -12.555 16.937 0.00 0.00 WAT1 ATOM 1340 H1 TIP3 48 -19.645 -13.245 16.325 0.00 0.00 WAT1 ATOM 1341 H2 TIP3 48 -19.318 -12.998 17.782 0.00 0.00 WAT1 ATOM 1342 OH2 TIP3 49 -23.755 -7.962 15.673 0.00 0.00 WAT1 ATOM 1343 H1 TIP3 49 -23.829 -8.083 14.727 0.00 0.00 WAT1 ATOM 1344 H2 TIP3 49 -23.721 -7.012 15.792 0.00 0.00 WAT1 ATOM 1345 OH2 TIP3 50 -20.652 -8.808 12.676 0.00 0.00 WAT1 ATOM 1346 H1 TIP3 50 -20.277 -9.552 12.205 0.00 0.00 WAT1 ATOM 1347 H2 TIP3 50 -20.648 -9.078 13.594 0.00 0.00 WAT1 ATOM 1348 OH2 TIP3 51 -20.983 -8.882 15.425 0.00 0.00 WAT1 ATOM 1349 H1 TIP3 51 -21.919 -8.782 15.604 0.00 0.00 WAT1 ATOM 1350 H2 TIP3 51 -20.704 -9.591 16.003 0.00 0.00 WAT1 ATOM 1351 OH2 TIP3 52 -19.476 -16.622 11.453 0.00 0.00 WAT1 ATOM 1352 H1 TIP3 52 -19.434 -16.845 10.523 0.00 0.00 WAT1 ATOM 1353 H2 TIP3 52 -18.627 -16.224 11.643 0.00 0.00 WAT1 ATOM 1354 OH2 TIP3 53 -17.270 -11.281 14.562 0.00 0.00 WAT1 ATOM 1355 H1 TIP3 53 -17.643 -12.107 14.872 0.00 0.00 WAT1 ATOM 1356 H2 TIP3 53 -16.994 -11.464 13.665 0.00 0.00 WAT1 ATOM 1357 OH2 TIP3 54 -19.879 -13.305 12.383 0.00 0.00 WAT1 ATOM 1358 H1 TIP3 54 -19.526 -13.685 13.187 0.00 0.00 WAT1 ATOM 1359 H2 TIP3 54 -20.828 -13.398 12.469 0.00 0.00 WAT1 ATOM 1360 OH2 TIP3 55 -23.750 -10.330 10.968 0.00 0.00 WAT1 ATOM 1361 H1 TIP3 55 -24.393 -10.961 11.290 0.00 0.00 WAT1 ATOM 1362 H2 TIP3 55 -22.988 -10.861 10.736 0.00 0.00 WAT1 ATOM 1363 OH2 TIP3 56 -19.145 -10.513 11.202 0.00 0.00 WAT1 ATOM 1364 H1 TIP3 56 -18.863 -11.307 11.655 0.00 0.00 WAT1 ATOM 1365 H2 TIP3 56 -18.405 -10.280 10.641 0.00 0.00 WAT1 ATOM 1366 OH2 TIP3 57 -16.581 -16.033 11.073 0.00 0.00 WAT1 ATOM 1367 H1 TIP3 57 -16.854 -16.458 10.260 0.00 0.00 WAT1 ATOM 1368 H2 TIP3 57 -16.541 -15.102 10.856 0.00 0.00 WAT1 ATOM 1369 OH2 TIP3 58 -26.073 -7.697 12.629 0.00 0.00 WAT1 ATOM 1370 H1 TIP3 58 -25.140 -7.539 12.773 0.00 0.00 WAT1 ATOM 1371 H2 TIP3 58 -26.337 -7.022 12.004 0.00 0.00 WAT1 ATOM 1372 OH2 TIP3 59 -18.698 -8.688 17.546 0.00 0.00 WAT1 ATOM 1373 H1 TIP3 59 -18.046 -9.035 16.938 0.00 0.00 WAT1 ATOM 1374 H2 TIP3 59 -18.188 -8.199 18.192 0.00 0.00 WAT1 ATOM 1375 OH2 TIP3 60 -23.428 -8.471 12.874 0.00 0.00 WAT1 ATOM 1376 H1 TIP3 60 -22.562 -8.105 12.696 0.00 0.00 WAT1 ATOM 1377 H2 TIP3 60 -23.675 -8.911 12.061 0.00 0.00 WAT1 ATOM 1378 OH2 TIP3 61 -15.966 -4.126 -15.292 0.00 0.00 WAT1 ATOM 1379 H1 TIP3 61 -15.917 -3.516 -14.556 0.00 0.00 WAT1 ATOM 1380 H2 TIP3 61 -15.540 -3.665 -16.015 0.00 0.00 WAT1 ATOM 1381 OH2 TIP3 62 -15.574 -2.648 -13.056 0.00 0.00 WAT1 ATOM 1382 H1 TIP3 62 -16.263 -1.990 -13.151 0.00 0.00 WAT1 ATOM 1383 H2 TIP3 62 -15.559 -2.845 -12.119 0.00 0.00 WAT1 ATOM 1384 OH2 TIP3 63 -18.500 -5.095 -14.492 0.00 0.00 WAT1 ATOM 1385 H1 TIP3 63 -19.236 -4.484 -14.530 0.00 0.00 WAT1 ATOM 1386 H2 TIP3 63 -17.816 -4.680 -15.018 0.00 0.00 WAT1 ATOM 1387 OH2 TIP3 64 -17.703 4.867 -12.298 0.00 0.00 WAT1 ATOM 1388 H1 TIP3 64 -17.562 4.276 -13.037 0.00 0.00 WAT1 ATOM 1389 H2 TIP3 64 -17.535 5.740 -12.654 0.00 0.00 WAT1 ATOM 1390 OH2 TIP3 65 -15.861 1.207 -14.232 0.00 0.00 WAT1 ATOM 1391 H1 TIP3 65 -16.512 1.902 -14.143 0.00 0.00 WAT1 ATOM 1392 H2 TIP3 65 -15.396 1.417 -15.042 0.00 0.00 WAT1 ATOM 1393 OH2 TIP3 66 -19.927 0.213 -12.506 0.00 0.00 WAT1 ATOM 1394 H1 TIP3 66 -19.846 0.976 -11.934 0.00 0.00 WAT1 ATOM 1395 H2 TIP3 66 -20.527 0.492 -13.197 0.00 0.00 WAT1 ATOM 1396 OH2 TIP3 67 -15.148 7.548 -10.721 0.00 0.00 WAT1 ATOM 1397 H1 TIP3 67 -15.197 6.593 -10.758 0.00 0.00 WAT1 ATOM 1398 H2 TIP3 67 -15.974 7.816 -10.319 0.00 0.00 WAT1 ATOM 1399 OH2 TIP3 68 -20.239 -2.627 -12.020 0.00 0.00 WAT1 ATOM 1400 H1 TIP3 68 -20.753 -2.753 -11.223 0.00 0.00 WAT1 ATOM 1401 H2 TIP3 68 -20.393 -1.715 -12.265 0.00 0.00 WAT1 ATOM 1402 OH2 TIP3 69 -23.502 -0.327 -9.936 0.00 0.00 WAT1 ATOM 1403 H1 TIP3 69 -24.064 -1.031 -9.616 0.00 0.00 WAT1 ATOM 1404 H2 TIP3 69 -22.675 -0.447 -9.469 0.00 0.00 WAT1 ATOM 1405 OH2 TIP3 70 -15.603 4.589 -10.778 0.00 0.00 WAT1 ATOM 1406 H1 TIP3 70 -16.455 4.827 -11.145 0.00 0.00 WAT1 ATOM 1407 H2 TIP3 70 -15.013 4.572 -11.531 0.00 0.00 WAT1 ATOM 1408 OH2 TIP3 71 -22.566 -3.852 -13.637 0.00 0.00 WAT1 ATOM 1409 H1 TIP3 71 -21.867 -3.778 -12.987 0.00 0.00 WAT1 ATOM 1410 H2 TIP3 71 -22.947 -4.716 -13.482 0.00 0.00 WAT1 ATOM 1411 OH2 TIP3 72 -22.733 2.589 -8.713 0.00 0.00 WAT1 ATOM 1412 H1 TIP3 72 -21.779 2.673 -8.741 0.00 0.00 WAT1 ATOM 1413 H2 TIP3 72 -22.893 1.878 -8.094 0.00 0.00 WAT1 ATOM 1414 OH2 TIP3 73 -21.003 -0.903 -8.148 0.00 0.00 WAT1 ATOM 1415 H1 TIP3 73 -20.811 -1.834 -8.259 0.00 0.00 WAT1 ATOM 1416 H2 TIP3 73 -20.145 -0.478 -8.158 0.00 0.00 WAT1 ATOM 1417 OH2 TIP3 74 -19.687 1.886 -10.070 0.00 0.00 WAT1 ATOM 1418 H1 TIP3 74 -19.968 2.595 -10.648 0.00 0.00 WAT1 ATOM 1419 H2 TIP3 74 -18.744 1.813 -10.221 0.00 0.00 WAT1 ATOM 1420 OH2 TIP3 75 -24.931 -2.379 -9.421 0.00 0.00 WAT1 ATOM 1421 H1 TIP3 75 -25.166 -2.599 -8.519 0.00 0.00 WAT1 ATOM 1422 H2 TIP3 75 -25.713 -2.586 -9.930 0.00 0.00 WAT1 ATOM 1423 OH2 TIP3 76 -22.215 -3.252 -10.345 0.00 0.00 WAT1 ATOM 1424 H1 TIP3 76 -23.163 -3.220 -10.213 0.00 0.00 WAT1 ATOM 1425 H2 TIP3 76 -21.902 -3.877 -9.691 0.00 0.00 WAT1 ATOM 1426 OH2 TIP3 77 -17.422 5.435 -8.178 0.00 0.00 WAT1 ATOM 1427 H1 TIP3 77 -18.288 5.330 -7.784 0.00 0.00 WAT1 ATOM 1428 H2 TIP3 77 -17.047 6.194 -7.731 0.00 0.00 WAT1 ATOM 1429 OH2 TIP3 78 -17.084 2.236 -10.638 0.00 0.00 WAT1 ATOM 1430 H1 TIP3 78 -16.502 1.502 -10.447 0.00 0.00 WAT1 ATOM 1431 H2 TIP3 78 -16.520 3.008 -10.592 0.00 0.00 WAT1 ATOM 1432 OH2 TIP3 79 -15.588 0.139 -9.954 0.00 0.00 WAT1 ATOM 1433 H1 TIP3 79 -16.450 -0.240 -10.119 0.00 0.00 WAT1 ATOM 1434 H2 TIP3 79 -14.984 -0.600 -10.028 0.00 0.00 WAT1 ATOM 1435 OH2 TIP3 80 -17.590 -0.833 -13.603 0.00 0.00 WAT1 ATOM 1436 H1 TIP3 80 -18.433 -0.565 -13.237 0.00 0.00 WAT1 ATOM 1437 H2 TIP3 80 -17.146 -0.011 -13.814 0.00 0.00 WAT1 ATOM 1438 OH2 TIP3 81 -16.785 -6.654 -12.081 0.00 0.00 WAT1 ATOM 1439 H1 TIP3 81 -17.599 -6.329 -12.469 0.00 0.00 WAT1 ATOM 1440 H2 TIP3 81 -16.553 -7.414 -12.614 0.00 0.00 WAT1 ATOM 1441 OH2 TIP3 82 -20.677 -7.374 -8.701 0.00 0.00 WAT1 ATOM 1442 H1 TIP3 82 -20.601 -7.800 -7.847 0.00 0.00 WAT1 ATOM 1443 H2 TIP3 82 -19.784 -7.360 -9.043 0.00 0.00 WAT1 ATOM 1444 OH2 TIP3 83 -17.501 8.699 -10.008 0.00 0.00 WAT1 ATOM 1445 H1 TIP3 83 -18.282 8.513 -10.528 0.00 0.00 WAT1 ATOM 1446 H2 TIP3 83 -17.573 9.628 -9.791 0.00 0.00 WAT1 ATOM 1447 OH2 TIP3 84 -21.951 2.585 -1.122 0.00 0.00 WAT1 ATOM 1448 H1 TIP3 84 -21.861 3.529 -1.254 0.00 0.00 WAT1 ATOM 1449 H2 TIP3 84 -22.590 2.310 -1.780 0.00 0.00 WAT1 ATOM 1450 OH2 TIP3 85 -19.312 4.779 0.599 0.00 0.00 WAT1 ATOM 1451 H1 TIP3 85 -19.753 4.059 1.049 0.00 0.00 WAT1 ATOM 1452 H2 TIP3 85 -19.325 5.500 1.229 0.00 0.00 WAT1 ATOM 1453 OH2 TIP3 86 -22.201 9.884 0.811 0.00 0.00 WAT1 ATOM 1454 H1 TIP3 86 -21.581 9.207 0.538 0.00 0.00 WAT1 ATOM 1455 H2 TIP3 86 -22.409 9.666 1.719 0.00 0.00 WAT1 ATOM 1456 OH2 TIP3 87 -24.628 4.273 2.703 0.00 0.00 WAT1 ATOM 1457 H1 TIP3 87 -24.325 3.587 2.109 0.00 0.00 WAT1 ATOM 1458 H2 TIP3 87 -23.907 4.391 3.321 0.00 0.00 WAT1 ATOM 1459 OH2 TIP3 88 -28.332 -3.232 0.303 0.00 0.00 WAT1 ATOM 1460 H1 TIP3 88 -28.290 -2.372 -0.115 0.00 0.00 WAT1 ATOM 1461 H2 TIP3 88 -28.791 -3.784 -0.330 0.00 0.00 WAT1 ATOM 1462 OH2 TIP3 89 -26.556 0.715 0.281 0.00 0.00 WAT1 ATOM 1463 H1 TIP3 89 -25.941 0.189 0.790 0.00 0.00 WAT1 ATOM 1464 H2 TIP3 89 -27.143 0.075 -0.123 0.00 0.00 WAT1 ATOM 1465 OH2 TIP3 90 -29.523 -4.314 4.377 0.00 0.00 WAT1 ATOM 1466 H1 TIP3 90 -29.742 -3.784 3.611 0.00 0.00 WAT1 ATOM 1467 H2 TIP3 90 -30.191 -4.087 5.025 0.00 0.00 WAT1 ATOM 1468 OH2 TIP3 91 -22.154 5.186 -2.079 0.00 0.00 WAT1 ATOM 1469 H1 TIP3 91 -22.450 4.864 -2.930 0.00 0.00 WAT1 ATOM 1470 H2 TIP3 91 -22.477 6.086 -2.037 0.00 0.00 WAT1 ATOM 1471 OH2 TIP3 92 -26.954 3.362 4.665 0.00 0.00 WAT1 ATOM 1472 H1 TIP3 92 -27.694 3.960 4.768 0.00 0.00 WAT1 ATOM 1473 H2 TIP3 92 -26.239 3.916 4.349 0.00 0.00 WAT1 ATOM 1474 OH2 TIP3 93 -18.800 6.619 2.947 0.00 0.00 WAT1 ATOM 1475 H1 TIP3 93 -19.742 6.677 3.108 0.00 0.00 WAT1 ATOM 1476 H2 TIP3 93 -18.523 7.525 2.810 0.00 0.00 WAT1 ATOM 1477 OH2 TIP3 94 -20.547 8.400 -0.428 0.00 0.00 WAT1 ATOM 1478 H1 TIP3 94 -20.123 7.693 -0.913 0.00 0.00 WAT1 ATOM 1479 H2 TIP3 94 -20.230 9.201 -0.845 0.00 0.00 WAT1 ATOM 1480 OH2 TIP3 95 -19.389 6.301 -1.919 0.00 0.00 WAT1 ATOM 1481 H1 TIP3 95 -19.645 5.611 -2.531 0.00 0.00 WAT1 ATOM 1482 H2 TIP3 95 -19.318 5.858 -1.074 0.00 0.00 WAT1 ATOM 1483 OH2 TIP3 96 -23.230 1.829 -3.670 0.00 0.00 WAT1 ATOM 1484 H1 TIP3 96 -23.942 2.364 -4.021 0.00 0.00 WAT1 ATOM 1485 H2 TIP3 96 -22.538 1.885 -4.330 0.00 0.00 WAT1 ATOM 1486 OH2 TIP3 97 -23.175 0.287 -6.631 0.00 0.00 WAT1 ATOM 1487 H1 TIP3 97 -22.474 0.309 -5.980 0.00 0.00 WAT1 ATOM 1488 H2 TIP3 97 -22.873 -0.341 -7.287 0.00 0.00 WAT1 ATOM 1489 OH2 TIP3 98 -19.823 2.039 -2.718 0.00 0.00 WAT1 ATOM 1490 H1 TIP3 98 -20.556 2.267 -2.145 0.00 0.00 WAT1 ATOM 1491 H2 TIP3 98 -19.377 1.325 -2.263 0.00 0.00 WAT1 ATOM 1492 OH2 TIP3 99 -26.812 6.097 1.846 0.00 0.00 WAT1 ATOM 1493 H1 TIP3 99 -26.907 5.519 1.089 0.00 0.00 WAT1 ATOM 1494 H2 TIP3 99 -26.082 5.726 2.342 0.00 0.00 WAT1 ATOM 1495 OH2 TIP3 100 -27.812 1.438 2.798 0.00 0.00 WAT1 ATOM 1496 H1 TIP3 100 -27.247 1.559 2.035 0.00 0.00 WAT1 ATOM 1497 H2 TIP3 100 -27.492 2.075 3.437 0.00 0.00 WAT1 ATOM 1498 OH2 TIP3 101 -21.503 6.941 3.532 0.00 0.00 WAT1 ATOM 1499 H1 TIP3 101 -21.744 7.603 4.180 0.00 0.00 WAT1 ATOM 1500 H2 TIP3 101 -21.701 6.107 3.957 0.00 0.00 WAT1 ATOM 1501 OH2 TIP3 102 -26.931 5.837 7.515 0.00 0.00 WAT1 ATOM 1502 H1 TIP3 102 -27.244 6.619 7.971 0.00 0.00 WAT1 ATOM 1503 H2 TIP3 102 -27.582 5.684 6.829 0.00 0.00 WAT1 ATOM 1504 OH2 TIP3 103 -20.953 1.201 -5.033 0.00 0.00 WAT1 ATOM 1505 H1 TIP3 103 -20.373 1.351 -4.286 0.00 0.00 WAT1 ATOM 1506 H2 TIP3 103 -20.538 1.672 -5.756 0.00 0.00 WAT1 ATOM 1507 OH2 TIP3 104 -23.227 7.938 -1.598 0.00 0.00 WAT1 ATOM 1508 H1 TIP3 104 -22.753 8.233 -0.820 0.00 0.00 WAT1 ATOM 1509 H2 TIP3 104 -23.790 8.676 -1.831 0.00 0.00 WAT1 ATOM 1510 OH2 TIP3 105 -16.065 7.317 -6.843 0.00 0.00 WAT1 ATOM 1511 H1 TIP3 105 -15.992 8.256 -6.673 0.00 0.00 WAT1 ATOM 1512 H2 TIP3 105 -15.160 7.012 -6.900 0.00 0.00 WAT1 ATOM 1513 OH2 TIP3 106 -24.169 7.122 7.011 0.00 0.00 WAT1 ATOM 1514 H1 TIP3 106 -24.082 7.948 7.486 0.00 0.00 WAT1 ATOM 1515 H2 TIP3 106 -25.032 6.792 7.260 0.00 0.00 WAT1 ATOM 1516 OH2 TIP3 107 -20.652 10.048 -6.180 0.00 0.00 WAT1 ATOM 1517 H1 TIP3 107 -20.277 9.304 -6.651 0.00 0.00 WAT1 ATOM 1518 H2 TIP3 107 -20.648 9.778 -5.262 0.00 0.00 WAT1 ATOM 1519 OH2 TIP3 108 -20.983 9.974 -3.431 0.00 0.00 WAT1 ATOM 1520 H1 TIP3 108 -21.919 10.074 -3.252 0.00 0.00 WAT1 ATOM 1521 H2 TIP3 108 -20.704 9.265 -2.853 0.00 0.00 WAT1 ATOM 1522 OH2 TIP3 109 -28.227 -6.105 2.608 0.00 0.00 WAT1 ATOM 1523 H1 TIP3 109 -29.088 -6.192 2.200 0.00 0.00 WAT1 ATOM 1524 H2 TIP3 109 -28.250 -5.249 3.035 0.00 0.00 WAT1 ATOM 1525 OH2 TIP3 110 -19.476 2.234 -7.403 0.00 0.00 WAT1 ATOM 1526 H1 TIP3 110 -19.434 2.011 -8.333 0.00 0.00 WAT1 ATOM 1527 H2 TIP3 110 -18.627 2.632 -7.213 0.00 0.00 WAT1 ATOM 1528 OH2 TIP3 111 -23.902 -3.890 -6.733 0.00 0.00 WAT1 ATOM 1529 H1 TIP3 111 -24.157 -3.871 -5.810 0.00 0.00 WAT1 ATOM 1530 H2 TIP3 111 -24.160 -4.762 -7.034 0.00 0.00 WAT1 ATOM 1531 OH2 TIP3 112 -28.137 -1.139 3.703 0.00 0.00 WAT1 ATOM 1532 H1 TIP3 112 -28.779 -1.180 4.412 0.00 0.00 WAT1 ATOM 1533 H2 TIP3 112 -28.099 -0.213 3.465 0.00 0.00 WAT1 ATOM 1534 OH2 TIP3 113 -28.140 -0.918 -1.385 0.00 0.00 WAT1 ATOM 1535 H1 TIP3 113 -29.032 -1.259 -1.444 0.00 0.00 WAT1 ATOM 1536 H2 TIP3 113 -27.689 -1.295 -2.141 0.00 0.00 WAT1 ATOM 1537 OH2 TIP3 114 -23.502 -0.327 8.920 0.00 0.00 WAT1 ATOM 1538 H1 TIP3 114 -24.064 -1.031 9.240 0.00 0.00 WAT1 ATOM 1539 H2 TIP3 114 -22.675 -0.447 9.387 0.00 0.00 WAT1 ATOM 1540 OH2 TIP3 115 -25.558 -3.491 -0.299 0.00 0.00 WAT1 ATOM 1541 H1 TIP3 115 -26.468 -3.434 -0.010 0.00 0.00 WAT1 ATOM 1542 H2 TIP3 115 -25.053 -3.551 0.512 0.00 0.00 WAT1 ATOM 1543 OH2 TIP3 116 -27.076 -1.862 -3.816 0.00 0.00 WAT1 ATOM 1544 H1 TIP3 116 -26.145 -1.733 -3.638 0.00 0.00 WAT1 ATOM 1545 H2 TIP3 116 -27.291 -1.192 -4.465 0.00 0.00 WAT1 ATOM 1546 OH2 TIP3 117 -17.866 11.416 9.242 0.00 0.00 WAT1 ATOM 1547 H1 TIP3 117 -17.666 11.840 8.407 0.00 0.00 WAT1 ATOM 1548 H2 TIP3 117 -17.209 11.759 9.849 0.00 0.00 WAT1 ATOM 1549 OH2 TIP3 118 -21.169 -3.288 -6.114 0.00 0.00 WAT1 ATOM 1550 H1 TIP3 118 -22.108 -3.176 -6.265 0.00 0.00 WAT1 ATOM 1551 H2 TIP3 118 -20.873 -2.431 -5.808 0.00 0.00 WAT1 ATOM 1552 OH2 TIP3 119 -23.547 4.082 6.924 0.00 0.00 WAT1 ATOM 1553 H1 TIP3 119 -23.893 3.701 7.730 0.00 0.00 WAT1 ATOM 1554 H2 TIP3 119 -23.748 5.016 6.995 0.00 0.00 WAT1 ATOM 1555 OH2 TIP3 120 -22.942 5.357 -5.288 0.00 0.00 WAT1 ATOM 1556 H1 TIP3 120 -23.236 6.183 -4.906 0.00 0.00 WAT1 ATOM 1557 H2 TIP3 120 -23.645 4.737 -5.092 0.00 0.00 WAT1 ATOM 1558 OH2 TIP3 121 -25.918 1.171 8.984 0.00 0.00 WAT1 ATOM 1559 H1 TIP3 121 -26.213 1.005 8.089 0.00 0.00 WAT1 ATOM 1560 H2 TIP3 121 -24.986 0.951 8.974 0.00 0.00 WAT1 ATOM 1561 OH2 TIP3 122 -21.297 6.544 6.874 0.00 0.00 WAT1 ATOM 1562 H1 TIP3 122 -22.198 6.727 6.606 0.00 0.00 WAT1 ATOM 1563 H2 TIP3 122 -21.264 6.803 7.795 0.00 0.00 WAT1 ATOM 1564 OH2 TIP3 123 -17.270 7.575 -4.294 0.00 0.00 WAT1 ATOM 1565 H1 TIP3 123 -17.643 6.749 -3.984 0.00 0.00 WAT1 ATOM 1566 H2 TIP3 123 -16.994 7.392 -5.191 0.00 0.00 WAT1 ATOM 1567 OH2 TIP3 124 -26.140 4.374 -1.563 0.00 0.00 WAT1 ATOM 1568 H1 TIP3 124 -26.381 5.299 -1.521 0.00 0.00 WAT1 ATOM 1569 H2 TIP3 124 -26.881 3.915 -1.167 0.00 0.00 WAT1 ATOM 1570 OH2 TIP3 125 -19.879 5.551 -6.473 0.00 0.00 WAT1 ATOM 1571 H1 TIP3 125 -19.526 5.171 -5.669 0.00 0.00 WAT1 ATOM 1572 H2 TIP3 125 -20.828 5.458 -6.387 0.00 0.00 WAT1 ATOM 1573 OH2 TIP3 126 -19.422 9.174 6.922 0.00 0.00 WAT1 ATOM 1574 H1 TIP3 126 -20.024 8.619 6.427 0.00 0.00 WAT1 ATOM 1575 H2 TIP3 126 -19.142 9.841 6.296 0.00 0.00 WAT1 ATOM 1576 OH2 TIP3 127 -15.375 10.031 -6.272 0.00 0.00 WAT1 ATOM 1577 H1 TIP3 127 -14.632 10.617 -6.412 0.00 0.00 WAT1 ATOM 1578 H2 TIP3 127 -16.069 10.599 -5.939 0.00 0.00 WAT1 ATOM 1579 OH2 TIP3 128 -24.582 -2.472 -2.849 0.00 0.00 WAT1 ATOM 1580 H1 TIP3 128 -23.770 -1.968 -2.803 0.00 0.00 WAT1 ATOM 1581 H2 TIP3 128 -24.826 -2.617 -1.935 0.00 0.00 WAT1 ATOM 1582 OH2 TIP3 129 -23.698 -5.391 -1.911 0.00 0.00 WAT1 ATOM 1583 H1 TIP3 129 -24.044 -4.773 -1.266 0.00 0.00 WAT1 ATOM 1584 H2 TIP3 129 -23.040 -4.890 -2.392 0.00 0.00 WAT1 ATOM 1585 OH2 TIP3 130 -18.152 9.428 2.889 0.00 0.00 WAT1 ATOM 1586 H1 TIP3 130 -18.309 10.106 2.232 0.00 0.00 WAT1 ATOM 1587 H2 TIP3 130 -17.221 9.500 3.092 0.00 0.00 WAT1 ATOM 1588 OH2 TIP3 131 -21.265 7.398 9.466 0.00 0.00 WAT1 ATOM 1589 H1 TIP3 131 -21.616 6.542 9.709 0.00 0.00 WAT1 ATOM 1590 H2 TIP3 131 -20.538 7.541 10.073 0.00 0.00 WAT1 ATOM 1591 OH2 TIP3 132 -19.145 8.343 -7.654 0.00 0.00 WAT1 ATOM 1592 H1 TIP3 132 -18.863 7.549 -7.201 0.00 0.00 WAT1 ATOM 1593 H2 TIP3 132 -18.405 8.576 -8.215 0.00 0.00 WAT1 ATOM 1594 OH2 TIP3 133 -25.877 3.879 9.504 0.00 0.00 WAT1 ATOM 1595 H1 TIP3 133 -26.204 4.150 8.646 0.00 0.00 WAT1 ATOM 1596 H2 TIP3 133 -25.724 2.938 9.416 0.00 0.00 WAT1 ATOM 1597 OH2 TIP3 134 -27.753 0.118 6.865 0.00 0.00 WAT1 ATOM 1598 H1 TIP3 134 -28.370 0.793 7.146 0.00 0.00 WAT1 ATOM 1599 H2 TIP3 134 -27.409 0.439 6.032 0.00 0.00 WAT1 ATOM 1600 OH2 TIP3 135 -22.733 2.589 10.143 0.00 0.00 WAT1 ATOM 1601 H1 TIP3 135 -21.779 2.673 10.115 0.00 0.00 WAT1 ATOM 1602 H2 TIP3 135 -22.893 1.878 10.762 0.00 0.00 WAT1 ATOM 1603 OH2 TIP3 136 -27.413 -2.527 7.948 0.00 0.00 WAT1 ATOM 1604 H1 TIP3 136 -27.262 -3.256 7.345 0.00 0.00 WAT1 ATOM 1605 H2 TIP3 136 -27.410 -1.750 7.389 0.00 0.00 WAT1 ATOM 1606 OH2 TIP3 137 -27.001 -4.157 5.440 0.00 0.00 WAT1 ATOM 1607 H1 TIP3 137 -26.465 -3.706 4.788 0.00 0.00 WAT1 ATOM 1608 H2 TIP3 137 -27.852 -4.265 5.018 0.00 0.00 WAT1 ATOM 1609 OH2 TIP3 138 -26.195 -6.701 5.872 0.00 0.00 WAT1 ATOM 1610 H1 TIP3 138 -26.293 -5.754 5.766 0.00 0.00 WAT1 ATOM 1611 H2 TIP3 138 -26.938 -7.073 5.396 0.00 0.00 WAT1 ATOM 1612 OH2 TIP3 139 -24.931 -2.379 9.435 0.00 0.00 WAT1 ATOM 1613 H1 TIP3 139 -25.166 -2.599 10.337 0.00 0.00 WAT1 ATOM 1614 H2 TIP3 139 -25.713 -2.586 8.926 0.00 0.00 WAT1 ATOM 1615 OH2 TIP3 140 -25.973 -7.407 8.543 0.00 0.00 WAT1 ATOM 1616 H1 TIP3 140 -25.261 -8.047 8.529 0.00 0.00 WAT1 ATOM 1617 H2 TIP3 140 -26.073 -7.140 7.629 0.00 0.00 WAT1 ATOM 1618 OH2 TIP3 141 -25.620 -5.724 10.597 0.00 0.00 WAT1 ATOM 1619 H1 TIP3 141 -25.750 -6.200 9.776 0.00 0.00 WAT1 ATOM 1620 H2 TIP3 141 -26.218 -4.980 10.541 0.00 0.00 WAT1 ATOM 1621 OH2 TIP3 142 -21.453 9.694 4.690 0.00 0.00 WAT1 ATOM 1622 H1 TIP3 142 -22.357 9.859 4.424 0.00 0.00 WAT1 ATOM 1623 H2 TIP3 142 -21.023 10.547 4.624 0.00 0.00 WAT1 ATOM 1624 OH2 TIP3 143 -18.848 11.264 4.985 0.00 0.00 WAT1 ATOM 1625 H1 TIP3 143 -19.029 12.180 4.774 0.00 0.00 WAT1 ATOM 1626 H2 TIP3 143 -18.672 10.854 4.138 0.00 0.00 WAT1 ATOM 1627 OH2 TIP3 144 -26.450 -6.644 -1.267 0.00 0.00 WAT1 ATOM 1628 H1 TIP3 144 -25.576 -6.256 -1.297 0.00 0.00 WAT1 ATOM 1629 H2 TIP3 144 -26.585 -6.859 -0.344 0.00 0.00 WAT1 ATOM 1630 OH2 TIP3 145 -25.306 -4.564 -4.377 0.00 0.00 WAT1 ATOM 1631 H1 TIP3 145 -25.128 -5.210 -3.694 0.00 0.00 WAT1 ATOM 1632 H2 TIP3 145 -25.360 -3.730 -3.910 0.00 0.00 WAT1 ATOM 1633 OH2 TIP3 146 -17.501 8.699 8.848 0.00 0.00 WAT1 ATOM 1634 H1 TIP3 146 -18.282 8.513 8.328 0.00 0.00 WAT1 ATOM 1635 H2 TIP3 146 -17.573 9.628 9.065 0.00 0.00 WAT1 ATOM 1636 OH2 TIP3 147 -21.951 2.585 17.734 0.00 0.00 WAT1 ATOM 1637 H1 TIP3 147 -21.861 3.529 17.602 0.00 0.00 WAT1 ATOM 1638 H2 TIP3 147 -22.590 2.310 17.076 0.00 0.00 WAT1 ATOM 1639 OH2 TIP3 148 -19.312 4.779 19.455 0.00 0.00 WAT1 ATOM 1640 H1 TIP3 148 -19.753 4.059 19.905 0.00 0.00 WAT1 ATOM 1641 H2 TIP3 148 -19.325 5.500 20.085 0.00 0.00 WAT1 ATOM 1642 OH2 TIP3 149 -20.611 -3.101 17.560 0.00 0.00 WAT1 ATOM 1643 H1 TIP3 149 -19.965 -3.430 18.185 0.00 0.00 WAT1 ATOM 1644 H2 TIP3 149 -20.101 -2.583 16.937 0.00 0.00 WAT1 ATOM 1645 OH2 TIP3 150 -22.154 5.186 16.777 0.00 0.00 WAT1 ATOM 1646 H1 TIP3 150 -22.450 4.864 15.926 0.00 0.00 WAT1 ATOM 1647 H2 TIP3 150 -22.477 6.086 16.819 0.00 0.00 WAT1 ATOM 1648 OH2 TIP3 151 -18.846 -3.810 19.541 0.00 0.00 WAT1 ATOM 1649 H1 TIP3 151 -19.062 -4.576 20.073 0.00 0.00 WAT1 ATOM 1650 H2 TIP3 151 -18.191 -3.338 20.054 0.00 0.00 WAT1 ATOM 1651 OH2 TIP3 152 -19.389 6.301 16.937 0.00 0.00 WAT1 ATOM 1652 H1 TIP3 152 -19.645 5.611 16.325 0.00 0.00 WAT1 ATOM 1653 H2 TIP3 152 -19.318 5.858 17.782 0.00 0.00 WAT1 ATOM 1654 OH2 TIP3 153 -23.230 1.829 15.186 0.00 0.00 WAT1 ATOM 1655 H1 TIP3 153 -23.942 2.364 14.835 0.00 0.00 WAT1 ATOM 1656 H2 TIP3 153 -22.538 1.885 14.526 0.00 0.00 WAT1 ATOM 1657 OH2 TIP3 154 -23.175 0.287 12.225 0.00 0.00 WAT1 ATOM 1658 H1 TIP3 154 -22.474 0.309 12.876 0.00 0.00 WAT1 ATOM 1659 H2 TIP3 154 -22.873 -0.341 11.569 0.00 0.00 WAT1 ATOM 1660 OH2 TIP3 155 -19.823 2.039 16.138 0.00 0.00 WAT1 ATOM 1661 H1 TIP3 155 -20.556 2.267 16.711 0.00 0.00 WAT1 ATOM 1662 H2 TIP3 155 -19.377 1.325 16.593 0.00 0.00 WAT1 ATOM 1663 OH2 TIP3 156 -20.652 10.048 12.676 0.00 0.00 WAT1 ATOM 1664 H1 TIP3 156 -20.277 9.304 12.205 0.00 0.00 WAT1 ATOM 1665 H2 TIP3 156 -20.648 9.778 13.594 0.00 0.00 WAT1 ATOM 1666 OH2 TIP3 157 -22.604 -0.502 16.288 0.00 0.00 WAT1 ATOM 1667 H1 TIP3 157 -23.012 0.313 15.996 0.00 0.00 WAT1 ATOM 1668 H2 TIP3 157 -21.884 -0.642 15.673 0.00 0.00 WAT1 ATOM 1669 OH2 TIP3 158 -21.599 -1.056 19.102 0.00 0.00 WAT1 ATOM 1670 H1 TIP3 158 -21.794 -0.451 18.387 0.00 0.00 WAT1 ATOM 1671 H2 TIP3 158 -21.418 -1.890 18.667 0.00 0.00 WAT1 ATOM 1672 OH2 TIP3 159 -27.021 -3.445 11.224 0.00 0.00 WAT1 ATOM 1673 H1 TIP3 159 -27.451 -3.890 11.954 0.00 0.00 WAT1 ATOM 1674 H2 TIP3 159 -27.739 -3.073 10.712 0.00 0.00 WAT1 ATOM 1675 OH2 TIP3 160 -25.558 -3.491 18.557 0.00 0.00 WAT1 ATOM 1676 H1 TIP3 160 -26.468 -3.434 18.846 0.00 0.00 WAT1 ATOM 1677 H2 TIP3 160 -25.053 -3.551 19.368 0.00 0.00 WAT1 ATOM 1678 OH2 TIP3 161 -27.076 -1.862 15.040 0.00 0.00 WAT1 ATOM 1679 H1 TIP3 161 -26.145 -1.733 15.218 0.00 0.00 WAT1 ATOM 1680 H2 TIP3 161 -27.291 -1.192 14.391 0.00 0.00 WAT1 ATOM 1681 OH2 TIP3 162 -22.942 5.357 13.568 0.00 0.00 WAT1 ATOM 1682 H1 TIP3 162 -23.236 6.183 13.950 0.00 0.00 WAT1 ATOM 1683 H2 TIP3 162 -23.645 4.737 13.764 0.00 0.00 WAT1 ATOM 1684 OH2 TIP3 163 -17.270 7.575 14.562 0.00 0.00 WAT1 ATOM 1685 H1 TIP3 163 -17.643 6.749 14.872 0.00 0.00 WAT1 ATOM 1686 H2 TIP3 163 -16.994 7.392 13.665 0.00 0.00 WAT1 ATOM 1687 OH2 TIP3 164 -15.375 10.031 12.584 0.00 0.00 WAT1 ATOM 1688 H1 TIP3 164 -14.632 10.617 12.444 0.00 0.00 WAT1 ATOM 1689 H2 TIP3 164 -16.069 10.599 12.917 0.00 0.00 WAT1 ATOM 1690 OH2 TIP3 165 -24.582 -2.472 16.007 0.00 0.00 WAT1 ATOM 1691 H1 TIP3 165 -23.770 -1.968 16.053 0.00 0.00 WAT1 ATOM 1692 H2 TIP3 165 -24.826 -2.617 16.921 0.00 0.00 WAT1 ATOM 1693 OH2 TIP3 166 -23.698 -5.391 16.945 0.00 0.00 WAT1 ATOM 1694 H1 TIP3 166 -24.044 -4.773 17.590 0.00 0.00 WAT1 ATOM 1695 H2 TIP3 166 -23.040 -4.890 16.464 0.00 0.00 WAT1 ATOM 1696 OH2 TIP3 167 -28.041 -4.328 13.633 0.00 0.00 WAT1 ATOM 1697 H1 TIP3 167 -28.123 -3.439 13.979 0.00 0.00 WAT1 ATOM 1698 H2 TIP3 167 -27.151 -4.593 13.864 0.00 0.00 WAT1 ATOM 1699 OH2 TIP3 168 -19.239 0.172 20.123 0.00 0.00 WAT1 ATOM 1700 H1 TIP3 168 -20.037 -0.243 19.794 0.00 0.00 WAT1 ATOM 1701 H2 TIP3 168 -18.794 -0.519 20.614 0.00 0.00 WAT1 ATOM 1702 OH2 TIP3 169 -19.145 8.343 11.202 0.00 0.00 WAT1 ATOM 1703 H1 TIP3 169 -18.863 7.549 11.655 0.00 0.00 WAT1 ATOM 1704 H2 TIP3 169 -18.405 8.576 10.641 0.00 0.00 WAT1 ATOM 1705 OH2 TIP3 170 -22.838 5.300 10.795 0.00 0.00 WAT1 ATOM 1706 H1 TIP3 170 -23.107 5.480 11.696 0.00 0.00 WAT1 ATOM 1707 H2 TIP3 170 -23.044 4.374 10.664 0.00 0.00 WAT1 ATOM 1708 OH2 TIP3 171 -25.971 0.468 11.628 0.00 0.00 WAT1 ATOM 1709 H1 TIP3 171 -26.151 0.314 10.700 0.00 0.00 WAT1 ATOM 1710 H2 TIP3 171 -25.020 0.576 11.672 0.00 0.00 WAT1 ATOM 1711 OH2 TIP3 172 -17.941 0.266 17.435 0.00 0.00 WAT1 ATOM 1712 H1 TIP3 172 -18.090 -0.679 17.415 0.00 0.00 WAT1 ATOM 1713 H2 TIP3 172 -18.294 0.547 18.279 0.00 0.00 WAT1 ATOM 1714 OH2 TIP3 173 -17.619 -1.570 21.333 0.00 0.00 WAT1 ATOM 1715 H1 TIP3 173 -16.686 -1.358 21.299 0.00 0.00 WAT1 ATOM 1716 H2 TIP3 173 -17.854 -1.468 22.256 0.00 0.00 WAT1 ATOM 1717 OH2 TIP3 174 -23.355 -5.205 19.954 0.00 0.00 WAT1 ATOM 1718 H1 TIP3 174 -24.030 -5.834 20.209 0.00 0.00 WAT1 ATOM 1719 H2 TIP3 174 -22.791 -5.689 19.351 0.00 0.00 WAT1 ATOM 1720 OH2 TIP3 175 -18.213 -7.098 20.066 0.00 0.00 WAT1 ATOM 1721 H1 TIP3 175 -17.610 -6.550 19.565 0.00 0.00 WAT1 ATOM 1722 H2 TIP3 175 -19.082 -6.778 19.826 0.00 0.00 WAT1 ATOM 1723 OH2 TIP3 176 -20.893 -6.614 19.238 0.00 0.00 WAT1 ATOM 1724 H1 TIP3 176 -20.817 -6.519 18.289 0.00 0.00 WAT1 ATOM 1725 H2 TIP3 176 -21.169 -7.522 19.367 0.00 0.00 WAT1 ATOM 1726 OH2 TIP3 177 -25.306 -4.564 14.479 0.00 0.00 WAT1 ATOM 1727 H1 TIP3 177 -25.128 -5.210 15.162 0.00 0.00 WAT1 ATOM 1728 H2 TIP3 177 -25.360 -3.730 14.946 0.00 0.00 WAT1 ATOM 1729 OH2 TIP3 178 -16.718 9.948 15.554 0.00 0.00 WAT1 ATOM 1730 H1 TIP3 178 -16.913 9.200 14.989 0.00 0.00 WAT1 ATOM 1731 H2 TIP3 178 -16.758 10.706 14.970 0.00 0.00 WAT1 ATOM 1732 OH2 TIP3 179 -15.306 12.003 -8.249 0.00 0.00 WAT1 ATOM 1733 H1 TIP3 179 -14.957 11.349 -8.855 0.00 0.00 WAT1 ATOM 1734 H2 TIP3 179 -15.160 12.840 -8.689 0.00 0.00 WAT1 ATOM 1735 OH2 TIP3 180 -15.966 14.730 3.564 0.00 0.00 WAT1 ATOM 1736 H1 TIP3 180 -15.917 15.340 4.300 0.00 0.00 WAT1 ATOM 1737 H2 TIP3 180 -15.540 15.191 2.841 0.00 0.00 WAT1 ATOM 1738 OH2 TIP3 181 -20.611 15.755 -1.296 0.00 0.00 WAT1 ATOM 1739 H1 TIP3 181 -19.965 15.426 -0.671 0.00 0.00 WAT1 ATOM 1740 H2 TIP3 181 -20.101 16.273 -1.919 0.00 0.00 WAT1 ATOM 1741 OH2 TIP3 182 -15.574 16.208 5.800 0.00 0.00 WAT1 ATOM 1742 H1 TIP3 182 -16.263 16.866 5.705 0.00 0.00 WAT1 ATOM 1743 H2 TIP3 182 -15.559 16.011 6.737 0.00 0.00 WAT1 ATOM 1744 OH2 TIP3 183 -18.846 15.046 0.685 0.00 0.00 WAT1 ATOM 1745 H1 TIP3 183 -19.062 14.280 1.217 0.00 0.00 WAT1 ATOM 1746 H2 TIP3 183 -18.191 15.518 1.198 0.00 0.00 WAT1 ATOM 1747 OH2 TIP3 184 -18.500 13.761 4.364 0.00 0.00 WAT1 ATOM 1748 H1 TIP3 184 -19.236 14.372 4.326 0.00 0.00 WAT1 ATOM 1749 H2 TIP3 184 -17.816 14.176 3.838 0.00 0.00 WAT1 ATOM 1750 OH2 TIP3 185 -17.255 11.807 -5.220 0.00 0.00 WAT1 ATOM 1751 H1 TIP3 185 -18.154 11.946 -4.925 0.00 0.00 WAT1 ATOM 1752 H2 TIP3 185 -17.003 12.638 -5.622 0.00 0.00 WAT1 ATOM 1753 OH2 TIP3 186 -21.152 14.600 2.965 0.00 0.00 WAT1 ATOM 1754 H1 TIP3 186 -21.829 14.731 3.629 0.00 0.00 WAT1 ATOM 1755 H2 TIP3 186 -21.639 14.445 2.155 0.00 0.00 WAT1 ATOM 1756 OH2 TIP3 187 -17.841 15.277 7.171 0.00 0.00 WAT1 ATOM 1757 H1 TIP3 187 -18.758 15.540 7.083 0.00 0.00 WAT1 ATOM 1758 H2 TIP3 187 -17.506 15.274 6.274 0.00 0.00 WAT1 ATOM 1759 OH2 TIP3 188 -18.230 16.705 -2.959 0.00 0.00 WAT1 ATOM 1760 H1 TIP3 188 -17.951 15.798 -2.834 0.00 0.00 WAT1 ATOM 1761 H2 TIP3 188 -17.471 17.139 -3.348 0.00 0.00 WAT1 ATOM 1762 OH2 TIP3 189 -17.619 17.286 2.477 0.00 0.00 WAT1 ATOM 1763 H1 TIP3 189 -16.686 17.498 2.443 0.00 0.00 WAT1 ATOM 1764 H2 TIP3 189 -17.854 17.388 3.400 0.00 0.00 WAT1 ATOM 1765 OH2 TIP3 190 -15.306 12.003 10.607 0.00 0.00 WAT1 ATOM 1766 H1 TIP3 190 -14.957 11.349 10.001 0.00 0.00 WAT1 ATOM 1767 H2 TIP3 190 -15.160 12.840 10.167 0.00 0.00 WAT1 ATOM 1768 OH2 TIP3 191 -17.617 13.968 -2.910 0.00 0.00 WAT1 ATOM 1769 H1 TIP3 191 -17.434 13.519 -2.085 0.00 0.00 WAT1 ATOM 1770 H2 TIP3 191 -18.216 13.383 -3.374 0.00 0.00 WAT1 ATOM 1771 OH2 TIP3 192 -15.787 14.112 8.956 0.00 0.00 WAT1 ATOM 1772 H1 TIP3 192 -16.704 14.383 8.920 0.00 0.00 WAT1 ATOM 1773 H2 TIP3 192 -15.664 13.577 8.172 0.00 0.00 WAT1 ATOM 1774 OH2 TIP3 193 -15.751 14.035 -6.382 0.00 0.00 WAT1 ATOM 1775 H1 TIP3 193 -15.338 13.314 -6.858 0.00 0.00 WAT1 ATOM 1776 H2 TIP3 193 -15.069 14.705 -6.324 0.00 0.00 WAT1 ATOM 1777 OH2 TIP3 194 -20.893 12.242 0.382 0.00 0.00 WAT1 ATOM 1778 H1 TIP3 194 -20.817 12.337 -0.567 0.00 0.00 WAT1 ATOM 1779 H2 TIP3 194 -21.169 11.334 0.511 0.00 0.00 WAT1 ATOM 1780 OH2 TIP3 195 -19.540 12.268 -3.925 0.00 0.00 WAT1 ATOM 1781 H1 TIP3 195 -20.242 12.882 -4.135 0.00 0.00 WAT1 ATOM 1782 H2 TIP3 195 -19.985 11.430 -3.794 0.00 0.00 WAT1 ATOM 1783 OH2 TIP3 196 -17.255 11.807 13.636 0.00 0.00 WAT1 ATOM 1784 H1 TIP3 196 -18.154 11.946 13.931 0.00 0.00 WAT1 ATOM 1785 H2 TIP3 196 -17.003 12.638 13.234 0.00 0.00 WAT1 ATOM 1786 OH2 TIP3 197 -17.863 15.150 10.931 0.00 0.00 WAT1 ATOM 1787 H1 TIP3 197 -17.253 14.778 11.568 0.00 0.00 WAT1 ATOM 1788 H2 TIP3 197 -18.700 14.728 11.127 0.00 0.00 WAT1 