REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2010 13:35:06 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 6.323 21.793 -14.583 1.00 72.03 ATOM 2 CB MET 1 5.803 23.835 -14.192 1.00 14.24 ATOM 3 HB1 MET 1 4.886 24.398 -14.063 1.00 37.83 ATOM 4 HB2 MET 1 6.422 24.348 -14.918 1.00 52.31 ATOM 5 CG MET 1 6.564 23.809 -12.876 1.00 71.21 ATOM 6 HG1 MET 1 7.613 23.661 -13.089 1.00 37.83 ATOM 7 HG2 MET 1 6.202 22.984 -12.275 1.00 64.42 ATOM 8 SD MET 1 6.379 25.336 -11.936 1.00 11.22 ATOM 9 CE MET 1 6.380 24.704 -10.260 1.00 14.21 ATOM 10 HE1 MET 1 5.557 24.017 -10.134 1.00 11.24 ATOM 11 HE2 MET 1 6.274 25.524 -9.566 1.00 54.24 ATOM 12 HE3 MET 1 7.310 24.190 -10.070 1.00 34.42 ATOM 13 C MET 1 4.266 21.871 -13.993 1.00 23.23 ATOM 14 O MET 1 3.282 22.569 -13.754 1.00 2.31 ATOM 15 N MET 1 5.216 22.507 -16.168 1.00 75.23 ATOM 16 HT1 MET 1 4.400 23.124 -16.374 1.00 37.83 ATOM 17 HT2 MET 1 5.015 21.554 -16.541 1.00 37.83 ATOM 18 HT3 MET 1 6.051 22.882 -16.667 1.00 37.83 ATOM 19 CA MET 1 5.470 22.444 -14.734 1.00 21.22 ATOM 20 N GLY 2 4.352 20.594 -13.631 1.00 51.03 ATOM 21 HN GLY 2 5.168 20.080 -13.836 1.00 37.83 ATOM 22 CA GLY 2 3.263 19.949 -12.922 1.00 14.35 ATOM 23 HA1 GLY 2 2.346 20.514 -13.049 1.00 37.83 ATOM 24 HA2 GLY 2 3.508 19.929 -11.870 1.00 51.40 ATOM 25 C GLY 2 3.032 18.525 -13.385 1.00 34.42 ATOM 26 O GLY 2 3.938 17.693 -13.335 1.00 24.14 ATOM 27 N HIS 3 1.814 18.241 -13.836 1.00 32.42 ATOM 28 HN HIS 3 1.121 18.939 -13.857 1.00 37.83 ATOM 29 CA HIS 3 1.466 16.906 -14.309 1.00 31.51 ATOM 30 HA HIS 3 0.410 16.920 -14.530 1.00 71.23 ATOM 31 CB HIS 3 2.261 16.565 -15.570 1.00 22.25 ATOM 32 HB1 HIS 3 3.225 16.145 -15.312 1.00 37.83 ATOM 33 HB2 HIS 3 2.423 17.472 -16.137 1.00 13.53 ATOM 34 CG HIS 3 1.560 15.602 -16.478 1.00 4.10 ATOM 35 ND1 HIS 3 2.137 15.091 -17.622 1.00 32.25 ATOM 36 HD1 HIS 3 3.037 15.298 -17.951 1.00 31.32 ATOM 37 CD2 HIS 3 0.324 15.056 -16.405 1.00 40.11 ATOM 38 HD2 HIS 3 -0.411 15.231 -15.632 1.00 64.31 ATOM 39 CE1 HIS 3 1.285 14.273 -18.214 1.00 13.32 ATOM 40 HE1 HIS 3 1.464 13.728 -19.129 1.00 33.21 ATOM 41 NE2 HIS 3 0.177 14.234 -17.495 1.00 51.34 ATOM 42 HE2 HIS 3 -0.650 13.777 -17.756 1.00 37.83 ATOM 43 C HIS 3 1.729 15.861 -13.229 1.00 25.41 ATOM 44 O HIS 3 2.420 14.869 -13.466 1.00 32.43 ATOM 45 N HIS 4 1.176 16.090 -12.042 1.00 50.24 