ATOM 1789 OH2 TIP3 198 -15.751 14.035 12.474 0.00 0.00 WAT1 ATOM 1790 H1 TIP3 198 -15.338 13.314 11.998 0.00 0.00 WAT1 ATOM 1791 H2 TIP3 198 -15.069 14.705 12.532 0.00 0.00 WAT1 ATOM 1792 OH2 TIP3 199 -0.455 -14.077 -18.257 0.00 0.00 WAT1 ATOM 1793 H1 TIP3 199 -0.896 -14.797 -17.807 0.00 0.00 WAT1 ATOM 1794 H2 TIP3 199 -0.468 -13.356 -17.627 0.00 0.00 WAT1 ATOM 1795 OH2 TIP3 200 -3.344 -8.972 -18.045 0.00 0.00 WAT1 ATOM 1796 H1 TIP3 200 -2.724 -9.649 -18.318 0.00 0.00 WAT1 ATOM 1797 H2 TIP3 200 -3.552 -9.190 -17.137 0.00 0.00 WAT1 ATOM 1798 OH2 TIP3 201 3.282 -21.504 -13.056 0.00 0.00 WAT1 ATOM 1799 H1 TIP3 201 2.593 -20.846 -13.151 0.00 0.00 WAT1 ATOM 1800 H2 TIP3 201 3.298 -21.701 -12.119 0.00 0.00 WAT1 ATOM 1801 OH2 TIP3 202 0.057 -12.237 -15.909 0.00 0.00 WAT1 ATOM 1802 H1 TIP3 202 -0.885 -12.179 -15.748 0.00 0.00 WAT1 ATOM 1803 H2 TIP3 202 0.333 -11.331 -16.046 0.00 0.00 WAT1 ATOM 1804 OH2 TIP3 203 -1.691 -10.456 -19.284 0.00 0.00 WAT1 ATOM 1805 H1 TIP3 203 -1.266 -11.163 -19.769 0.00 0.00 WAT1 ATOM 1806 H2 TIP3 203 -1.374 -9.655 -19.701 0.00 0.00 WAT1 ATOM 1807 OH2 TIP3 204 -0.532 -12.555 -20.775 0.00 0.00 WAT1 ATOM 1808 H1 TIP3 204 -0.789 -13.245 -21.387 0.00 0.00 WAT1 ATOM 1809 H2 TIP3 204 -0.462 -12.998 -19.930 0.00 0.00 WAT1 ATOM 1810 OH2 TIP3 205 2.996 -17.649 -14.232 0.00 0.00 WAT1 ATOM 1811 H1 TIP3 205 2.344 -16.954 -14.143 0.00 0.00 WAT1 ATOM 1812 H2 TIP3 205 3.461 -17.439 -15.042 0.00 0.00 WAT1 ATOM 1813 OH2 TIP3 206 -1.071 -18.643 -12.506 0.00 0.00 WAT1 ATOM 1814 H1 TIP3 206 -0.990 -17.880 -11.934 0.00 0.00 WAT1 ATOM 1815 H2 TIP3 206 -1.671 -18.364 -13.197 0.00 0.00 WAT1 ATOM 1816 OH2 TIP3 207 -2.646 -11.915 -15.324 0.00 0.00 WAT1 ATOM 1817 H1 TIP3 207 -2.887 -11.253 -14.676 0.00 0.00 WAT1 ATOM 1818 H2 TIP3 207 -2.844 -12.749 -14.899 0.00 0.00 WAT1 ATOM 1819 OH2 TIP3 208 -8.075 -13.019 -11.341 0.00 0.00 WAT1 ATOM 1820 H1 TIP3 208 -8.387 -12.237 -10.885 0.00 0.00 WAT1 ATOM 1821 H2 TIP3 208 -8.726 -13.172 -12.027 0.00 0.00 WAT1 ATOM 1822 OH2 TIP3 209 -5.312 -11.734 -11.845 0.00 0.00 WAT1 ATOM 1823 H1 TIP3 209 -5.225 -10.908 -11.370 0.00 0.00 WAT1 ATOM 1824 H2 TIP3 209 -6.176 -12.064 -11.596 0.00 0.00 WAT1 ATOM 1825 OH2 TIP3 210 0.861 -19.815 -10.241 0.00 0.00 WAT1 ATOM 1826 H1 TIP3 210 0.454 -19.334 -10.961 0.00 0.00 WAT1 ATOM 1827 H2 TIP3 210 0.902 -20.720 -10.548 0.00 0.00 WAT1 ATOM 1828 OH2 TIP3 211 0.939 -15.825 -14.383 0.00 0.00 WAT1 ATOM 1829 H1 TIP3 211 1.581 -15.368 -14.926 0.00 0.00 WAT1 ATOM 1830 H2 TIP3 211 0.109 -15.712 -14.845 0.00 0.00 WAT1 ATOM 1831 OH2 TIP3 212 -4.691 -14.774 -11.932 0.00 0.00 WAT1 ATOM 1832 H1 TIP3 212 -5.037 -15.155 -11.126 0.00 0.00 WAT1 ATOM 1833 H2 TIP3 212 -4.891 -13.840 -11.861 0.00 0.00 WAT1 ATOM 1834 OH2 TIP3 213 1.586 -11.281 -23.150 0.00 0.00 WAT1 ATOM 1835 H1 TIP3 213 1.213 -12.107 -22.840 0.00 0.00 WAT1 ATOM 1836 H2 TIP3 213 1.863 -11.464 -24.047 0.00 0.00 WAT1 ATOM 1837 OH2 TIP3 214 -1.254 -16.473 -16.128 0.00 0.00 WAT1 ATOM 1838 H1 TIP3 214 -2.182 -16.705 -16.155 0.00 0.00 WAT1 ATOM 1839 H2 TIP3 214 -0.803 -17.250 -16.458 0.00 0.00 WAT1 ATOM 1840 OH2 TIP3 215 -6.769 -10.333 -14.104 0.00 0.00 WAT1 ATOM 1841 H1 TIP3 215 -6.406 -9.478 -14.337 0.00 0.00 WAT1 ATOM 1842 H2 TIP3 215 -6.237 -10.625 -13.363 0.00 0.00 WAT1 ATOM 1843 OH2 TIP3 216 -3.225 -14.234 -14.403 0.00 0.00 WAT1 ATOM 1844 H1 TIP3 216 -3.651 -14.461 -13.577 0.00 0.00 WAT1 ATOM 1845 H2 TIP3 216 -2.644 -14.972 -14.586 0.00 0.00 WAT1 ATOM 1846 OH2 TIP3 217 -13.582 -8.757 -9.739 0.00 0.00 WAT1 ATOM 1847 H1 TIP3 217 -13.043 -8.974 -8.980 0.00 0.00 WAT1 ATOM 1848 H2 TIP3 217 -14.064 -9.563 -9.929 0.00 0.00 WAT1 ATOM 1849 OH2 TIP3 218 -8.986 -9.838 -8.119 0.00 0.00 WAT1 ATOM 1850 H1 TIP3 218 -8.217 -10.297 -7.778 0.00 0.00 WAT1 ATOM 1851 H2 TIP3 218 -9.006 -10.064 -9.049 0.00 0.00 WAT1 ATOM 1852 OH2 TIP3 219 -1.285 -15.061 -11.969 0.00 0.00 WAT1 ATOM 1853 H1 TIP3 219 -0.540 -14.473 -12.089 0.00 0.00 WAT1 ATOM 1854 H2 TIP3 219 -2.042 -14.479 -11.906 0.00 0.00 WAT1 ATOM 1855 OH2 TIP3 220 -3.876 -16.267 -8.713 0.00 0.00 WAT1 ATOM 1856 H1 TIP3 220 -2.923 -16.183 -8.741 0.00 0.00 WAT1 ATOM 1857 H2 TIP3 220 -4.037 -16.978 -8.094 0.00 0.00 WAT1 ATOM 1858 OH2 TIP3 221 -2.146 -19.759 -8.148 0.00 0.00 WAT1 ATOM 1859 H1 TIP3 221 -1.954 -20.690 -8.259 0.00 0.00 WAT1 ATOM 1860 H2 TIP3 221 -1.289 -19.334 -8.158 0.00 0.00 WAT1 ATOM 1861 OH2 TIP3 222 -0.830 -16.970 -10.070 0.00 0.00 WAT1 ATOM 1862 H1 TIP3 222 -1.111 -16.261 -10.648 0.00 0.00 WAT1 ATOM 1863 H2 TIP3 222 0.113 -17.043 -10.221 0.00 0.00 WAT1 ATOM 1864 OH2 TIP3 223 1.772 -16.620 -10.638 0.00 0.00 WAT1 ATOM 1865 H1 TIP3 223 2.355 -17.354 -10.447 0.00 0.00 WAT1 ATOM 1866 H2 TIP3 223 2.336 -15.848 -10.592 0.00 0.00 WAT1 ATOM 1867 OH2 TIP3 224 3.269 -18.717 -9.954 0.00 0.00 WAT1 ATOM 1868 H1 TIP3 224 2.406 -19.096 -10.119 0.00 0.00 WAT1 ATOM 1869 H2 TIP3 224 3.872 -19.456 -10.028 0.00 0.00 WAT1 ATOM 1870 OH2 TIP3 225 1.267 -19.689 -13.603 0.00 0.00 WAT1 ATOM 1871 H1 TIP3 225 0.424 -19.421 -13.237 0.00 0.00 WAT1 ATOM 1872 H2 TIP3 225 1.710 -18.867 -13.814 0.00 0.00 WAT1 ATOM 1873 OH2 TIP3 226 0.158 -8.688 -20.166 0.00 0.00 WAT1 ATOM 1874 H1 TIP3 226 0.811 -9.035 -20.774 0.00 0.00 WAT1 ATOM 1875 H2 TIP3 226 0.668 -8.199 -19.520 0.00 0.00 WAT1 ATOM 1876 OH2 TIP3 227 -12.457 -11.759 -9.623 0.00 0.00 WAT1 ATOM 1877 H1 TIP3 227 -13.278 -11.584 -10.083 0.00 0.00 WAT1 ATOM 1878 H2 TIP3 227 -12.709 -11.832 -8.702 0.00 0.00 WAT1 ATOM 1879 OH2 TIP3 228 -12.101 -7.528 -13.317 0.00 0.00 WAT1 ATOM 1880 H1 TIP3 228 -12.822 -7.088 -13.768 0.00 0.00 WAT1 ATOM 1881 H2 TIP3 228 -12.467 -7.779 -12.468 0.00 0.00 WAT1 ATOM 1882 OH2 TIP3 229 -9.634 -7.928 -14.287 0.00 0.00 WAT1 ATOM 1883 H1 TIP3 229 -10.499 -7.856 -13.883 0.00 0.00 WAT1 ATOM 1884 H2 TIP3 229 -9.689 -7.381 -15.071 0.00 0.00 WAT1 ATOM 1885 OH2 TIP3 230 -4.923 -8.040 -15.111 0.00 0.00 WAT1 ATOM 1886 H1 TIP3 230 -5.380 -7.511 -15.765 0.00 0.00 WAT1 ATOM 1887 H2 TIP3 230 -4.760 -7.437 -14.386 0.00 0.00 WAT1 ATOM 1888 OH2 TIP3 231 2.138 -8.908 -22.158 0.00 0.00 WAT1 ATOM 1889 H1 TIP3 231 1.944 -9.656 -22.723 0.00 0.00 WAT1 ATOM 1890 H2 TIP3 231 2.099 -8.150 -22.742 0.00 0.00 WAT1 ATOM 1891 OH2 TIP3 232 -3.094 -16.271 -1.122 0.00 0.00 WAT1 ATOM 1892 H1 TIP3 232 -3.005 -15.327 -1.254 0.00 0.00 WAT1 ATOM 1893 H2 TIP3 232 -3.733 -16.546 -1.780 0.00 0.00 WAT1 ATOM 1894 OH2 TIP3 233 -4.162 -17.016 2.297 0.00 0.00 WAT1 ATOM 1895 H1 TIP3 233 -4.199 -17.662 3.002 0.00 0.00 WAT1 ATOM 1896 H2 TIP3 233 -4.484 -17.482 1.526 0.00 0.00 WAT1 ATOM 1897 OH2 TIP3 234 -11.793 -17.401 3.890 0.00 0.00 WAT1 ATOM 1898 H1 TIP3 234 -11.752 -18.027 4.614 0.00 0.00 WAT1 ATOM 1899 H2 TIP3 234 -11.090 -16.778 4.072 0.00 0.00 WAT1 ATOM 1900 OH2 TIP3 235 -0.455 -14.077 0.599 0.00 0.00 WAT1 ATOM 1901 H1 TIP3 235 -0.896 -14.797 1.049 0.00 0.00 WAT1 ATOM 1902 H2 TIP3 235 -0.468 -13.356 1.229 0.00 0.00 WAT1 ATOM 1903 OH2 TIP3 236 -13.550 -17.129 -0.056 0.00 0.00 WAT1 ATOM 1904 H1 TIP3 236 -13.335 -17.899 0.471 0.00 0.00 WAT1 ATOM 1905 H2 TIP3 236 -12.811 -17.040 -0.659 0.00 0.00 WAT1 ATOM 1906 OH2 TIP3 237 -12.857 -19.691 1.065 0.00 0.00 WAT1 ATOM 1907 H1 TIP3 237 -12.203 -20.241 1.497 0.00 0.00 WAT1 ATOM 1908 H2 TIP3 237 -12.832 -19.965 0.149 0.00 0.00 WAT1 ATOM 1909 OH2 TIP3 238 -7.700 -18.141 0.281 0.00 0.00 WAT1 ATOM 1910 H1 TIP3 238 -7.085 -18.667 0.790 0.00 0.00 WAT1 ATOM 1911 H2 TIP3 238 -8.287 -18.781 -0.123 0.00 0.00 WAT1 ATOM 1912 OH2 TIP3 239 -13.569 -13.859 -3.766 0.00 0.00 WAT1 ATOM 1913 H1 TIP3 239 -13.840 -13.630 -4.655 0.00 0.00 WAT1 ATOM 1914 H2 TIP3 239 -13.523 -13.021 -3.306 0.00 0.00 WAT1 ATOM 1915 OH2 TIP3 240 0.057 -12.237 2.947 0.00 0.00 WAT1 ATOM 1916 H1 TIP3 240 -0.885 -12.179 3.108 0.00 0.00 WAT1 ATOM 1917 H2 TIP3 240 0.333 -11.331 2.810 0.00 0.00 WAT1 ATOM 1918 OH2 TIP3 241 1.154 -13.989 6.558 0.00 0.00 WAT1 ATOM 1919 H1 TIP3 241 1.293 -14.580 5.819 0.00 0.00 WAT1 ATOM 1920 H2 TIP3 241 1.322 -13.116 6.202 0.00 0.00 WAT1 ATOM 1921 OH2 TIP3 242 -4.373 -17.027 -3.670 0.00 0.00 WAT1 ATOM 1922 H1 TIP3 242 -5.085 -16.492 -4.021 0.00 0.00 WAT1 ATOM 1923 H2 TIP3 242 -3.682 -16.971 -4.330 0.00 0.00 WAT1 ATOM 1924 OH2 TIP3 243 -4.319 -18.569 -6.631 0.00 0.00 WAT1 ATOM 1925 H1 TIP3 243 -3.618 -18.547 -5.980 0.00 0.00 WAT1 ATOM 1926 H2 TIP3 243 -4.018 -19.197 -7.287 0.00 0.00 WAT1 ATOM 1927 OH2 TIP3 244 -9.322 -16.187 -0.835 0.00 0.00 WAT1 ATOM 1928 H1 TIP3 244 -9.652 -16.557 -1.654 0.00 0.00 WAT1 ATOM 1929 H2 TIP3 244 -8.735 -16.857 -0.489 0.00 0.00 WAT1 ATOM 1930 OH2 TIP3 245 -8.956 -17.418 2.798 0.00 0.00 WAT1 ATOM 1931 H1 TIP3 245 -8.390 -17.297 2.035 0.00 0.00 WAT1 ATOM 1932 H2 TIP3 245 -8.636 -16.781 3.437 0.00 0.00 WAT1 ATOM 1933 OH2 TIP3 246 -2.096 -17.655 -5.033 0.00 0.00 WAT1 ATOM 1934 H1 TIP3 246 -1.518 -17.505 -4.286 0.00 0.00 WAT1 ATOM 1935 H2 TIP3 246 -1.682 -17.184 -5.756 0.00 0.00 WAT1 ATOM 1936 OH2 TIP3 247 -11.155 -16.821 6.744 0.00 0.00 WAT1 ATOM 1937 H1 TIP3 247 -11.085 -16.170 7.442 0.00 0.00 WAT1 ATOM 1938 H2 TIP3 247 -12.046 -16.718 6.409 0.00 0.00 WAT1 ATOM 1939 OH2 TIP3 248 -4.370 -10.918 -1.598 0.00 0.00 WAT1 ATOM 1940 H1 TIP3 248 -3.896 -10.623 -0.820 0.00 0.00 WAT1 ATOM 1941 H2 TIP3 248 -4.933 -10.180 -1.831 0.00 0.00 WAT1 ATOM 1942 OH2 TIP3 249 -10.332 -17.117 -3.246 0.00 0.00 WAT1 ATOM 1943 H1 TIP3 249 -10.624 -16.349 -3.737 0.00 0.00 WAT1 ATOM 1944 H2 TIP3 249 -11.006 -17.777 -3.409 0.00 0.00 WAT1 ATOM 1945 OH2 TIP3 250 -14.239 -14.754 5.569 0.00 0.00 WAT1 ATOM 1946 H1 TIP3 250 -14.741 -14.782 4.754 0.00 0.00 WAT1 ATOM 1947 H2 TIP3 250 -14.233 -15.660 5.879 0.00 0.00 WAT1 ATOM 1948 OH2 TIP3 251 3.708 -11.308 8.135 0.00 0.00 WAT1 ATOM 1949 H1 TIP3 251 3.660 -12.263 8.098 0.00 0.00 WAT1 ATOM 1950 H2 TIP3 251 2.882 -11.040 8.537 0.00 0.00 WAT1 ATOM 1951 OH2 TIP3 252 -0.619 -16.622 -7.403 0.00 0.00 WAT1 ATOM 1952 H1 TIP3 252 -0.577 -16.845 -8.333 0.00 0.00 WAT1 ATOM 1953 H2 TIP3 252 0.230 -16.224 -7.213 0.00 0.00 WAT1 ATOM 1954 OH2 TIP3 253 -9.280 -19.995 3.703 0.00 0.00 WAT1 ATOM 1955 H1 TIP3 253 -9.922 -20.036 4.412 0.00 0.00 WAT1 ATOM 1956 H2 TIP3 253 -9.243 -19.069 3.465 0.00 0.00 WAT1 ATOM 1957 OH2 TIP3 254 -3.747 -19.358 -2.568 0.00 0.00 WAT1 ATOM 1958 H1 TIP3 254 -4.156 -18.543 -2.860 0.00 0.00 WAT1 ATOM 1959 H2 TIP3 254 -3.027 -19.498 -3.183 0.00 0.00 WAT1 ATOM 1960 OH2 TIP3 255 -2.743 -19.912 0.246 0.00 0.00 WAT1 ATOM 1961 H1 TIP3 255 -2.938 -19.307 -0.469 0.00 0.00 WAT1 ATOM 1962 H2 TIP3 255 -2.561 -20.746 -0.189 0.00 0.00 WAT1 ATOM 1963 OH2 TIP3 256 -11.530 -19.675 5.570 0.00 0.00 WAT1 ATOM 1964 H1 TIP3 256 -11.569 -19.275 6.438 0.00 0.00 WAT1 ATOM 1965 H2 TIP3 256 -12.021 -20.492 5.660 0.00 0.00 WAT1 ATOM 1966 OH2 TIP3 257 -3.479 -18.274 4.917 0.00 0.00 WAT1 ATOM 1967 H1 TIP3 257 -3.155 -18.905 4.274 0.00 0.00 WAT1 ATOM 1968 H2 TIP3 257 -3.919 -18.809 5.578 0.00 0.00 WAT1 ATOM 1969 OH2 TIP3 258 -11.412 -14.966 8.850 0.00 0.00 WAT1 ATOM 1970 H1 TIP3 258 -10.678 -14.712 9.411 0.00 0.00 WAT1 ATOM 1971 H2 TIP3 258 -12.191 -14.762 9.365 0.00 0.00 WAT1 ATOM 1972 OH2 TIP3 259 -6.212 -14.958 -4.313 0.00 0.00 WAT1 ATOM 1973 H1 TIP3 259 -6.955 -15.465 -4.636 0.00 0.00 WAT1 ATOM 1974 H2 TIP3 259 -6.345 -14.909 -3.367 0.00 0.00 WAT1 ATOM 1975 OH2 TIP3 260 0.939 -15.825 4.473 0.00 0.00 WAT1 ATOM 1976 H1 TIP3 260 1.581 -15.368 3.930 0.00 0.00 WAT1 ATOM 1977 H2 TIP3 260 0.109 -15.712 4.011 0.00 0.00 WAT1 ATOM 1978 OH2 TIP3 261 -1.595 -20.277 -4.453 0.00 0.00 WAT1 ATOM 1979 H1 TIP3 261 -0.704 -20.414 -4.134 0.00 0.00 WAT1 ATOM 1980 H2 TIP3 261 -1.538 -19.486 -4.990 0.00 0.00 WAT1 ATOM 1981 OH2 TIP3 262 -11.087 -15.663 1.456 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 262 -10.341 -15.665 0.855 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 262 -11.008 -16.487 1.938 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 263 -14.078 -17.202 6.771 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 263 -13.855 -17.620 7.603 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 263 -14.680 -17.815 6.349 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 264 -7.061 -17.685 8.984 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 264 -7.357 -17.851 8.089 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 264 -6.130 -17.905 8.974 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 265 3.289 -20.067 -4.759 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 265 2.736 -20.463 -5.431 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 265 3.391 -19.157 -5.036 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 266 -1.254 -16.473 2.728 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 266 -2.182 -16.705 2.701 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 266 -0.803 -17.250 2.398 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 267 -7.284 -14.482 -1.563 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 267 -7.525 -13.557 -1.521 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 267 -8.024 -14.941 -1.167 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 268 -6.931 -12.193 -8.026 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 268 -6.692 -12.941 -8.574 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 268 -7.200 -12.581 -7.194 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 269 -7.995 -12.623 -5.570 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 269 -7.848 -13.143 -4.780 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 269 -7.997 -11.716 -5.264 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 270 -11.541 -15.370 -5.060 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 270 -12.227 -15.018 -4.493 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 270 -11.018 -14.607 -5.306 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 271 -5.256 -10.925 -4.821 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 271 -6.074 -10.428 -4.768 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 271 -4.728 -10.450 -5.461 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 272 -0.383 -18.684 1.267 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 272 -1.180 -19.099 0.938 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 272 0.062 -19.375 1.758 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 273 -10.925 -12.756 -6.163 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 273 -10.334 -12.057 -5.887 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 273 -10.466 -13.189 -6.882 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 274 -2.408 -11.458 9.466 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 274 -2.759 -12.314 9.709 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 274 -1.682 -11.315 10.073 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 275 -13.675 -14.947 10.071 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 275 -13.531 -15.849 9.785 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 275 -14.448 -14.661 9.583 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 276 -9.335 -14.603 -7.797 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 276 -9.271 -15.397 -7.266 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 276 -8.681 -14.722 -8.486 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 277 -7.021 -14.977 9.504 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 277 -7.348 -14.706 8.646 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 277 -6.869 -15.918 9.416 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 278 -3.982 -13.556 -8.061 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 278 -4.250 -13.376 -7.160 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 278 -4.188 -14.482 -8.192 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 279 -1.285 -15.061 6.887 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 279 -0.540 -14.473 6.767 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 279 -2.042 -14.479 6.950 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 280 -12.843 -17.747 9.491 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 280 -12.435 -18.604 9.370 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 280 -13.104 -17.732 10.412 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 281 -8.185 -16.631 -5.491 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 281 -8.645 -17.115 -4.805 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 281 -7.931 -17.299 -6.127 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 282 -8.896 -18.738 6.865 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 282 -9.514 -18.063 7.146 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 282 -8.553 -18.417 6.032 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 283 -3.876 -16.267 10.143 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 283 -2.923 -16.183 10.115 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 283 -4.037 -16.978 10.762 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 284 -6.562 -17.574 5.680 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 284 -5.811 -17.730 5.107 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 284 -6.901 -16.722 5.404 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 285 -13.648 -13.061 -6.744 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 285 -12.735 -12.982 -6.471 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 285 -13.642 -13.748 -7.411 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 286 2.983 -9.211 6.040 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 286 2.496 -9.946 5.669 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 286 3.532 -9.604 6.718 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 287 3.128 -17.111 -1.984 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 287 2.403 -17.590 -1.586 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 287 3.710 -16.905 -1.252 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 288 2.888 -14.326 2.964 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 288 3.721 -14.704 2.683 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 288 3.000 -13.383 2.845 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 289 1.375 -11.448 5.271 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 289 0.727 -11.123 5.896 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 289 0.857 -11.888 4.596 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 290 3.397 -17.210 -5.593 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 290 2.875 -16.853 -6.312 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 290 3.364 -16.535 -4.915 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 291 1.746 -19.970 -7.042 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 291 1.843 -19.303 -7.722 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 291 1.606 -20.786 -7.524 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 292 0.916 -18.590 -1.421 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 292 0.766 -19.535 -1.441 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 292 0.562 -18.309 -0.577 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 293 -14.049 -16.512 2.589 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 293 -13.866 -16.594 1.654 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 293 -13.200 -16.636 3.013 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 294 0.626 -21.007 -2.959 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 294 0.905 -21.914 -2.834 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 294 1.385 -20.573 -3.348 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 295 -11.617 -8.761 -7.354 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 295 -11.886 -8.474 -6.481 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 295 -10.846 -9.307 -7.202 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 296 1.356 -10.157 8.848 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 296 0.574 -10.343 8.328 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 296 1.284 -9.228 9.065 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 297 -3.297 -13.670 16.777 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 297 -3.593 -13.992 15.926 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 297 -3.621 -12.770 16.819 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 298 -13.569 -13.859 15.090 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 298 -13.840 -13.630 14.201 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 298 -13.523 -13.021 15.550 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 299 -4.373 -17.027 15.186 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 299 -5.085 -16.492 14.835 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 299 -3.682 -16.971 14.526 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 300 -4.370 -10.918 17.258 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 300 -3.896 -10.623 18.036 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 300 -4.933 -10.180 17.025 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 301 2.792 -11.539 12.013 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 301 2.865 -10.600 12.183 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 301 3.696 -11.844 11.956 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 302 -4.898 -7.962 15.673 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 302 -4.973 -8.083 14.727 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 302 -4.865 -7.012 15.792 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 303 -11.244 -9.173 17.454 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 303 -11.092 -9.521 18.333 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 303 -12.095 -9.529 17.199 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 304 -1.796 -8.808 12.676 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 304 -1.421 -9.552 12.205 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 304 -1.792 -9.078 13.594 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 305 -2.127 -8.882 15.425 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 305 -3.062 -8.782 15.604 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 305 -1.847 -9.591 16.003 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 306 -6.212 -14.958 14.543 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 306 -6.955 -15.465 14.220 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 306 -6.345 -14.909 15.489 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 307 -4.085 -13.499 13.568 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 307 -4.380 -12.673 13.950 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 307 -4.788 -14.119 13.764 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 308 1.586 -11.281 14.562 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 308 1.213 -12.107 14.872 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 308 1.863 -11.464 13.665 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 309 -8.711 -12.145 17.717 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 309 -8.184 -11.372 17.516 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 309 -9.591 -11.920 17.415 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 310 -7.284 -14.482 17.293 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 310 -7.525 -13.557 17.335 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 310 -8.024 -14.941 17.689 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 311 -8.601 -9.460 16.838 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 311 -9.550 -9.355 16.890 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 311 -8.249 -8.640 17.183 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 312 -1.022 -13.305 12.383 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 312 -0.669 -13.685 13.187 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 312 -1.971 -13.398 12.469 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 313 3.481 -8.825 12.584 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 313 4.224 -8.239 12.444 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 313 2.787 -8.257 12.917 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 314 -11.541 -15.370 13.796 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 314 -12.227 -15.018 14.363 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 314 -11.018 -14.607 13.550 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 315 -10.925 -12.756 12.693 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 315 -10.334 -12.057 12.969 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 315 -10.466 -13.189 11.974 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 316 -12.872 -11.370 16.643 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 316 -13.703 -10.897 16.670 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 316 -12.325 -10.860 16.044 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 317 -0.289 -10.513 11.202 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 317 -0.006 -11.307 11.655 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 317 0.450 -10.280 10.641 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 318 -9.335 -14.603 11.059 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 318 -9.271 -15.397 11.590 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 318 -8.681 -14.722 10.370 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 319 -8.185 -16.631 13.365 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 319 -8.645 -17.115 14.051 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 319 -7.931 -17.299 12.729 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 320 -7.114 -18.388 11.628 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 320 -7.294 -18.542 10.700 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 320 -6.163 -18.280 11.672 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 321 -13.648 -13.061 12.112 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 321 -12.735 -12.982 12.385 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 321 -13.642 -13.748 11.445 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 322 -14.130 -9.587 18.994 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 322 -14.463 -10.468 19.166 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 322 -13.907 -9.242 19.858 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 323 0.158 -8.688 17.546 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 323 0.811 -9.035 16.938 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 323 0.668 -8.199 18.192 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 324 -13.435 -9.681 14.477 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 324 -14.120 -9.719 13.809 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 324 -13.433 -8.768 14.765 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 325 2.138 -8.908 15.554 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 325 1.944 -9.656 14.989 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 325 2.099 -8.150 14.970 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 326 -4.162 1.840 -16.559 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 326 -4.199 1.194 -15.854 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 326 -4.484 1.374 -17.330 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 327 -11.793 1.455 -14.966 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 327 -11.752 0.829 -14.242 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 327 -11.090 2.078 -14.784 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 328 -10.869 5.905 -16.431 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 328 -11.239 5.103 -16.800 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 328 -9.928 5.736 -16.384 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 329 -5.772 4.273 -16.153 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 329 -5.468 3.587 -16.747 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 329 -5.050 4.391 -15.535 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 330 2.891 -4.126 -15.292 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 330 2.939 -3.516 -14.556 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 330 3.317 -3.665 -16.015 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 331 -2.631 -1.333 -15.825 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 331 -2.488 -2.280 -15.805 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 331 -2.737 -1.126 -16.754 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 332 3.282 -2.648 -13.056 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 332 2.593 -1.990 -13.151 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 332 3.298 -2.845 -12.119 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 333 -10.666 -4.314 -14.479 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 333 -10.886 -3.784 -15.245 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 333 -11.334 -4.087 -13.831 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 334 -8.098 3.362 -14.191 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 334 -8.838 3.960 -14.088 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 334 -7.383 3.916 -14.507 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 335 0.010 -3.810 -18.171 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 335 -0.205 -4.576 -17.639 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 335 0.666 -3.338 -17.658 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 336 -11.072 -2.422 -16.526 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 336 -10.459 -1.789 -16.153 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 336 -10.560 -2.894 -17.183 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 337 0.057 6.619 -15.909 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 337 -0.885 6.677 -15.748 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 337 0.333 7.525 -16.046 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 338 0.357 -5.095 -14.492 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 338 -0.379 -4.484 -14.530 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 338 1.041 -4.680 -15.018 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 339 1.154 4.867 -12.298 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 339 1.293 4.276 -13.037 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 339 1.322 5.740 -12.654 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 340 2.996 1.207 -14.232 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 340 2.344 1.902 -14.143 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 340 3.461 1.417 -15.042 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 341 -1.071 0.213 -12.506 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 341 -0.990 0.976 -11.934 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 341 -1.671 0.492 -13.197 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 342 -7.955 6.097 -17.010 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 342 -8.050 5.519 -17.767 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 342 -7.226 5.726 -16.514 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 343 -8.956 1.438 -16.058 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 343 -8.390 1.559 -16.821 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 343 -8.636 2.075 -15.419 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 344 -2.646 6.941 -15.324 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 344 -2.887 7.603 -14.676 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 344 -2.844 6.107 -14.899 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 345 -9.837 7.909 -10.577 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 345 -9.829 7.773 -11.525 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 345 -10.752 7.791 -10.325 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 346 -14.239 4.102 -13.287 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 346 -14.741 4.074 -14.102 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 346 -14.233 3.196 -12.977 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 347 3.708 7.548 -10.721 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 347 3.660 6.593 -10.758 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 347 2.882 7.816 -10.319 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 348 -9.371 -6.105 -16.248 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 348 -10.232 -6.192 -16.656 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 348 -9.393 -5.249 -15.821 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 349 -4.708 -6.383 -12.874 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 349 -4.288 -6.798 -12.121 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 349 -5.641 -6.561 -12.757 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 350 -9.280 -1.139 -15.153 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 350 -9.922 -1.180 -14.444 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 350 -9.243 -0.213 -15.391 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 351 -11.530 -0.819 -13.286 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 351 -11.569 -0.419 -12.418 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 351 -12.021 -1.636 -13.196 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 352 -3.479 0.582 -13.939 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 352 -3.155 -0.049 -14.582 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 352 -3.919 0.047 -13.278 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 353 -2.296 -4.256 -15.891 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 353 -2.973 -4.125 -15.227 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 353 -2.782 -4.411 -16.701 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 354 -5.381 -0.703 -17.268 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 354 -4.817 -1.250 -17.815 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 354 -5.529 -1.225 -16.479 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 355 -6.755 -2.315 -14.854 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 355 -7.590 -1.861 -14.744 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 355 -6.231 -2.039 -14.102 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 356 0.939 3.031 -14.383 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 356 1.581 3.488 -14.926 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 356 0.109 3.144 -14.845 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 357 -11.087 3.193 -17.400 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 357 -10.341 3.191 -18.001 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 357 -11.008 2.369 -16.918 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 358 -14.078 1.654 -12.085 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 358 -13.855 1.236 -11.253 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 358 -14.680 1.041 -12.507 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 359 3.253 4.589 -10.778 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 359 2.401 4.827 -11.145 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 359 3.843 4.572 -11.531 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 360 -1.254 2.383 -16.128 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 360 -2.182 2.151 -16.155 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 360 -0.803 1.606 -16.458 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 361 -6.769 8.523 -14.104 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 361 -6.406 9.378 -14.337 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 361 -6.237 8.231 -13.363 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 362 -3.225 4.622 -14.403 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 362 -3.651 4.395 -13.577 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 362 -2.644 3.884 -14.586 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 363 -0.566 9.174 -11.934 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 363 -1.168 8.619 -12.429 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 363 -0.285 9.841 -12.560 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 364 -12.444 -3.593 -12.527 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 364 -13.337 -3.254 -12.594 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 364 -12.543 -4.448 -12.109 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 365 -12.793 8.212 -14.092 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 365 -12.576 7.280 -14.123 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 365 -12.546 8.486 -13.208 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 366 -3.709 -3.852 -13.637 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 366 -3.011 -3.778 -12.987 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 366 -4.090 -4.716 -13.482 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 367 -5.189 -1.486 -12.520 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 367 -5.071 -0.912 -11.763 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 367 -4.534 -2.174 -12.405 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 368 1.014 -3.579 -11.685 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 368 0.099 -3.316 -11.773 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 368 1.351 -3.582 -12.582 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 369 -13.582 10.099 -9.739 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 369 -13.043 9.882 -8.980 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 369 -14.064 9.293 -9.929 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 370 -8.145 -4.157 -13.416 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 370 -7.608 -3.706 -14.068 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 370 -8.996 -4.265 -13.838 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 371 -7.338 -6.701 -12.984 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 371 -7.436 -5.754 -13.090 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 371 -8.082 -7.073 -13.460 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 372 -7.117 -7.407 -10.313 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 372 -6.404 -8.047 -10.327 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 372 -7.217 -7.140 -11.227 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 373 1.434 5.435 -8.178 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 373 0.567 5.330 -7.784 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 373 1.809 6.194 -7.731 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 374 2.888 4.530 -15.892 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 374 3.721 4.152 -16.173 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 374 3.000 5.473 -16.011 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 375 1.375 7.408 -13.585 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 375 0.727 7.733 -12.960 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 375 0.857 6.968 -14.260 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 376 -14.049 2.344 -16.267 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 376 -13.866 2.262 -17.202 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 376 -13.200 2.220 -15.843 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 377 1.772 2.236 -10.638 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 377 2.355 1.502 -10.447 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 377 2.336 3.008 -10.592 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 378 3.269 0.139 -9.954 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 378 2.406 -0.240 -10.119 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 378 3.872 -0.600 -10.028 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 379 1.267 -0.833 -13.603 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 379 0.424 -0.565 -13.237 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 379 1.710 -0.011 -13.814 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 380 -14.649 -6.078 -13.767 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 380 -15.314 -6.324 -13.124 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 380 -15.093 -5.456 -14.344 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 381 -9.503 8.072 -13.364 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 381 -9.928 8.881 -13.647 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 381 -8.598 8.157 -13.666 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 382 -5.192 9.471 -10.405 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 382 -5.007 9.137 -9.527 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 382 -4.345 9.780 -10.727 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 383 -2.847 10.756 -11.161 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 383 -2.170 10.124 -11.401 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 383 -2.525 11.158 -10.353 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 384 -4.923 10.816 -15.111 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 384 -5.380 11.345 -15.765 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 384 -4.760 11.419 -14.386 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 385 -2.596 9.694 -14.166 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 385 -3.500 9.859 -14.432 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 385 -2.167 10.547 -14.232 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 386 0.643 -7.098 -17.646 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 386 1.247 -6.550 -18.147 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 386 -0.226 -6.778 -17.886 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 387 2.370 -5.959 -19.312 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 387 2.981 -6.473 -19.839 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 387 2.753 -5.081 -19.289 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 388 -2.036 -6.614 -18.474 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 388 -1.960 -6.519 -19.423 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 388 -2.312 -7.522 -18.345 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 389 -12.215 -6.057 -10.419 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 389 -12.582 -6.822 -9.976 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 389 -11.302 -6.028 -10.132 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 390 -10.242 -6.706 -8.883 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 390 -9.343 -6.980 -9.068 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 390 -10.628 -7.449 -8.419 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 391 1.356 8.699 -10.008 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 391 0.574 8.513 -10.528 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 391 1.284 9.628 -9.791 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 392 -0.455 4.779 0.599 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 392 -0.896 4.059 1.049 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 392 -0.468 5.500 1.229 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 393 0.057 6.619 2.947 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 393 -0.885 6.677 3.108 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 393 0.333 7.525 2.810 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 394 2.792 7.317 -6.843 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 394 2.865 8.256 -6.673 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 394 3.696 7.012 -6.900 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 395 -4.898 10.894 -3.183 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 395 -4.973 10.773 -4.129 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 395 -4.865 11.844 -3.064 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 396 -1.796 10.048 -6.180 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 396 -1.421 9.304 -6.651 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 396 -1.792 9.778 -5.262 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 397 -2.127 9.974 -3.431 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 397 -3.062 10.074 -3.252 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 397 -1.847 9.265 -2.853 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 398 -0.619 2.234 -7.403 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 398 -0.577 2.011 -8.333 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 398 0.230 2.632 -7.213 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 399 3.289 -1.211 -4.759 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 399 2.736 -1.607 -5.431 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 399 3.391 -0.301 -5.036 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 400 1.586 7.575 -4.294 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 400 1.213 6.749 -3.984 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 400 1.863 7.392 -5.191 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 401 -1.022 5.551 -6.473 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 401 -0.669 5.171 -5.669 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 401 -1.971 5.458 -6.387 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 402 -0.156 4.224 -4.247 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 402 -0.433 3.496 -3.691 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 402 0.771 4.343 -4.041 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 403 0.704 9.428 2.889 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 403 0.548 10.106 2.232 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 403 1.636 9.500 3.092 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 404 -0.289 8.343 -7.654 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 404 -0.006 7.549 -7.201 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 404 0.450 8.576 -8.215 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 405 2.276 2.823 -7.783 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 405 2.003 2.398 -8.596 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 405 2.316 3.754 -8.000 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 406 -7.216 11.159 -6.227 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 406 -6.284 11.317 -6.083 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 406 -7.480 11.834 -6.852 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 407 3.420 10.078 3.118 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 407 3.397 10.263 4.057 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 407 4.109 10.647 2.777 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 408 2.734 3.692 -3.808 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 408 3.585 4.113 -3.680 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 408 2.740 2.952 -3.200 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 409 3.397 1.646 -5.593 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 409 2.875 2.003 -6.312 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 409 3.364 2.321 -4.915 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 410 3.550 -6.853 10.607 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 410 3.900 -7.507 10.001 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 410 3.696 -6.016 10.167 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 411 0.158 10.168 -1.310 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 411 0.811 9.821 -1.918 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 411 0.668 10.657 -0.664 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 412 -2.847 10.756 7.695 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 412 -2.170 10.124 7.455 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 412 -2.525 11.158 8.503 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 413 -2.596 9.694 4.690 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 413 -3.500 9.859 4.424 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 413 -2.167 10.547 4.624 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 414 0.009 11.264 4.985 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 414 -0.173 12.180 4.774 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 414 0.184 10.854 4.138 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 415 -4.571 10.385 -5.982 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 415 -3.705 10.751 -6.160 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 415 -4.818 9.945 -6.795 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 416 2.138 9.948 -3.302 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 416 1.944 9.200 -3.867 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 416 2.099 10.706 -3.886 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 417 -11.617 10.095 -7.354 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 417 -11.886 10.382 -6.481 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 417 -10.846 9.549 -7.202 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 418 -3.094 2.585 17.734 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 418 -3.005 3.529 17.602 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 418 -3.733 2.310 17.076 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 419 -4.162 1.840 21.153 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 419 -4.199 1.194 21.858 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 419 -4.484 1.374 20.382 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 420 -0.455 4.779 19.455 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 420 -0.896 4.059 19.905 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 420 -0.468 5.500 20.085 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 421 -13.550 1.727 18.800 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 421 -13.335 0.957 19.327 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 421 -12.811 1.816 18.197 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 422 -5.772 4.273 21.559 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 422 -5.468 3.587 20.965 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 422 -5.050 4.391 22.177 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 423 -2.631 -1.333 21.887 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 423 -2.488 -2.280 21.907 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 423 -2.737 -1.126 20.958 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 424 -9.476 -3.232 19.159 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 424 -9.433 -2.372 18.741 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 424 -9.934 -3.784 18.526 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 425 -12.857 -0.835 19.921 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 425 -12.203 -1.385 20.353 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 425 -12.832 -1.109 19.005 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 426 -7.700 0.715 19.137 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 426 -7.085 0.189 19.646 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 426 -8.287 0.075 18.733 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 427 -3.297 5.186 16.777 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 427 -3.593 4.864 15.926 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 427 -3.621 6.086 16.819 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 428 0.010 -3.810 19.541 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 428 -0.205 -4.576 20.073 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 428 0.666 -3.338 20.054 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 429 -11.072 -2.422 21.186 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 429 -10.459 -1.789 21.559 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 429 -10.560 -2.894 20.529 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 430 -6.640 -7.008 20.686 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 430 -6.757 -7.957 20.632 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 430 -7.495 -6.676 20.959 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 431 -1.691 8.400 18.428 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 431 -1.266 7.693 17.943 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 431 -1.374 9.201 18.011 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 432 -0.532 6.301 16.937 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 432 -0.789 5.611 16.325 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 432 -0.462 5.858 17.782 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 433 -9.322 2.669 18.021 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 433 -9.652 2.299 17.202 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 433 -8.735 1.999 18.367 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 434 -8.956 1.438 21.654 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 434 -8.390 1.559 20.891 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 434 -8.636 2.075 22.293 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 435 -4.370 7.938 17.258 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 435 -3.896 8.233 18.036 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 435 -4.933 8.676 17.025 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 436 1.602 -7.049 13.636 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 436 0.703 -6.910 13.931 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 436 1.854 -6.218 13.234 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 437 -4.898 10.894 15.673 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 437 -4.973 10.773 14.727 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 437 -4.865 11.844 15.792 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 438 -11.244 9.683 17.454 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 438 -11.092 9.335 18.333 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 438 -12.095 9.327 17.199 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 439 -2.127 9.974 15.425 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 439 -3.062 10.074 15.604 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 439 -1.847 9.265 16.003 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 440 -9.280 -1.139 22.559 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 440 -9.922 -1.180 23.268 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 440 -9.243 -0.213 22.321 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 441 -14.922 -3.703 18.276 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 441 -14.291 -3.732 18.996 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 441 -14.473 -4.128 17.546 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 442 -2.296 -4.256 21.821 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 442 -2.973 -4.125 22.485 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 442 -2.782 -4.411 21.011 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 443 -5.381 -0.703 20.444 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 443 -4.817 -1.250 19.897 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 443 -5.529 -1.225 21.233 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 444 -10.380 -4.567 16.862 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 444 -10.697 -5.469 16.827 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 444 -9.598 -4.565 16.310 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 445 -6.755 -2.315 22.858 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 445 -7.590 -1.861 22.968 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 445 -6.231 -2.039 23.610 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 446 -11.087 3.193 20.312 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 446 -10.341 3.191 19.711 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 446 -11.008 2.369 20.794 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 447 3.289 -1.211 14.097 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 447 2.736 -1.607 13.425 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 447 3.391 -0.301 13.820 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 448 1.586 7.575 14.562 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 448 1.213 6.749 14.872 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 448 1.863 7.392 13.665 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 449 -1.254 2.383 21.584 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 449 -2.182 2.151 21.557 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 449 -0.803 1.606 21.254 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 450 -8.711 6.711 17.717 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 450 -8.184 7.484 17.516 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 450 -9.591 6.936 17.415 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 451 -7.284 4.374 17.293 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 451 -7.525 5.299 17.335 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 451 -8.024 3.915 17.689 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 452 -8.601 9.396 16.838 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 452 -9.550 9.501 16.890 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 452 -8.249 10.216 17.183 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 453 -0.383 0.172 20.123 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 453 -1.180 -0.243 19.794 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 453 0.062 -0.519 20.614 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 454 -11.802 -6.454 20.482 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 454 -12.030 -6.395 19.555 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 454 -12.244 -7.246 20.789 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 455 -12.872 7.486 16.643 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 455 -13.703 7.959 16.670 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 455 -12.325 7.996 16.044 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 456 0.916 0.266 17.435 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 456 0.766 -0.679 17.415 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 456 0.562 0.547 18.279 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 457 -14.049 2.344 21.445 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 457 -13.866 2.262 20.510 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 457 -13.200 2.220 21.869 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 458 1.238 -1.570 21.333 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 458 2.171 -1.358 21.299 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 458 1.003 -1.468 22.256 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 459 1.240 -4.888 15.946 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 459 1.421 -5.337 16.771 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 459 0.639 -5.473 15.482 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 460 -13.230 -4.073 20.477 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 460 -12.785 -4.865 20.779 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 460 -12.764 -3.357 20.908 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 461 -14.927 -1.074 21.546 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 461 -14.434 -1.295 20.756 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 461 -14.564 -0.233 21.827 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 462 -4.499 -5.205 19.954 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 462 -5.175 -5.834 20.209 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 462 -3.935 -5.689 19.351 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 463 0.643 -7.098 20.066 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 463 1.247 -6.550 19.565 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 463 -0.226 -6.778 19.826 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 464 2.370 -5.959 18.400 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 464 2.981 -6.473 17.873 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 464 2.753 -5.081 18.423 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 465 -12.174 -6.571 17.776 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 465 -12.950 -6.805 17.268 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 465 -11.643 -7.368 17.784 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 466 -7.593 -6.644 17.589 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 466 -6.720 -6.256 17.559 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 466 -7.729 -6.859 18.512 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 467 -2.036 -6.614 19.238 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 467 -1.960 -6.519 18.289 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 467 -2.312 -7.522 19.367 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 468 -0.683 -6.588 14.931 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 468 -1.386 -5.974 14.721 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 468 -1.128 -7.426 15.062 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 469 -13.435 9.175 14.477 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 469 -14.120 9.137 13.809 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 469 -13.433 10.088 14.765 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 470 2.138 9.948 15.554 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 470 1.944 9.200 14.989 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 470 2.099 10.706 14.970 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 471 -4.708 12.473 -12.874 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 471 -4.288 12.058 -12.121 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 471 -5.641 12.295 -12.757 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 472 -7.338 12.155 -12.984 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 472 -7.436 13.102 -13.090 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 472 -8.082 11.783 -13.460 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 473 -7.117 11.449 -10.313 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 473 -6.404 10.809 -10.327 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 473 -7.217 11.716 -11.227 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 474 -6.763 13.132 -8.259 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 474 -6.894 12.656 -9.080 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 474 -7.362 13.876 -8.315 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 475 -10.242 12.150 -8.883 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 475 -9.343 11.876 -9.068 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 475 -10.628 11.407 -8.419 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 476 -1.820 11.482 -8.701 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 476 -1.744 11.056 -7.847 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 476 -0.927 11.496 -9.043 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 477 -14.259 18.421 -2.182 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 477 -14.707 19.267 -2.200 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 477 -14.820 17.841 -2.697 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 478 2.891 14.730 3.564 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 478 2.939 15.340 4.300 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 478 3.317 15.191 2.841 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 479 -9.476 15.624 0.303 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 479 -9.433 16.484 -0.115 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 479 -9.934 15.072 -0.330 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 480 -12.857 18.021 1.065 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 480 -12.203 17.471 1.497 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 480 -12.832 17.747 0.149 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 481 3.282 16.208 5.800 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 481 2.593 16.866 5.705 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 481 3.298 16.011 6.737 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 482 -10.666 14.542 4.377 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 482 -10.886 15.072 3.611 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 482 -11.334 14.769 5.025 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 483 -11.072 16.434 2.330 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 483 -10.459 17.067 2.703 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 483 -10.560 15.962 1.673 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 484 0.357 13.761 4.364 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 484 -0.379 14.372 4.326 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 484 1.041 14.176 3.838 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 485 -9.371 12.751 2.608 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 485 -10.232 12.664 2.200 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 485 -9.393 13.607 3.035 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 486 -9.280 17.717 3.703 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 486 -9.922 17.676 4.412 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 486 -9.243 18.643 3.465 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 487 -11.530 18.037 5.570 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 487 -11.569 18.437 6.438 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 487 -12.021 17.220 5.660 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 488 -13.648 15.899 -5.156 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 488 -13.174 16.490 -5.741 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 488 -14.366 16.430 -4.809 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 489 -6.701 15.365 -0.299 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 489 -7.612 15.422 -0.010 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 489 -6.196 15.305 0.512 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 490 -11.873 16.994 -1.472 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 490 -12.762 17.094 -1.812 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 490 -11.578 16.152 -1.818 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 491 -2.296 14.600 2.965 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 491 -2.973 14.731 3.629 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 491 -2.782 14.445 2.155 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 492 -10.380 14.289 -1.994 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 492 -10.697 13.387 -2.029 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 492 -9.598 14.291 -2.546 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 493 -6.755 16.541 4.002 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 493 -7.590 16.995 4.112 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 493 -6.231 16.817 4.754 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 494 -3.709 15.004 5.219 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 494 -3.011 15.078 5.869 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 494 -4.090 14.140 5.374 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 495 -5.189 17.370 6.336 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 495 -5.071 17.944 7.093 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 495 -4.534 16.682 6.451 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 496 -4.841 13.465 -1.911 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 496 -5.188 14.083 -1.266 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 496 -4.183 13.966 -2.392 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 497 -9.184 14.528 -5.223 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 497 -9.268 15.417 -4.877 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 497 -8.294 14.263 -4.992 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 498 1.014 15.277 7.171 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 498 0.099 15.540 7.083 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 498 1.351 15.274 6.274 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 499 -8.556 16.329 7.948 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 499 -8.406 15.600 7.345 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 499 -8.554 17.106 7.389 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 500 -8.145 14.699 5.440 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 500 -7.608 15.150 4.788 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 500 -8.996 14.591 5.018 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 501 -10.079 17.527 9.859 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 501 -10.845 16.995 9.649 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 501 -9.399 17.217 9.260 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 502 -6.074 16.477 9.435 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 502 -6.310 16.257 10.337 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 502 -6.857 16.270 8.926 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 503 -3.358 15.604 8.511 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 503 -4.306 15.636 8.643 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 503 -3.046 14.979 9.165 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 504 -1.724 14.238 10.516 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 504 -1.821 13.286 10.510 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 504 -2.046 14.507 11.377 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 505 -11.898 15.448 9.564 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 505 -11.686 14.741 8.953 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 505 -12.009 15.010 10.408 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 506 -14.451 16.471 8.730 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 506 -13.532 16.349 8.966 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 506 -14.901 15.721 9.119 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 507 -13.230 14.783 1.621 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 507 -12.785 13.991 1.923 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 507 -12.764 15.499 2.052 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 508 -14.927 17.782 2.690 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 508 -14.434 17.561 1.900 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 508 -14.564 18.623 2.971 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 509 3.070 14.112 8.956 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 509 2.152 14.383 8.920 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 509 3.192 13.577 8.172 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 510 -14.613 14.040 -3.255 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 510 -15.538 14.249 -3.385 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 510 -14.160 14.524 -3.945 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 511 -4.499 13.651 1.098 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 511 -5.175 13.022 1.353 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 511 -3.935 13.167 0.495 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 512 0.643 11.758 1.210 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 512 1.247 12.306 0.709 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 512 -0.226 12.078 0.970 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 513 -13.337 12.083 -5.277 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 513 -12.898 12.694 -5.868 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 513 -13.971 12.621 -4.803 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 514 -7.593 12.212 -1.267 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 514 -6.720 12.600 -1.297 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 514 -7.729 11.997 -0.344 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 515 -2.036 12.242 0.382 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 515 -1.960 12.337 -0.567 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 515 -2.312 11.334 0.511 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 516 -0.683 12.268 -3.925 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 516 -1.386 12.882 -4.135 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 516 -1.128 11.430 -3.794 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 517 -11.476 13.999 -6.834 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 517 -10.985 13.369 -7.362 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 517 -10.852 14.295 -6.171 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 518 -6.449 14.292 -4.377 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 518 -6.271 13.646 -3.694 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 518 -6.503 15.126 -3.910 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 519 -1.820 11.482 10.155 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 519 -1.744 11.056 11.009 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 519 -0.927 11.496 9.813 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 520 1.602 11.807 13.636 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 520 0.703 11.946 13.931 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 520 1.854 12.638 13.234 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 521 -5.046 14.966 12.123 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 521 -5.300 14.985 13.046 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 521 -5.303 14.094 11.822 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 522 -8.165 15.411 11.224 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 522 -8.595 14.966 11.954 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 522 -8.883 15.783 10.712 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 523 -13.648 15.899 13.700 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 523 -13.174 16.490 13.115 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 523 -14.366 16.430 14.047 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 524 -10.380 14.289 16.862 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 524 -10.697 13.387 16.827 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 524 -9.598 14.291 16.310 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 525 -9.184 14.528 13.633 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 525 -9.268 15.417 13.979 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 525 -8.294 14.263 13.864 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 526 -12.610 17.620 11.809 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 526 -12.654 18.559 11.988 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 526 -13.497 17.384 11.539 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 527 0.994 15.150 10.931 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 527 1.604 14.778 11.568 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 527 0.157 14.728 11.127 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 528 3.106 14.035 12.474 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 528 3.519 13.314 11.998 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 528 3.788 14.705 12.532 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 529 -12.174 12.285 17.776 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 529 -12.950 12.051 17.268 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 529 -11.643 11.488 17.784 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 530 -13.337 12.083 13.579 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 530 -12.898 12.694 12.988 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 530 -13.971 12.621 14.053 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 531 -7.593 12.212 17.589 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 531 -6.720 12.600 17.559 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 531 -7.729 11.997 18.512 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 532 -0.683 12.268 14.931 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 532 -1.386 12.882 14.721 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 532 -1.128 11.430 15.062 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 533 -11.476 13.999 12.022 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 533 -10.985 13.369 11.494 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 533 -10.852 14.295 12.685 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 534 -6.449 14.292 14.479 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 534 -6.271 13.646 15.162 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 534 -6.503 15.126 14.946 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 535 5.306 -17.129 -18.912 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 535 5.520 -17.899 -18.385 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 535 6.044 -17.040 -19.515 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 536 15.511 -8.972 -18.045 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 536 16.131 -9.649 -18.318 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 536 15.303 -9.190 -17.137 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 537 13.083 -14.583 -16.153 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 537 13.387 -15.269 -16.747 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 537 13.805 -14.465 -15.535 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 538 5.999 -19.691 -17.791 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 538 6.653 -20.241 -17.359 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 538 6.023 -19.965 -18.707 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 539 10.758 -15.494 -14.191 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 539 10.018 -14.896 -14.088 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 539 11.473 -14.940 -14.507 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 540 7.783 -21.278 -16.526 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 540 8.396 -20.645 -16.153 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 540 8.296 -21.750 -17.183 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 541 10.900 -12.759 -17.010 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 541 10.805 -13.337 -17.767 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 541 11.630 -13.130 -16.514 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 542 9.900 -17.418 -16.058 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 542 10.465 -17.297 -16.821 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 542 10.220 -16.781 -15.419 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 543 16.209 -11.915 -15.324 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 543 15.968 -11.253 -14.676 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 543 16.011 -12.749 -14.899 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 544 13.543 -11.734 -11.845 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 544 13.630 -10.908 -11.370 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 544 12.679 -12.064 -11.596 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 545 7.611 -9.173 -20.258 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 545 7.763 -9.521 -19.379 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 545 6.760 -9.529 -20.513 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 546 9.575 -19.995 -15.153 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 