ATOM 46 HN HIS 4 0.644 16.910 -11.904 1.00 37.83 ATOM 47 CA HIS 4 1.352 15.168 -10.926 1.00 14.54 ATOM 48 HA HIS 4 1.528 14.175 -11.329 1.00 3.15 ATOM 49 CB HIS 4 2.550 15.589 -10.074 1.00 34.34 ATOM 50 HB1 HIS 4 2.257 16.367 -9.380 1.00 37.83 ATOM 51 HB2 HIS 4 3.325 15.974 -10.722 1.00 41.32 ATOM 52 CG HIS 4 3.148 14.464 -9.285 1.00 53.43 ATOM 53 ND1 HIS 4 3.517 14.586 -7.962 1.00 60.03 ATOM 54 HD1 HIS 4 3.430 15.395 -7.416 1.00 75.24 ATOM 55 CD2 HIS 4 3.439 13.191 -9.640 1.00 73.01 ATOM 56 HD2 HIS 4 3.280 12.744 -10.611 1.00 51.01 ATOM 57 CE1 HIS 4 4.011 13.437 -7.538 1.00 31.50 ATOM 58 HE1 HIS 4 4.381 13.237 -6.543 1.00 23.11 ATOM 59 NE2 HIS 4 3.974 12.573 -8.537 1.00 1.12 ATOM 60 HE2 HIS 4 4.190 11.620 -8.467 1.00 37.83 ATOM 61 C HIS 4 0.094 15.113 -10.064 1.00 12.22 ATOM 62 O HIS 4 -0.680 16.070 -10.014 1.00 44.31 ATOM 63 N HIS 5 -0.105 13.987 -9.387 1.00 30.41 ATOM 64 HN HIS 5 0.541 13.247 -9.470 1.00 37.83 ATOM 65 CA HIS 5 -1.269 13.807 -8.527 1.00 34.30 ATOM 66 HA HIS 5 -1.764 14.767 -8.405 1.00 44.54 ATOM 67 CB HIS 5 -2.255 12.827 -9.165 1.00 42.45 ATOM 68 HB1 HIS 5 -1.935 11.808 -8.985 1.00 37.83 ATOM 69 HB2 HIS 5 -2.279 13.000 -10.232 1.00 3.23 ATOM 70 CG HIS 5 -3.657 12.975 -8.661 1.00 73.40 ATOM 71 ND1 HIS 5 -4.319 14.184 -8.620 1.00 33.51 ATOM 72 HD1 HIS 5 -3.954 15.047 -8.906 1.00 45.25 ATOM 73 CD2 HIS 5 -4.525 12.056 -8.176 1.00 62.43 ATOM 74 HD2 HIS 5 -4.340 10.997 -8.064 1.00 10.24 ATOM 75 CE1 HIS 5 -5.533 14.002 -8.130 1.00 43.10 ATOM 76 HE1 HIS 5 -6.277 14.771 -7.983 1.00 71.24 ATOM 77 NE2 HIS 5 -5.683 12.719 -7.853 1.00 42.33 ATOM 78 HE2 HIS 5 -6.521 12.297 -7.570 1.00 37.83 ATOM 79 C HIS 5 -0.854 13.302 -7.148 1.00 41.43 ATOM 80 O HIS 5 -0.509 12.132 -6.982 1.00 43.11 ATOM 81 N HIS 6 -0.889 14.193 -6.162 1.00 42.33 ATOM 82 HN HIS 6 -1.187 15.115 -6.350 1.00 37.83 ATOM 83 CA HIS 6 -0.516 13.838 -4.798 1.00 4.24 ATOM 84 HA HIS 6 0.228 13.048 -4.834 1.00 14.13 ATOM 85 CB HIS 6 0.080 15.049 -4.078 1.00 33.31 ATOM 86 HB1 HIS 6 -0.078 14.956 -3.009 1.00 37.83 ATOM 87 HB2 HIS 6 -0.409 15.949 -4.424 1.00 1.33 ATOM 88 CG HIS 6 1.553 15.209 -4.294 1.00 50.45 ATOM 89 ND1 HIS 6 2.481 14.276 -3.882 1.00 15.33 ATOM 90 HD1 HIS 6 2.281 13.436 -3.418 1.00 35.42 ATOM 91 CD2 HIS 6 2.258 16.202 -4.886 1.00 52.03 ATOM 92 HD2 HIS 6 1.851 17.101 -5.328 1.00 4.33 ATOM 93 