546 8.933 -20.036 -14.444 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 546 9.612 -19.069 -15.391 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 547 7.325 -19.675 -13.286 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 547 7.287 -19.275 -12.418 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 547 6.834 -20.492 -13.196 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 548 19.846 -7.440 -9.614 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 548 20.046 -7.016 -10.449 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 548 20.502 -7.097 -9.007 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 549 14.164 -14.774 -11.932 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 549 13.818 -15.155 -11.126 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 549 13.964 -13.840 -11.861 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 550 7.769 -15.663 -17.400 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 550 8.514 -15.665 -18.001 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 550 7.847 -16.487 -16.918 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 551 11.794 -17.685 -9.872 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 551 11.498 -17.851 -10.767 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 551 12.725 -17.905 -9.882 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 552 16.415 -12.312 -11.982 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 552 15.513 -12.129 -12.250 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 552 16.448 -12.053 -11.061 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 553 10.144 -12.145 -19.995 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 553 10.671 -11.372 -20.196 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 553 9.264 -11.920 -20.297 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 554 12.086 -10.333 -14.104 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 554 12.449 -9.478 -14.337 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 554 12.618 -10.625 -13.363 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 555 10.255 -9.460 -20.874 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 555 9.305 -9.355 -20.822 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 555 10.606 -8.640 -20.529 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 556 18.290 -9.682 -11.934 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 556 17.688 -10.237 -12.429 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 556 18.570 -9.015 -12.560 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 557 6.411 -22.449 -12.527 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 557 5.518 -22.110 -12.594 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 557 6.312 -23.304 -12.109 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 558 19.559 -9.428 -15.967 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 558 19.404 -8.750 -16.624 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 558 20.491 -9.356 -15.764 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 559 5.984 -11.370 -21.069 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 559 5.152 -10.897 -21.042 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 559 6.530 -10.860 -21.668 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 560 9.870 -9.838 -8.119 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 560 10.638 -10.297 -7.778 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 560 9.849 -10.064 -9.049 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 561 16.447 -11.458 -9.390 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 561 16.096 -12.314 -9.147 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 561 17.174 -11.315 -8.783 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 562 11.835 -14.977 -9.352 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 562 11.507 -14.706 -10.210 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 562 11.987 -15.918 -9.440 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 563 9.959 -18.738 -11.991 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 563 9.341 -18.063 -11.710 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 563 10.303 -18.417 -12.824 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 564 10.299 -21.383 -10.908 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 564 10.449 -22.112 -11.511 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 564 10.301 -20.606 -11.467 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 565 12.293 -17.574 -13.176 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 565 13.044 -17.730 -13.749 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 565 11.954 -16.722 -13.452 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 566 8.777 -20.185 -8.997 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 566 8.011 -20.717 -9.207 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 566 9.456 -20.495 -9.596 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 567 6.958 -22.264 -9.292 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 567 7.169 -22.971 -9.903 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 567 6.846 -22.702 -8.448 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 568 3.856 -7.668 -20.523 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 568 3.209 -8.130 -21.056 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 568 4.211 -8.340 -19.940 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 569 4.806 -16.512 -16.267 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 569 4.990 -16.594 -17.202 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 569 5.655 -16.636 -15.843 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 570 4.404 -21.241 -10.126 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 570 5.323 -21.363 -9.890 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 570 3.954 -21.991 -9.737 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 571 3.929 -19.930 -16.166 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 571 4.421 -20.151 -16.956 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 571 4.291 -19.089 -15.885 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 572 16.259 -9.162 -14.166 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 572 15.355 -8.997 -14.432 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 572 16.688 -8.309 -14.232 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 573 18.864 -7.592 -13.871 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 573 18.682 -6.676 -14.082 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 573 19.040 -8.002 -14.718 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 574 10.848 -9.725 -16.903 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 574 11.060 -10.613 -17.190 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 574 10.912 -9.759 -15.948 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 575 5.420 -9.681 -23.235 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 575 4.736 -9.719 -23.903 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 575 5.423 -8.768 -22.947 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 576 20.212 -10.157 -10.008 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 576 19.429 -10.343 -10.528 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 576 20.139 -9.228 -9.791 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 577 4.596 -19.291 -2.182 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 577 4.148 -18.445 -2.200 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 577 4.035 -19.871 -2.697 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 578 5.287 -13.859 -3.766 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 578 5.015 -13.630 -4.655 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 578 5.332 -13.021 -3.306 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 579 9.019 -10.947 8.279 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 579 9.027 -11.083 7.331 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 579 8.104 -11.065 8.531 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 580 4.367 -11.974 2.453 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 580 5.313 -12.118 2.434 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 580 4.254 -11.190 2.990 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 581 7.611 -9.173 -1.402 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 581 7.763 -9.521 -0.523 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 581 6.760 -9.529 -1.657 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 582 17.059 -8.808 -6.180 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 582 17.434 -9.552 -6.651 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 582 17.063 -9.078 -5.262 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 583 9.309 -19.523 -6.249 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 583 8.767 -19.903 -6.940 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 583 10.143 -19.329 -6.678 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 584 19.846 -7.440 9.242 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 584 20.046 -7.016 8.407 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 584 20.502 -7.097 9.849 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 585 5.899 -17.283 -6.552 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 585 6.515 -16.656 -6.173 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 585 5.037 -16.967 -6.281 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 586 12.086 -10.333 4.752 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 586 12.449 -9.478 4.519 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 586 12.618 -10.625 5.493 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 587 10.255 -9.460 -2.018 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 587 9.305 -9.355 -1.966 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 587 10.606 -8.640 -1.673 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 588 6.062 -10.644 4.764 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 588 6.279 -11.576 4.733 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 588 6.309 -10.370 5.648 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 589 11.924 -12.193 -8.026 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 589 12.163 -12.941 -8.574 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 589 11.655 -12.581 -7.194 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 590 10.861 -12.623 -5.570 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 590 11.008 -13.143 -4.780 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 590 10.858 -11.716 -5.264 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 591 7.314 -15.370 -5.060 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 591 6.628 -15.018 -4.493 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 591 7.837 -14.607 -5.306 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 592 13.599 -10.925 -4.821 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 592 12.782 -10.428 -4.768 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 592 14.128 -10.450 -5.461 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 593 10.938 -9.882 -4.839 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 593 11.098 -9.082 -5.340 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 593 10.740 -9.575 -3.954 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 594 7.930 -12.756 -6.163 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 594 8.522 -12.057 -5.887 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 594 8.389 -13.189 -6.882 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 595 6.246 -20.092 -7.047 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 595 6.201 -19.153 -6.868 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 595 5.358 -20.328 -7.317 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 596 5.984 -11.370 -2.213 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 596 5.152 -10.897 -2.186 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 596 6.530 -10.860 -2.812 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 597 5.273 -8.757 9.117 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 597 5.813 -8.974 9.876 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 597 4.792 -9.563 8.927 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 598 9.870 -9.838 10.737 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 598 10.638 -10.297 11.078 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 598 9.849 -10.064 9.807 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 599 13.962 -10.330 -7.888 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 599 13.318 -10.961 -7.566 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 599 14.724 -10.861 -8.120 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 600 18.566 -10.513 -7.654 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 600 18.849 -11.307 -7.201 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 600 19.306 -10.280 -8.215 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 601 9.521 -14.603 -7.797 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 601 9.585 -15.397 -7.266 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 601 10.174 -14.722 -8.486 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 602 10.670 -16.631 -5.491 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 602 10.211 -17.115 -4.805 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 602 10.925 -17.299 -6.127 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 603 11.741 -18.388 -7.228 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 603 11.561 -18.542 -8.156 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 603 12.692 -18.280 -7.184 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 604 11.639 -7.697 -6.227 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 604 12.572 -7.539 -6.083 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 604 11.375 -7.022 -6.852 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 605 3.856 -7.668 -1.667 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 605 3.209 -8.130 -2.200 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 605 4.211 -8.340 -1.084 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 606 4.726 -9.587 0.138 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 606 4.393 -10.468 0.310 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 606 4.948 -9.242 1.002 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 607 21.838 -9.211 6.040 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 607 21.352 -9.946 5.669 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 607 22.387 -9.604 6.718 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 608 9.352 -10.784 5.492 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 608 8.927 -9.975 5.209 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 608 10.258 -10.699 5.190 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 609 13.663 -9.385 8.451 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 609 13.848 -9.719 9.329 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 609 14.510 -9.076 8.129 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 610 16.008 -8.100 7.695 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 610 16.685 -8.732 7.455 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 610 16.331 -7.698 8.503 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 611 6.754 -7.528 5.539 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 611 6.034 -7.088 5.088 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 611 6.388 -7.779 6.388 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 612 9.221 -7.928 4.569 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 612 8.357 -7.856 4.973 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 612 9.166 -7.381 3.785 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 613 13.932 -8.040 3.745 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 613 13.475 -7.511 3.091 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 613 14.095 -7.437 4.470 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 614 18.864 -7.592 4.985 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 614 18.682 -6.676 4.774 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 614 19.040 -8.002 4.138 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 615 6.169 -8.905 2.450 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 615 6.150 -9.330 3.307 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 615 6.974 -9.223 2.041 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 616 10.848 -9.725 1.953 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 616 11.060 -10.613 1.666 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 616 10.912 -9.759 2.908 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 617 5.420 -9.681 -4.379 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 617 4.736 -9.719 -5.047 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 617 5.423 -8.768 -4.091 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 618 14.284 -8.471 -5.982 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 618 15.150 -8.105 -6.160 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 618 14.037 -8.911 -6.795 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 619 13.957 -7.962 15.673 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 619 13.882 -8.083 14.727 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 619 13.990 -7.012 15.792 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 620 22.337 -8.825 12.584 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 620 23.081 -8.239 12.444 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 620 21.642 -8.257 12.917 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 621 11.639 -7.697 12.629 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 621 12.572 -7.539 12.773 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 621 11.375 -7.022 12.004 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 622 3.856 -7.668 17.189 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 622 3.209 -8.130 16.656 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 622 4.211 -8.340 17.772 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 623 14.284 -8.471 12.874 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 623 15.150 -8.105 12.696 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 623 14.037 -8.911 12.061 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 624 7.238 -8.761 11.502 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 624 6.970 -8.474 12.375 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 624 8.009 -9.307 11.654 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 625 15.761 2.585 -19.978 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 625 15.851 3.529 -20.110 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 625 15.122 2.310 -20.636 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 626 18.401 4.779 -18.257 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 626 17.959 4.059 -17.807 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 626 18.387 5.500 -17.627 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 627 7.986 5.905 -16.431 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 627 7.616 5.103 -16.800 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 627 8.927 5.736 -16.384 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 628 4.596 -0.435 -21.038 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 628 4.148 0.411 -21.056 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 628 4.035 -1.015 -21.553 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 629 5.306 1.727 -18.912 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 629 5.520 0.957 -18.385 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 629 6.044 1.816 -19.515 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 630 21.746 -4.126 -15.292 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 630 21.795 -3.516 -14.556 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 630 22.172 -3.665 -16.015 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 631 17.101 -3.101 -20.152 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 631 17.747 -3.430 -19.527 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 631 17.611 -2.583 -20.775 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 632 5.999 -0.835 -17.791 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 632 6.653 -1.385 -17.359 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 632 6.023 -1.109 -18.707 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 633 22.139 -2.648 -13.056 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 633 21.450 -1.990 -13.151 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 633 22.154 -2.845 -12.119 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 634 18.865 -3.810 -18.171 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 634 18.651 -4.576 -17.639 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 634 19.521 -3.338 -17.658 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 635 18.913 6.619 -15.909 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 635 17.971 6.677 -15.748 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 635 19.188 7.525 -16.046 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 636 19.212 -5.095 -14.492 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 636 18.477 -4.484 -14.530 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 636 19.896 -4.680 -15.018 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 637 12.215 -7.008 -17.026 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 637 12.098 -7.957 -17.080 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 637 11.360 -6.676 -16.753 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 638 14.482 1.829 -22.526 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 638 13.770 2.364 -22.877 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 638 15.173 1.885 -23.186 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 639 17.889 2.039 -21.574 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 639 17.157 2.267 -21.001 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 639 18.335 1.325 -21.119 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 640 9.534 2.669 -19.691 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 640 9.203 2.299 -20.510 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 640 10.121 1.999 -19.345 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 641 16.209 6.941 -15.324 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 641 15.968 7.603 -14.676 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 641 16.011 6.107 -14.899 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 642 10.780 5.837 -11.341 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 642 10.468 6.619 -10.885 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 642 10.130 5.684 -12.027 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 643 9.019 7.909 -10.577 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 643 9.027 7.773 -11.525 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 643 8.104 7.791 -10.325 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 644 8.523 1.739 -22.102 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 644 8.232 2.507 -22.593 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 644 7.849 1.079 -22.265 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 645 4.616 4.102 -13.287 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 645 4.115 4.074 -14.102 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 645 4.622 3.196 -12.977 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 646 4.367 6.882 -16.403 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 646 5.313 6.738 -16.422 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 646 4.254 7.666 -15.866 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 647 22.564 7.548 -10.721 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 647 22.515 6.593 -10.758 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 647 21.738 7.816 -10.319 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 648 13.543 7.122 -11.845 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 648 13.630 7.948 -11.370 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 648 12.679 6.792 -11.596 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 649 6.865 5.425 -12.244 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 649 7.082 5.064 -11.384 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 649 6.010 5.051 -12.454 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 650 9.572 -0.918 -20.241 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 650 8.679 -1.259 -20.300 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 650 10.023 -1.295 -20.997 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 651 15.108 -0.502 -21.424 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 651 14.699 0.313 -21.716 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 651 15.828 -0.642 -22.039 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 652 3.933 -3.703 -19.436 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 652 4.564 -3.732 -18.716 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 652 4.383 -4.128 -20.166 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 653 12.154 -3.491 -19.155 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 653 11.243 -3.434 -18.866 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 653 12.659 -3.551 -18.344 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 654 6.982 -1.862 -20.328 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 654 6.093 -1.762 -20.668 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 654 7.278 -2.704 -20.674 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 655 10.635 -1.862 -22.672 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 655 11.567 -1.733 -22.494 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 655 10.420 -1.192 -23.321 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 656 7.444 3.890 -10.006 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 656 8.177 4.144 -9.445 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 656 6.664 4.094 -9.491 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 