CE1 HIS 6 3.692 14.689 -4.209 1.00 22.24 ATOM 94 HE1 HIS 6 4.614 14.162 -4.012 1.00 21.22 ATOM 95 NE2 HIS 6 3.585 15.855 -4.820 1.00 33.22 ATOM 96 HE2 HIS 6 4.321 16.335 -5.254 1.00 37.83 ATOM 97 C HIS 6 -1.721 13.314 -4.024 1.00 33.33 ATOM 98 O HIS 6 -2.862 13.444 -4.469 1.00 32.23 ATOM 99 N HIS 7 -1.461 12.720 -2.863 1.00 61.44 ATOM 100 HN HIS 7 -0.524 12.635 -2.563 1.00 37.83 ATOM 101 CA HIS 7 -2.525 12.175 -2.028 1.00 0.05 ATOM 102 HA HIS 7 -3.356 12.873 -2.042 1.00 31.52 ATOM 103 CB HIS 7 -3.006 10.836 -2.586 1.00 75.24 ATOM 104 HB1 HIS 7 -2.179 10.139 -2.601 1.00 37.83 ATOM 105 HB2 HIS 7 -3.360 10.984 -3.595 1.00 72.33 ATOM 106 CG HIS 7 -4.121 10.223 -1.796 1.00 30.22 ATOM 107 ND1 HIS 7 -5.210 10.941 -1.348 1.00 63.10 ATOM 108 HD1 HIS 7 -5.365 11.898 -1.494 1.00 15.34 ATOM 109 CD2 HIS 7 -4.312 8.951 -1.375 1.00 33.33 ATOM 110 HD2 HIS 7 -3.652 8.113 -1.549 1.00 41.43 ATOM 111 CE1 HIS 7 -6.021 10.137 -0.684 1.00 55.42 ATOM 112 HE1 HIS 7 -6.953 10.423 -0.220 1.00 52.13 ATOM 113 NE2 HIS 7 -5.500 8.924 -0.686 1.00 71.12 ATOM 114 HE2 HIS 7 -5.944 8.118 -0.348 1.00 37.83 ATOM 115 C HIS 7 -2.049 11.998 -0.589 1.00 21.31 ATOM 116 O HIS 7 -1.116 11.239 -0.322 1.00 11.32 ATOM 117 N HIS 8 -2.695 12.703 0.334 1.00 30.34 ATOM 118 HN HIS 8 -3.431 13.301 0.060 1.00 37.83 ATOM 119 CA HIS 8 -2.337 12.623 1.746 1.00 13.03 ATOM 120 HA HIS 8 -2.304 11.578 2.028 1.00 73.14 ATOM 121 CB HIS 8 -0.960 13.243 1.981 1.00 44.33 ATOM 122 HB1 HIS 8 -0.234 12.754 1.350 1.00 37.83 ATOM 123 HB2 HIS 8 -0.678 13.100 3.014 1.00 1.23 ATOM 124 CG HIS 8 -0.907 14.712 1.692 1.00 10.03 ATOM 125 ND1 HIS 8 -0.341 15.235 0.549 1.00 74.35 ATOM 126 HD1 HIS 8 0.074 14.718 -0.172 1.00 52.33 ATOM 127 CD2 HIS 8 -1.355 15.771 2.406 1.00 13.03 ATOM 128 HD2 HIS 8 -1.857 15.733 3.363 1.00 24.14 ATOM 129 CE1 HIS 8 -0.442 16.552 0.572 1.00 35.41 ATOM 130 HE1 HIS 8 -0.086 17.227 -0.193 1.00 73.03 ATOM 131 NE2 HIS 8 -1.054 16.903 1.689 1.00 74.42 ATOM 132 HE2 HIS 8 -1.343 17.812 1.913 1.00 37.83 ATOM 133 C HIS 8 -3.379 13.327 2.611 1.00 22.52 ATOM 134 O HIS 8 -4.114 14.191 2.134 1.00 33.15 ATOM 135 N SER 9 -3.436 12.949 3.884 1.00 0.55 ATOM 136 HN SER 9 -2.821 12.247 4.207 1.00 37.83 ATOM 137 CA SER 9 -4.391 13.541 4.815 1.00 64.13 ATOM 138 HA SER 9 -4.279 14.618 4.772 1.00 34.34 ATOM 139 CB SER 9 -5.821 13.176 4.411 1.00 3.54 ATOM 140 HB1 SER 9 -6.123 13.805 3.586 1.00 37.83 ATOM 141 HB2 SER 9 -6.499 13.332 5.241 1.00 52.14 ATOM 142 OG SER 9 -5.905 11.824 3.996 1.00 4.15 ATOM 143 HG SER 9 -5.955 11.252 4.766 1.00 5.23 ATOM 144 C SER 9 -4.118 13.075 6.242 1.00 53.32 ATOM 145 O SER 9 -3.644 11.961 6.464 1.00 70.43 ATOM 146 N HIS 10 -4.422 13.937 7.207 1.00 2.40 ATOM 147 HN HIS 10 -4.790 14.821 6.973 1.00 37.83 ATOM 148 CA HIS 10 -4.211 13.615 8.614 1.00 42.41 ATOM 149 HA HIS 10 -4.005 12.554 8.706 1.00 65.05 ATOM 150 CB HIS 10 -3.009 14.386 9.160 1.00 4.05 ATOM 151 HB1 HIS 10 -2.139 14.145 8.566 1.00 37.83 ATOM 152 HB2 HIS 10 -2.829 14.091 10.184 1.00 51.44 ATOM 153 CG HIS 10 -3.187 15.873 9.132 1.00 32.24 ATOM 154 ND1 HIS 10 -3.452 16.620 10.260 1.00 13.53 ATOM 155 HD1 HIS 10 -3.549 16.269 11.170 1.00 14.35 ATOM 156 CD2 HIS 10 -3.135 16.751 8.104 1.00 55.40 ATOM 157 HD2 HIS 10 -2.945 16.513 7.067 1.00 10.53 ATOM 158 CE1 HIS 10 -3.558 17.894 9.927 1.00 43.34 ATOM 159 HE1 HIS 10 -3.763 18.709 10.605 1.00 4.43 ATOM 160 NE2 HIS 10 -3.369 18.001 8.624 1.00 71.23 ATOM 161 HE2 HIS 10 -3.487 18.822 8.102 1.00 37.83 ATOM 162 C HIS 10 -5.454 13.938 9.437 1.00 20.15 ATOM 163 O HIS 10 -6.076 14.984 9.256 1.00 3.44 ATOM 164 N MET 11 -5.810 13.031 10.342 1.00 55.44 ATOM 165 HN MET 11 -5.266 12.214 10.449 1.00 37.83 ATOM 166 CA MET 11 -6.979 13.220 11.193 1.00 54.41 ATOM 167 HA MET 11 -7.813 13.508 10.560 1.00 5.32 ATOM 168 CB MET 11 -7.327 11.917 11.915 1.00 4.45 ATOM 169 HB1 MET 11 -7.890 12.152 12.813 1.00 37.83 ATOM 170 HB2 MET 11 -6.412 11.416 12.200 1.00 33.10 ATOM 171 CG MET 11 -8.152 10.957 11.074 1.00 1.22 ATOM 172 HG1 MET 11 -7.502 10.487 10.351 1.00 37.83 ATOM 173 HG2 MET 11 -8.918 11.517 10.552 1.00 32.42 ATOM 174 SD MET 11 -8.963 9.687 12.064 1.00 0.23 ATOM 175 CE MET 11 -8.079 8.224 11.529 1.00 51.44 ATOM 176 HE1 MET 11 -7.028 8.338 11.750 1.00 33.34 ATOM 177 HE2 MET 11 -8.211 8.092 10.465 1.00 22.11 ATOM 178 HE3 MET 11 -8.465 7.360 12.049 1.00 33.32 ATOM 179 C MET 11 -6.737 14.331 12.210 1.00 31.34 ATOM 180 O MET 11 -5.605 14.560 12.635 1.00 31.43 ATOM 181 N ALA 12 -7.807 15.017 12.596 1.00 14.44 ATOM 182 HN ALA 12 -8.689 14.794 12.211 1.00 37.83 ATOM 183 CA ALA 12 -7.711 16.102 13.565 1.00 4.31 ATOM 184 HA ALA 12 -7.073 15.779 14.380 1.00 1.12 ATOM 185 CB ALA 12 -7.071 17.326 12.925 1.00 