657 8.476 -4.567 -20.850 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 657 8.159 -5.469 -20.885 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 657 9.258 -4.565 -21.402 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 658 14.164 4.082 -11.932 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 658 13.818 3.701 -11.126 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 658 13.964 5.016 -11.861 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 659 4.777 1.654 -12.085 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 659 5.000 1.236 -11.253 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 659 4.175 1.041 -12.507 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 660 16.415 6.544 -11.982 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 660 15.513 6.727 -12.250 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 660 16.448 6.803 -11.061 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 661 10.144 6.711 -19.995 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 661 10.671 7.484 -20.196 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 661 9.264 6.936 -20.297 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 662 11.571 4.374 -20.419 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 662 11.330 5.299 -20.377 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 662 10.831 3.915 -20.023 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 663 12.086 8.523 -14.104 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 663 12.449 9.378 -14.337 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 663 12.618 8.231 -13.363 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 664 15.630 4.622 -14.403 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 664 15.204 4.395 -13.577 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 664 16.212 3.884 -14.586 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 665 18.290 9.174 -11.934 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 665 17.688 8.619 -12.429 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 665 18.570 9.841 -12.560 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 666 6.062 8.212 -14.092 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 666 6.279 7.280 -14.123 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 666 6.309 8.486 -13.208 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 667 13.130 -2.472 -21.705 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 667 13.942 -1.968 -21.659 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 667 12.885 -2.617 -20.791 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 668 14.014 -5.391 -20.767 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 668 13.667 -4.773 -20.122 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 668 14.672 -4.890 -21.248 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 669 19.870 -3.579 -11.685 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 669 18.954 -3.316 -11.773 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 669 20.206 -3.582 -12.582 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 670 16.447 7.398 -9.390 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 670 16.096 6.542 -9.147 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 670 17.174 7.541 -8.783 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 671 5.180 3.909 -8.785 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 671 5.324 3.007 -9.071 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 671 4.407 4.195 -9.273 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 672 11.835 3.879 -9.352 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 672 11.507 4.150 -10.210 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 672 11.987 2.938 -9.440 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 673 6.012 1.109 -9.365 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 673 6.420 0.252 -9.486 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 673 5.752 1.124 -8.444 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 674 14.979 2.589 -8.713 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 674 15.932 2.673 -8.741 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 674 14.819 1.878 -8.094 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 675 8.777 -1.329 -8.997 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 675 8.011 -1.861 -9.207 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 675 9.456 -1.639 -9.596 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 676 17.131 -4.618 -8.340 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 676 17.034 -5.570 -8.346 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 676 16.809 -4.349 -7.479 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 677 21.838 9.645 -12.816 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 677 21.352 8.910 -13.187 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 677 22.387 9.252 -12.138 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 678 20.290 5.435 -8.178 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 678 19.423 5.330 -7.784 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 678 20.665 6.194 -7.731 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 679 21.743 4.530 -15.892 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 679 22.578 4.152 -16.173 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 679 21.855 5.473 -16.011 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 680 20.230 7.408 -13.585 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 680 19.582 7.733 -12.960 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 680 19.712 6.968 -14.260 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 681 19.771 0.266 -20.277 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 681 19.621 -0.679 -20.297 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 681 19.418 0.547 -19.433 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 682 4.806 2.344 -16.267 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 682 4.990 2.262 -17.202 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 682 5.655 2.220 -15.843 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 683 19.482 -2.151 -21.815 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 683 19.761 -3.058 -21.690 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 683 20.240 -1.717 -22.204 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 684 20.093 -1.570 -16.379 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 684 21.026 -1.358 -16.413 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 684 19.858 -1.468 -15.456 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 685 4.404 -2.385 -10.126 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 685 5.323 -2.507 -9.890 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 685 3.954 -3.135 -9.737 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 686 3.929 -1.074 -16.166 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 686 4.421 -1.295 -16.956 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 686 4.291 -0.233 -15.885 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 687 21.925 -4.744 -9.900 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 687 21.008 -4.473 -9.936 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 687 22.048 -5.279 -10.684 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 688 4.242 -4.816 -22.111 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 688 3.317 -4.607 -22.241 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 688 4.696 -4.332 -22.801 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 689 6.398 7.097 -9.623 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 689 5.577 7.272 -10.083 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 689 6.146 7.024 -8.702 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 690 9.352 8.072 -13.364 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 690 8.927 8.881 -13.647 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 690 10.258 8.157 -13.666 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 691 20.926 -6.654 -12.081 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 691 20.113 -6.329 -12.469 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 691 21.160 -7.414 -12.614 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 692 8.310 8.661 -17.751 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 692 8.091 7.745 -17.582 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 692 9.134 8.801 -17.285 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 693 10.848 9.131 -16.903 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 693 11.060 8.243 -17.190 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 693 10.912 9.097 -15.948 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 694 14.356 -5.205 -17.758 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 694 13.681 -5.834 -17.503 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 694 14.920 -5.689 -18.361 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 695 19.498 -7.098 -17.646 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 695 20.102 -6.550 -18.147 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 695 18.630 -6.778 -17.886 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 696 6.682 -6.571 -19.936 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 696 5.905 -6.805 -20.444 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 696 7.213 -7.368 -19.928 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 697 11.262 -6.644 -20.123 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 697 12.136 -6.256 -20.153 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 697 11.127 -6.859 -19.200 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 698 16.819 -6.614 -18.474 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 698 16.895 -6.519 -19.423 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 698 16.543 -7.522 -18.345 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 699 17.035 -7.374 -8.701 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 699 17.111 -7.800 -7.847 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 699 17.928 -7.360 -9.043 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 700 20.212 8.699 -10.008 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 700 19.429 8.513 -10.528 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 700 20.139 9.628 -9.791 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 701 15.761 2.585 -1.122 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 701 15.851 3.529 -1.254 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 701 15.122 2.310 -1.780 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 702 18.401 4.779 0.599 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 702 17.959 4.059 1.049 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 702 18.387 5.500 1.229 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 703 15.511 9.884 0.811 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 703 16.131 9.207 0.538 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 703 15.303 9.666 1.719 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 704 21.746 -4.126 3.564 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 704 21.795 -3.516 4.300 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 704 22.172 -3.665 2.841 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 705 16.224 -1.333 3.031 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 705 16.367 -2.280 3.051 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 705 16.118 -1.126 2.102 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 706 9.380 -3.232 0.303 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 706 9.422 -2.372 -0.115 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 706 8.921 -3.784 -0.330 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 707 11.155 0.715 0.281 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 707 11.771 0.189 0.790 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 707 10.569 0.075 -0.123 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 708 15.558 5.186 -2.079 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 708 15.262 4.864 -2.930 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 708 15.234 6.086 -2.037 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 709 18.865 -3.810 0.685 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 709 18.651 -4.576 1.217 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 709 19.521 -3.338 1.198 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 710 5.287 4.997 -3.766 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 710 5.015 5.226 -4.655 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 710 5.332 5.835 -3.306 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 711 19.212 -5.095 4.364 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 711 18.477 -4.484 4.326 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 711 19.896 -4.680 3.838 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 712 12.215 -7.008 1.830 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 712 12.098 -7.957 1.776 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 712 11.360 -6.676 2.103 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 713 17.165 8.400 -0.428 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 713 17.590 7.693 -0.913 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 713 17.482 9.201 -0.845 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 714 14.537 0.287 -6.631 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 714 15.237 0.309 -5.980 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 714 14.838 -0.341 -7.287 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 715 21.852 1.207 4.624 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 715 21.200 1.902 4.713 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 715 22.316 1.417 3.814 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 716 17.889 2.039 -2.718 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 716 17.157 2.267 -2.145 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 716 18.335 1.325 -2.263 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 717 9.534 2.669 -0.835 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 717 9.203 2.299 -1.654 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 717 10.121 1.999 -0.489 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 718 16.759 1.201 -5.033 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 718 17.338 1.351 -4.286 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 718 17.174 1.672 -5.756 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 719 14.485 7.938 -1.598 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 719 14.959 8.233 -0.820 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 719 13.922 8.676 -1.831 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 720 8.523 1.739 -3.246 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 720 8.232 2.507 -3.737 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 720 7.849 1.079 -3.409 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 721 21.648 7.317 -6.843 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 721 21.721 8.256 -6.673 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 721 22.552 7.012 -6.900 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 722 4.367 6.882 2.453 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 722 5.313 6.738 2.434 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 722 4.254 7.666 2.990 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 723 7.611 9.683 -1.402 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 723 7.763 9.335 -0.523 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 723 6.760 9.327 -1.657 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 724 9.484 -6.105 2.608 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 724 8.623 -6.192 2.200 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 724 9.462 -5.249 3.035 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 725 14.147 -6.383 5.982 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 725 14.567 -6.798 6.735 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 725 13.214 -6.561 6.099 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 726 17.474 -2.627 6.836 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 726 16.959 -2.753 7.633 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 726 17.319 -1.715 6.591 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 727 13.809 -3.890 -6.733 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 727 13.555 -3.871 -5.810 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 727 13.552 -4.762 -7.034 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 728 9.572 -0.918 -1.385 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 728 8.679 -1.259 -1.444 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 728 10.023 -1.295 -2.141 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 729 16.113 -1.056 0.246 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 729 15.917 -0.451 -0.469 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 729 16.294 -1.890 -0.189 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 730 10.691 -3.445 -7.632 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 730 10.260 -3.890 -6.902 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 730 9.973 -3.073 -8.144 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 731 12.154 -3.491 -0.299 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 731 11.243 -3.434 -0.010 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 731 12.659 -3.551 0.512 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 732 10.635 -1.862 -3.816 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 732 11.567 -1.733 -3.638 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 732 10.420 -1.192 -4.465 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 733 16.559 -4.256 2.965 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 733 15.883 -4.125 3.629 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 733 16.073 -4.411 2.155 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 734 9.309 -0.667 -6.249 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 734 8.767 -1.047 -6.940 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 734 10.143 -0.473 -6.678 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 735 13.474 -0.703 1.588 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 735 14.038 -1.250 1.041 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 735 13.326 -1.225 2.377 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 736 8.476 -4.567 -1.994 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 736 8.159 -5.469 -2.029 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 736 9.258 -4.565 -2.546 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 737 12.101 -2.315 4.002 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 737 11.265 -1.861 4.112 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 737 12.624 -2.039 4.754 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 738 16.543 -3.288 -6.114 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 738 15.604 -3.176 -6.265 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 738 16.840 -2.431 -5.808 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 739 17.261 -1.421 -4.453 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 739 18.152 -1.558 -4.134 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 739 17.317 -0.630 -4.990 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 740 14.770 5.357 -5.288 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 740 14.476 6.183 -4.906 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 740 14.067 4.737 -5.092 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 741 22.145 -1.211 -4.759 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 741 21.591 -1.607 -5.431 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 741 22.246 -0.301 -5.036 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 742 10.144 6.711 -1.139 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 742 10.671 7.484 -1.340 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 742 9.264 6.936 -1.441 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 743 5.899 1.573 -6.552 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 743 6.515 2.200 -6.173 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 743 5.037 1.889 -6.281 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 744 11.571 4.374 -1.563 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 744 11.330 5.299 -1.521 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 744 10.831 3.915 -1.167 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 745 10.255 9.396 -2.018 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 745 9.305 9.501 -1.966 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 745 10.606 10.216 -1.673 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 746 17.834 5.551 -6.473 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 746 18.186 5.171 -5.669 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 746 16.884 5.458 -6.387 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 747 18.700 4.224 -4.247 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 747 18.422 3.496 -3.691 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 747 19.627 4.343 -4.041 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 748 7.314 3.486 -5.060 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 748 6.628 3.838 -4.493 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 748 7.837 4.249 -5.306 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 749 15.146 -3.852 5.219 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 749 15.845 -3.778 5.869 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 749 14.765 -4.716 5.374 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 750 9.671 -4.328 -5.223 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 750 9.588 -3.439 -4.877 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 750 10.561 -4.593 -4.992 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 751 18.473 0.172 1.267 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 751 17.675 -0.243 0.938 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 751 18.918 -0.519 1.758 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 752 6.246 -1.236 -7.047 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 752 6.201 -0.297 -6.868 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 752 5.358 -1.472 -7.317 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 753 19.559 9.428 2.889 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 753 19.404 10.106 2.232 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 753 20.491 9.500 3.092 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 754 7.054 -6.454 1.626 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 754 6.825 -6.395 0.699 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 754 6.611 -7.246 1.933 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 755 5.984 7.486 -2.213 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 755 5.152 7.959 -2.186 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 755 6.530 7.996 -2.812 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 756 9.870 9.018 10.737 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 756 10.638 8.559 11.078 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 756 9.849 8.792 9.807 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 757 18.566 8.343 -7.654 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 757 18.849 7.549 -7.201 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 757 19.306 8.576 -8.215 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 758 9.521 4.253 -7.797 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 758 9.585 3.459 -7.266 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 758 10.174 4.134 -8.486 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 759 14.873 5.300 -8.061 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 759 14.605 5.480 -7.160 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 759 14.667 4.374 -8.192 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 760 10.670 2.225 -5.491 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 760 10.211 1.741 -4.805 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 760 10.925 1.557 -6.127 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 761 11.741 0.468 -7.228 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 761 11.561 0.314 -8.156 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 761 12.692 0.576 -7.184 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 762 15.497 -3.252 8.511 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 762 14.549 -3.220 8.643 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 762 15.809 -3.877 9.165 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 763 17.131 -4.618 10.516 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 763 17.034 -5.570 10.510 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 763 16.809 -4.349 11.377 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 764 11.739 -7.407 8.543 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 764 12.451 -8.047 8.529 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 764 11.638 -7.140 7.629 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 765 12.092 -5.724 10.597 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 765 11.961 -6.200 9.776 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 765 11.493 -4.980 10.541 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 766 4.726 9.269 0.138 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 766 4.393 8.388 0.310 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 766 4.948 9.614 1.002 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 767 22.276 10.078 3.118 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 767 22.253 10.263 4.057 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 767 22.965 10.647 2.777 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 768 21.838 9.645 6.040 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 768 21.352 8.910 5.669 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 768 22.387 9.252 6.718 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 769 21.590 3.692 -3.808 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 769 22.441 4.113 -3.680 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 769 21.596 2.952 -3.200 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 770 21.743 4.530 2.964 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 770 22.578 4.152 2.683 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 770 21.855 5.473 2.845 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 771 22.252 1.646 -5.593 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 771 21.731 2.003 -6.312 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 771 22.220 2.321 -4.915 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 772 20.602 -1.114 -7.042 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 772 20.698 -0.447 -7.722 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 772 20.462 -1.930 -7.524 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 773 19.771 0.266 -1.421 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 773 19.621 -0.679 -1.441 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 773 19.418 0.547 -0.577 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 774 19.849 -3.706 -7.925 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 774 20.459 -4.078 -7.288 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 774 19.012 -4.128 -7.729 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 775 20.093 -1.570 2.477 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 775 21.026 -1.358 2.443 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 775 19.858 -1.468 3.400 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 776 20.122 -0.833 5.253 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 776 19.279 -0.565 5.619 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 776 20.566 -0.011 5.042 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 777 22.405 -6.853 10.607 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 777 22.755 -7.507 10.001 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 777 22.552 -6.016 10.167 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 778 20.926 -6.654 6.775 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 778 20.113 -6.329 6.387 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 778 21.160 -7.414 6.242 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 779 6.754 11.328 5.539 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 779 6.034 11.768 5.088 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 779 6.388 11.077 6.388 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 780 6.169 9.951 2.450 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 780 6.150 9.526 3.307 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 780 6.974 9.633 2.041 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 781 8.310 8.661 1.105 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 781 8.091 7.745 1.274 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 781 9.134 8.801 1.571 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 782 14.356 -5.205 1.098 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 782 13.681 -5.834 1.353 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 782 14.920 -5.689 0.495 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 783 6.682 -6.571 -1.080 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 783 5.905 -6.805 -1.588 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 783 7.213 -7.368 -1.072 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 784 12.406 -4.564 -4.377 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 784 12.584 -5.210 -3.694 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 784 12.352 -3.730 -3.910 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 785 17.035 -7.374 10.155 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 785 17.111 -7.800 11.009 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 785 17.928 -7.360 9.813 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 786 15.761 2.585 17.734 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 786 15.851 3.529 17.602 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 786 15.122 2.310 17.076 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 787 18.401 4.779 19.455 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 787 17.959 4.059 19.905 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 787 18.387 5.500 20.085 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 788 4.596 -0.435 16.674 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 788 4.148 0.411 16.656 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 788 4.035 -1.015 16.159 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 789 5.306 1.727 18.800 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 789 5.520 0.957 19.327 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 789 6.044 1.816 18.197 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 790 15.511 9.884 19.667 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 790 16.131 9.207 19.394 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 790 15.303 9.666 20.575 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 791 9.380 -3.232 19.159 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 791 9.422 -2.372 18.741 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 791 8.921 -3.784 18.526 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 792 17.101 -3.101 17.560 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 792 17.747 -3.430 18.185 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 792 17.611 -2.583 16.937 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 793 11.155 0.715 19.137 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 793 11.771 0.189 19.646 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 793 10.569 0.075 18.733 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 794 15.558 5.186 16.777 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 794 15.262 4.864 15.926 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 794 15.234 6.086 16.819 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 795 5.287 4.997 15.090 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 795 5.015 5.226 14.201 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 795 5.332 5.835 15.550 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 796 17.165 8.400 18.428 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 796 17.590 7.693 17.943 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 796 17.482 9.201 18.011 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 797 9.534 2.669 18.021 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 797 9.203 2.299 17.202 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 797 10.121 1.999 18.367 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 798 14.485 7.938 17.258 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 798 14.959 8.233 18.036 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 798 13.922 8.676 17.025 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 799 20.457 -7.049 13.636 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 799 19.558 -6.910 13.931 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 799 20.709 -6.218 13.234 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 800 8.523 1.739 15.610 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 800 8.232 2.507 15.119 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 800 7.849 1.079 15.447 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 801 13.957 10.894 15.673 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 801 13.882 10.773 14.727 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 801 13.990 11.844 15.792 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 802 7.611 9.683 17.454 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 802 7.763 9.335 18.333 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 802 6.760 9.327 17.199 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 803 16.729 9.974 15.425 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 803 15.793 10.074 15.604 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 803 17.008 9.265 16.003 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 804 9.572 -0.918 17.471 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 804 8.679 -1.259 17.412 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 804 10.023 -1.295 16.715 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 805 15.108 -0.502 16.288 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 805 14.699 0.313 15.996 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 805 15.828 -0.642 15.673 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 806 16.113 -1.056 19.102 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 806 15.917 -0.451 18.387 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 806 16.294 -1.890 18.667 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 807 3.933 -3.703 18.276 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 807 4.564 -3.732 18.996 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 807 4.383 -4.128 17.546 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 808 5.208 -2.957 13.700 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 808 5.682 -2.366 13.115 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 808 4.490 -2.426 14.047 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 809 12.154 -3.491 18.557 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 809 11.243 -3.434 18.846 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 809 12.659 -3.551 19.368 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 810 6.982 -1.862 17.384 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 810 6.093 -1.762 17.044 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 810 7.278 -2.704 17.038 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 811 8.476 -4.567 16.862 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 811 8.159 -5.469 16.827 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 811 9.258 -4.565 16.310 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 812 16.543 -3.288 12.742 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 812 15.604 -3.176 12.591 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 812 16.840 -2.431 13.048 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 813 14.770 5.357 13.568 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 813 14.476 6.183 13.950 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 813 14.067 4.737 13.764 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 814 5.899 1.573 12.304 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 814 6.515 2.200 12.683 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 814 5.037 1.889 12.575 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 815 11.571 4.374 17.293 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 815 11.330 5.299 17.335 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 815 10.831 3.915 17.689 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 816 10.861 6.233 13.286 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 816 11.008 5.713 14.076 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 816 10.858 7.140 13.592 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 817 15.930 -4.200 15.172 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 817 16.151 -3.728 14.369 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 817 16.488 -3.805 15.843 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 818 13.599 7.931 14.035 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 818 12.782 8.428 14.088 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 818 14.128 8.406 13.395 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 819 14.014 -5.391 16.945 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 819 13.667 -4.773 17.590 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 819 14.672 -4.890 16.464 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 820 10.938 8.974 14.017 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 820 11.098 9.774 13.516 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 820 10.740 9.281 14.902 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 821 18.473 0.172 20.123 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 821 17.675 -0.243 19.794 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 821 18.918 -0.519 20.614 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 822 5.984 7.486 16.643 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 822 5.152 7.959 16.670 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 822 6.530 7.996 16.044 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 823 11.639 11.159 12.629 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 823 12.572 11.317 12.773 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 823 11.375 11.834 12.004 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 824 3.856 11.188 17.189 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 824 3.209 10.726 16.656 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 824 4.211 10.516 17.772 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 825 21.984 1.745 16.872 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 825 21.258 1.266 17.270 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 825 22.566 1.951 17.604 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 826 19.771 0.266 17.435 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 826 19.621 -0.679 17.415 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 826 19.418 0.547 18.279 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 827 19.482 -2.151 15.897 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 827 19.761 -3.058 16.022 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 827 20.240 -1.717 15.508 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 828 20.096 -4.888 15.946 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 828 20.277 -5.337 16.771 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 828 19.495 -5.473 15.482 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 829 21.962 -4.821 12.474 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 829 22.374 -5.542 11.998 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 829 22.643 -4.151 12.532 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 830 4.242 -4.816 15.601 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 830 3.317 -4.607 15.471 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 830 4.696 -4.332 14.911 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 831 19.014 10.168 17.546 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 831 19.666 9.821 16.938 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 831 19.524 10.657 18.192 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 832 5.519 -6.773 13.579 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 832 5.958 -6.162 12.988 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 832 4.885 -6.235 14.053 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 833 11.262 -6.644 17.589 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 833 12.136 -6.256 17.559 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 833 11.127 -6.859 18.512 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 834 18.172 -6.588 14.931 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 834 17.470 -5.974 14.721 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 834 17.727 -7.426 15.062 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 835 5.420 9.175 14.477 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 835 4.736 9.137 13.809 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 835 5.423 10.088 14.765 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 836 7.380 -4.857 12.022 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 836 7.871 -5.487 11.494 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 836 8.003 -4.561 12.685 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 837 12.406 -4.564 14.479 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 837 12.584 -5.210 15.162 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 837 12.352 -3.730 14.946 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 838 14.694 20.696 2.297 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 838 14.656 20.050 3.002 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 838 14.371 20.230 1.526 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 839 21.746 14.730 3.564 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 839 21.795 15.340 4.300 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 839 22.172 15.191 2.841 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 840 16.224 17.523 3.031 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 840 16.367 16.576 3.051 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 840 16.118 17.730 2.102 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 841 22.139 16.208 5.800 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 841 21.450 16.866 5.705 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 841 22.154 16.011 6.737 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 842 8.189 14.542 4.377 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 842 7.970 15.072 3.611 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 842 7.521 14.769 5.025 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 843 18.865 15.046 0.685 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 843 18.651 14.280 1.217 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 843 19.521 15.518 1.198 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 844 12.215 11.848 1.830 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 844 12.098 10.899 1.776 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 844 11.360 12.180 2.103 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 845 21.852 20.063 4.624 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 845 21.200 20.758 4.713 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 845 22.316 20.273 3.814 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 846 9.484 12.751 2.608 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 846 8.623 12.664 2.200 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 846 9.462 13.607 3.035 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 847 9.575 17.717 3.703 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 847 8.933 17.676 4.412 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 847 9.612 18.643 3.465 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 848 16.113 17.800 0.246 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 848 15.917 18.405 -0.469 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 848 16.294 16.966 -0.189 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 849 15.377 19.438 4.917 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 849 15.700 18.807 4.274 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 849 14.936 18.903 5.578 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 850 16.559 14.600 2.965 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 850 15.883 14.731 3.629 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 850 16.073 14.445 2.155 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 851 13.474 18.153 1.588 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 851 14.038 17.606 1.041 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 851 13.326 17.631 2.377 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 852 12.101 16.541 4.002 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 852 11.265 16.995 4.112 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 852 12.624 16.817 4.754 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 853 19.794 21.887 4.473 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 853 20.436 22.344 3.930 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 853 18.965 22.000 4.011 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 854 14.164 22.938 6.924 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 854 13.818 22.557 7.730 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 854 13.964 23.872 6.995 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 855 11.794 20.027 8.984 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 855 11.498 19.861 8.089 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 855 12.725 19.807 8.974 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 856 17.602 21.239 2.728 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 856 16.674 21.007 2.701 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 856 18.052 20.462 2.398 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 857 6.411 15.263 6.329 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 857 5.518 15.602 6.262 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 857 6.312 14.408 6.747 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 858 18.473 19.028 1.267 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 858 17.675 18.613 0.938 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 858 18.918 18.337 1.758 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 859 7.054 12.402 1.626 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 859 6.825 12.461 0.699 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 859 6.611 11.610 1.933 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 860 17.570 22.651 6.887 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 860 18.316 23.239 6.767 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 860 16.813 23.233 6.950 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 861 9.959 18.974 6.865 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 861 9.341 19.649 7.146 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 861 10.303 19.295 6.032 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 862 14.979 21.445 10.143 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 862 15.932 21.529 10.115 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 862 14.819 20.734 10.762 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 863 10.299 16.329 7.948 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 863 10.449 15.600 7.345 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 863 10.301 17.106 7.389 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 864 10.711 14.699 5.440 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 864 11.247 15.150 4.788 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 864 9.859 14.591 5.018 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 865 12.293 20.138 5.680 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 865 13.044 19.982 5.107 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 865 11.954 20.990 5.404 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 866 18.026 20.742 8.786 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 866 17.744 21.451 8.208 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 866 18.968 20.669 8.635 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 867 8.777 17.527 9.859 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 867 8.011 16.995 9.649 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 867 9.456 17.217 9.260 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 868 11.517 12.155 5.872 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 868 11.419 13.102 5.766 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 868 10.774 11.783 5.396 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 869 6.958 15.448 9.564 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 869 7.169 14.741 8.953 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 869 6.846 15.010 10.408 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 870 11.739 11.449 8.543 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 870 12.451 10.809 8.529 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 870 11.638 11.716 7.629 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 871 12.092 13.132 10.597 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 871 11.961 12.656 9.776 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 871 11.493 13.876 10.541 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 872 20.627 21.092 8.218 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 872 21.210 20.358 8.409 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 872 21.191 21.864 8.264 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 873 22.124 18.995 8.902 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 873 21.261 18.616 8.737 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 873 22.728 18.256 8.828 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 874 20.093 17.286 2.477 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 874 21.026 17.498 2.443 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 874 19.858 17.388 3.400 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 875 20.122 18.023 5.253 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 875 19.279 18.291 5.619 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 875 20.566 18.845 5.042 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 876 4.404 16.471 8.730 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 876 5.323 16.349 8.966 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 876 3.954 15.721 9.119 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 877 4.207 12.778 5.089 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 877 3.541 12.532 5.732 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 877 3.763 13.400 4.512 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 878 14.356 13.651 1.098 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 878 13.681 13.022 1.353 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 878 14.920 13.167 0.495 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 879 19.498 11.758 1.210 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 879 20.102 12.306 0.709 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 879 18.630 12.078 0.970 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 880 11.262 12.212 -1.267 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 880 12.136 12.600 -1.297 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 880 11.127 11.997 -0.344 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 881 16.819 12.242 0.382 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 881 16.895 12.337 -0.567 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 881 16.543 11.334 0.511 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 882 6.640 12.799 8.437 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 882 6.274 12.034 8.880 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 882 7.553 12.828 8.724 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 883 8.613 12.150 9.973 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 883 9.512 11.876 9.788 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 883 8.227 11.407 10.437 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 884 17.101 15.755 17.560 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 884 17.747 15.426 18.185 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 884 17.611 16.273 16.937 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 885 18.865 15.046 19.541 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 885 18.651 14.280 20.073 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 885 19.521 15.518 20.054 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 886 14.537 19.143 12.225 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 886 15.237 19.165 12.876 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 886 14.838 18.515 11.569 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 887 16.759 20.057 13.823 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 887 17.338 20.207 14.570 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 887 17.174 20.528 13.100 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 888 18.236 21.090 11.453 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 888 18.279 20.867 10.523 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 888 19.085 21.488 11.643 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 889 13.809 14.966 12.123 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 889 13.555 14.985 13.046 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 889 13.552 14.094 11.822 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 890 15.108 18.354 16.288 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 890 14.699 19.169 15.996 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 890 15.828 18.214 15.673 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 891 10.691 15.411 11.224 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 891 10.260 14.966 11.954 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 891 9.973 15.783 10.712 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 892 17.261 17.435 14.403 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 892 18.152 17.298 14.722 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 892 17.317 18.226 13.866 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 893 22.145 17.645 14.097 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 893 21.591 17.249 13.425 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 893 22.246 18.555 13.820 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 894 15.930 14.656 15.172 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 894 16.151 15.128 14.369 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 894 16.488 15.051 15.843 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 895 13.130 16.384 16.007 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 895 13.942 16.888 16.053 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 895 12.885 16.239 16.921 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 896 14.014 13.465 16.945 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 896 13.667 14.083 17.590 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 896 14.672 13.966 16.464 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 897 11.741 19.324 11.628 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 897 11.561 19.170 10.700 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 897 12.692 19.432 11.672 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 898 22.252 20.502 13.263 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 898 21.731 20.859 12.544 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 898 22.220 21.177 13.941 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 899 20.602 17.742 11.814 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 899 20.698 18.409 11.134 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 899 20.462 16.926 11.332 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 900 19.771 19.122 17.435 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 900 19.621 18.177 17.415 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 900 19.418 19.403 18.279 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 901 19.482 16.705 15.897 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 901 19.761 15.798 16.022 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 901 20.240 17.139 15.508 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 902 4.242 14.040 15.601 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 902 3.317 14.249 15.471 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 902 4.696 14.524 14.911 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 903 19.498 11.758 20.066 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 903 20.102 12.306 19.565 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 903 18.630 12.078 19.826 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 904 21.226 12.897 18.400 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 904 21.837 12.383 17.873 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 904 21.608 13.775 18.423 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 905 5.519 12.083 13.579 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 905 5.958 12.694 12.988 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 905 4.885 12.621 14.053 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 906 16.819 12.242 19.238 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 906 16.895 12.337 18.289 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 906 16.543 11.334 19.367 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 907 7.380 13.999 12.022 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 907 7.871 13.369 11.494 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 907 8.003 14.295 12.685 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 908 12.406 14.292 14.479 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 908 12.584 13.646 15.162 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 908 12.352 15.126 14.946 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 909 24.130 -8.757 9.117 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 909 24.669 -8.974 9.876 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 909 23.648 -9.563 8.927 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 910 25.611 -7.528 5.539 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 910 24.891 -7.088 5.088 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 910 25.245 -7.779 6.388 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 911 25.919 1.455 -14.966 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 911 25.960 0.829 -14.242 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 911 26.622 2.078 -14.784 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 912 26.556 2.035 -12.112 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 912 26.627 2.686 -11.414 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 912 25.666 2.138 -12.447 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 913 23.473 4.102 -13.287 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 913 22.971 4.074 -14.102 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 913 23.479 3.196 -12.977 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 914 25.721 5.425 -12.244 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 914 25.939 5.064 -11.384 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 914 24.867 5.051 -12.454 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 915 26.181 -0.819 -13.286 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 915 26.144 -0.419 -12.418 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 915 25.691 -1.636 -13.196 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 916 26.300 3.890 -10.006 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 916 27.034 4.144 -9.445 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 916 25.521 4.094 -9.491 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 917 23.634 1.654 -12.085 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 917 23.857 1.236 -11.253 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 917 23.032 1.041 -12.507 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 918 25.268 -3.593 -12.527 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 918 24.375 -3.254 -12.594 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 918 25.169 -4.448 -12.109 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 919 24.037 3.909 -8.785 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 919 24.181 3.007 -9.071 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 919 23.264 4.195 -9.273 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 920 24.869 1.109 -9.365 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 920 25.277 0.252 -9.486 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 920 24.608 1.124 -8.444 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 921 23.663 2.344 -16.267 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 921 23.846 2.262 -17.202 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 921 24.512 2.220 -15.843 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 922 23.261 -2.385 -10.126 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 922 24.180 -2.507 -9.890 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 922 22.811 -3.135 -9.737 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 923 22.785 -1.074 -16.166 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 923 23.278 -1.295 -16.956 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 923 23.148 -0.233 -15.885 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 924 25.255 7.097 -9.623 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 924 24.434 7.272 -10.083 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 924 25.003 7.024 -8.702 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 925 25.919 1.455 3.890 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 925 25.960 0.829 4.614 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 925 26.622 2.078 4.072 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 926 27.046 -4.314 4.377 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 926 26.827 -3.784 3.611 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 926 26.378 -4.087 5.025 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 927 26.556 2.035 6.744 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 927 26.627 2.686 7.442 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 927 25.666 2.138 6.409 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 928 27.876 7.909 8.279 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 928 27.884 7.773 7.331 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 928 26.960 7.791 8.531 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 929 23.473 4.102 5.569 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 929 22.971 4.074 4.754 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 929 23.479 3.196 5.879 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 930 23.224 6.882 2.453 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 930 24.169 6.738 2.434 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 930 23.111 7.666 2.990 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 931 25.721 5.425 6.612 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 931 25.939 5.064 7.472 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 931 24.867 5.051 6.402 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 932 26.181 -0.819 5.570 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 932 26.144 -0.419 6.438 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 932 25.691 -1.636 5.660 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 933 26.300 3.890 8.850 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 933 27.034 4.144 9.411 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 933 25.521 4.094 9.365 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 934 23.634 1.654 6.771 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 934 23.857 1.236 7.603 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 934 23.032 1.041 6.349 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 935 24.756 1.573 -6.552 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 935 25.372 2.200 -6.173 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 935 23.894 1.889 -6.281 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 936 25.268 -3.593 6.329 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 936 24.375 -3.254 6.262 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 936 25.169 -4.448 6.747 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 937 24.919 8.212 4.764 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 937 25.136 7.280 4.733 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 937 25.166 8.486 5.648 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 938 25.102 -1.236 -7.047 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 938 25.058 -0.297 -6.868 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 938 24.215 -1.472 -7.317 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 939 24.130 10.099 9.117 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 939 24.669 9.882 9.876 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 939 23.648 9.293 8.927 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 940 28.816 0.118 6.865 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 940 28.198 0.793 7.146 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 940 29.160 0.439 6.032 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 941 29.155 -2.527 7.948 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 941 29.306 -3.256 7.345 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 941 29.158 -1.750 7.389 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 942 27.634 -1.329 9.859 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 942 26.867 -1.861 9.649 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 942 28.312 -1.639 9.260 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 943 24.064 5.795 -6.744 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 943 24.977 5.874 -6.471 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 943 24.071 5.108 -7.411 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 944 23.663 2.344 2.589 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 944 23.846 2.262 1.654 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 944 24.512 2.220 3.013 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 945 22.785 -1.074 2.690 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 945 23.278 -1.295 1.900 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 945 23.148 -0.233 2.971 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 946 23.062 -6.078 5.089 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 946 22.398 -6.324 5.732 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 946 22.620 -5.456 4.512 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 947 25.255 7.097 9.233 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 947 24.434 7.272 8.773 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 947 25.003 7.024 10.154 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 948 25.611 11.328 5.539 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 948 24.891 11.768 5.088 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 948 25.245 11.077 6.388 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 949 25.497 -6.057 8.437 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 949 25.131 -6.822 8.880 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 949 26.410 -6.028 8.724 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 950 27.470 -6.706 9.973 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 950 28.369 -6.980 9.788 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 950 27.084 -7.449 10.437 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 951 23.453 -0.435 16.674 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 951 23.005 0.411 16.656 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 951 22.892 -1.015 16.159 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 952 24.163 1.727 18.800 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 952 24.377 0.957 19.327 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 952 24.901 1.816 18.197 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 953 24.144 4.997 15.090 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 953 23.872 5.226 14.201 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 953 24.189 5.835 15.550 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 954 27.380 1.739 15.610 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 954 27.088 2.507 15.119 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 954 26.706 1.079 15.447 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 955 29.547 -3.445 11.224 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 955 29.117 -3.890 11.954 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 955 28.829 -3.073 10.712 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 956 22.790 -3.703 18.276 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 956 23.421 -3.732 18.996 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 956 23.239 -4.128 17.546 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 957 24.065 -2.957 13.700 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 957 24.538 -2.366 13.115 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 957 23.346 -2.426 14.047 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 958 25.838 -1.862 17.384 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 958 24.950 -1.762 17.044 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 958 26.135 -2.704 17.038 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 959 28.166 -0.667 12.607 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 959 27.623 -1.047 11.916 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 959 29.000 -0.473 12.178 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 960 26.171 3.486 13.796 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 960 25.485 3.838 14.363 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 960 26.694 4.249 13.550 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 961 28.527 -4.328 13.633 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 961 28.445 -3.439 13.979 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 961 29.418 -4.593 13.864 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 962 26.787 6.100 12.693 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 962 27.379 6.799 12.969 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 962 27.245 5.667 11.974 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 963 24.840 7.486 16.643 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 963 24.009 7.959 16.670 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 963 25.387 7.996 16.044 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 964 28.378 4.253 11.059 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 964 28.442 3.459 11.590 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 964 29.030 4.134 10.370 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 965 29.527 2.225 13.365 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 965 29.068 1.741 14.051 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 965 29.782 1.557 12.729 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 966 22.712 11.188 17.189 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 966 22.066 10.726 16.656 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 966 23.068 10.516 17.772 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 967 23.583 9.269 18.994 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 967 23.248 8.388 19.166 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 967 23.805 9.614 19.858 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 968 23.099 -4.816 15.601 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 968 22.174 -4.607 15.471 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 968 23.553 -4.332 14.911 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 969 24.376 -6.773 13.579 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 969 24.815 -6.162 12.988 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 969 23.742 -6.235 14.053 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 970 24.277 9.175 14.477 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 970 23.592 9.137 13.809 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 970 24.279 10.088 14.765 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 971 26.236 -4.857 12.022 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 971 26.727 -5.487 11.494 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 971 26.860 -4.561 12.685 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 972 26.095 10.095 11.502 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 972 25.827 10.382 12.375 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 972 26.866 9.549 11.654 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 973 25.268 15.263 6.329 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 973 24.375 15.602 6.262 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 973 25.169 14.408 6.747 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 974 24.869 19.965 9.491 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 974 25.277 19.108 9.370 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 974 24.608 19.980 10.412 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 975 27.634 17.527 9.859 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 975 26.867 16.995 9.649 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 975 28.312 17.217 9.260 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 976 25.815 15.448 9.564 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 976 26.026 14.741 8.953 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 976 25.703 15.010 10.408 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 977 23.261 16.471 8.730 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 977 24.180 16.349 8.966 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 977 22.811 15.721 9.119 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 978 22.785 17.782 2.690 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 978 23.278 17.561 1.900 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 978 23.148 18.623 2.971 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 979 23.062 12.778 5.089 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 979 22.398 12.532 5.732 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 979 22.620 13.400 4.512 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 980 25.497 12.799 8.437 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 980 25.131 12.034 8.880 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 980 26.410 12.828 8.724 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 981 27.470 12.150 9.973 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 981 28.369 11.876 9.788 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 981 27.084 11.407 10.437 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 982 23.453 18.421 16.674 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 982 23.005 19.267 16.656 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 982 22.892 17.841 16.159 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 983 29.547 15.411 11.224 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 983 29.117 14.966 11.954 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 983 28.829 15.783 10.712 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 984 22.790 15.153 18.276 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 984 23.421 15.124 18.996 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 984 23.239 14.728 17.546 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 985 25.838 16.994 17.384 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 985 24.950 17.094 17.044 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 985 26.135 16.152 17.038 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 986 28.166 18.189 12.607 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 986 27.623 17.809 11.916 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 986 29.000 18.383 12.178 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 987 27.333 14.289 16.862 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 987 27.016 13.387 16.827 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 987 28.114 14.291 16.310 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 988 24.756 20.429 12.304 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 988 25.372 21.056 12.683 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 988 23.894 20.745 12.575 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 989 28.527 14.528 13.633 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 989 28.445 15.417 13.979 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 989 29.418 14.263 13.864 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 990 25.102 17.620 11.809 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 990 25.058 18.559 11.988 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 990 24.215 17.384 11.539 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 991 25.538 12.285 17.776 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 991 24.762 12.051 17.268 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 991 26.070 11.488 17.784 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 992 26.236 13.999 12.022 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 992 26.727 13.369 11.494 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 992 26.860 14.295 12.685 0.00 0.00 WAT1 END