22.52 ATOM 186 HB1 ALA 12 -6.951 18.104 13.666 1.00 70.21 ATOM 187 HB2 ALA 12 -7.698 17.687 12.122 1.00 21.24 ATOM 188 HB3 ALA 12 -6.103 17.057 12.529 1.00 73.01 ATOM 189 C ALA 12 -9.081 16.456 14.133 1.00 72.54 ATOM 190 O ALA 12 -10.111 16.143 13.536 1.00 75.34 ATOM 191 N LYS 13 -9.087 17.109 15.290 1.00 62.34 ATOM 192 HN LYS 13 -8.231 17.346 15.719 1.00 37.83 ATOM 193 CA LYS 13 -10.331 17.506 15.939 1.00 64.43 ATOM 194 HA LYS 13 -11.132 16.933 15.501 1.00 54.50 ATOM 195 CB LYS 13 -10.259 17.221 17.441 1.00 55.23 ATOM 196 HB1 LYS 13 -10.942 17.865 17.979 1.00 37.83 ATOM 197 HB2 LYS 13 -9.255 17.431 17.785 1.00 15.25 ATOM 198 CG LYS 13 -10.580 15.781 17.803 1.00 51.40 ATOM 199 HG1 LYS 13 -10.381 15.644 18.856 1.00 37.83 ATOM 200 HG2 LYS 13 -9.947 15.121 17.226 1.00 50.52 ATOM 201 CD LYS 13 -12.035 15.446 17.521 1.00 41.14 ATOM 202 HD1 LYS 13 -12.230 15.539 16.465 1.00 37.83 ATOM 203 HD2 LYS 13 -12.667 16.125 18.071 1.00 60.21 ATOM 204 CE LYS 13 -12.375 14.029 17.956 1.00 63.35 ATOM 205 HE1 LYS 13 -11.735 13.335 17.429 1.00 37.83 ATOM 206 HE2 LYS 13 -13.405 13.828 17.702 1.00 25.21 ATOM 207 NZ LYS 13 -12.195 13.840 19.422 1.00 53.42 ATOM 208 HZ1 LYS 13 -12.599 12.926 19.710 1.00 43.10 ATOM 209 HZ2 LYS 13 -12.675 14.596 19.954 1.00 65.31 ATOM 210 HZ3 LYS 13 -11.185 13.846 19.666 1.00 61.11 ATOM 211 C LYS 13 -10.619 18.985 15.704 1.00 61.12 ATOM 212 O LYS 13 -9.727 19.773 15.389 1.00 54.42 ATOM 213 N PRO 14 -11.893 19.373 15.861 1.00 32.34 ATOM 214 CA PRO 14 -12.328 20.760 15.673 1.00 4.12 ATOM 215 HA PRO 14 -12.031 21.136 14.702 1.00 34.20 ATOM 216 CB PRO 14 -13.854 20.665 15.733 1.00 52.12 ATOM 217 HB1 PRO 14 -14.244 20.559 14.732 1.00 37.83 ATOM 218 HB2 PRO 14 -14.279 21.550 16.193 1.00 73.13 ATOM 219 CG PRO 14 -14.126 19.444 16.542 1.00 14.21 ATOM 220 HG1 PRO 14 -15.075 19.016 16.254 1.00 37.83 ATOM 221 HG2 PRO 14 -14.129 19.693 17.593 1.00 12.13 ATOM 222 CD PRO 14 -13.008 18.487 16.236 1.00 72.30 ATOM 223 HD1 PRO 14 -13.278 17.832 15.421 1.00 37.83 ATOM 224 HD2 PRO 14 -12.785 17.930 17.112 1.00 74.23 ATOM 225 C PRO 14 -11.808 21.684 16.770 1.00 71.14 ATOM 226 O PRO 14 -12.173 21.546 17.938 1.00 75.14 ATOM 227 N THR 15 -10.953 22.627 16.387 1.00 55.55 ATOM 228 HN THR 15 -10.700 22.689 15.437 1.00 37.83 ATOM 229 CA THR 15 -10.383 23.574 17.337 1.00 33.20 ATOM 230 HA THR 15 -10.089 23.033 18.230 1.00 20.24 ATOM 231 CB THR 15 -9.130 24.261 16.763 1.00 61.34 ATOM 232 HB THR 15 -8.717 24.921 17.514 1.00 22.44 ATOM 233 OG1 THR 15 -9.479 25.030 15.607 1.00 54.14 ATOM 234 HG1 THR 15 -9.759 24.463 14.879 1.00 21.54 ATOM 235 CG2 THR 15 -8.071 23.233 16.393 1.00 70.00 ATOM 236 HG21 THR 15 -7.794 22.665 17.270 1.00 53.30 ATOM 237 HG22 THR 15 -7.200 23.740 16.005 1.00 32.10 ATOM 238 HG23 THR 15 -8.461 22.565 15.639 1.00 62.12 ATOM 239 C THR 15 -11.400 24.641 17.728 1.00 64.44 ATOM 240 O THR 15 -11.436 25.087 18.874 1.00 61.40 ATOM 241 N ALA 16 -12.224 25.045 16.767 1.00 14.43 ATOM 242 HN ALA 16 -12.151 24.668 15.861 1.00 37.83 ATOM 243 CA ALA 16 -13.244 26.058 17.012 1.00 5.33 ATOM 244 HA ALA 16 -13.123 26.454 18.015 1.00 0.44 ATOM 245 CB ALA 16 -13.077 27.220 16.044 1.00 63.22 ATOM 246 HB1 ALA 16 -13.226 26.874 15.031 1.00 12.32 ATOM 247 HB2 ALA 16 -12.080 27.625 16.140 1.00 4.21 ATOM 248 HB3 ALA 16 -13.800 27.991 16.272 1.00 74.22 ATOM 249 C ALA 16 -14.644 25.467 16.896 1.00 53.00 ATOM 250 O ALA 16 -14.852 24.469 16.205 1.00 3.32 ATOM 251 N ARG 17 -15.602 26.088 17.576 1.00 12.33 ATOM 252 HN ARG 17 -15.382 26.893 18.102 1.00 37.83 ATOM 253 CA ARG 17 -16.983 25.622 17.550 1.00 32.34 ATOM 254 HA ARG 17 -17.006 24.594 17.204 1.00 51.51 ATOM 255 CB ARG 17 -17.589 25.677 18.954 1.00 0.00 ATOM 256 HB1 ARG 17 -18.670 25.619 18.878 1.00 37.83 ATOM 257 HB2 ARG 17 -17.322 26.618 19.415 1.00 34.23 ATOM 258 CG ARG 17 -17.122 24.552 19.864 1.00 51.34 ATOM 259 HG1 ARG 17 -16.059 24.654 20.032 1.00 37.83 ATOM 260 HG2 ARG 17 -17.322 23.605 19.382 1.00 40.34 ATOM 261 CD ARG 17 -17.846 24.580 21.201 1.00 51.24 ATOM 262 HD1 ARG 17 -17.880 23.578 21.602 1.00 37.83 ATOM 263 HD2 ARG 17 -18.863 24.924 21.049 1.00 74.33 ATOM 264 NE ARG 17 -17.194 25.470 22.157 1.00 13.45 ATOM 265 HE ARG 17 -17.586 26.362 22.282 1.00 14.55 ATOM 266 CZ ARG 17 -16.114 25.136 22.854 1.00 44.21 ATOM 267 NH1 ARG 17 -15.566 23.938 22.700 1.00 11.53 ATOM 268 HH11 ARG 17 -15.941 23.268 22.065 1.00 1.15 ATOM 269 HH12 ARG 17 -14.753 23.696 23.234 1.00 24.21 ATOM 270 NH2 ARG 17 -15.578 26.001 23.706 1.00 50.33 ATOM 271 HH21 ARG 17 -15.986 26.908 23.826 1.00 42.21 ATOM 272 HH22 ARG 17 -14.763 25.751 24.233 1.00 30.13 ATOM 273 C ARG 17 -17.822 26.459 16.589 1.00 0.24 ATOM 274 O ARG 17 -18.253 25.976 15.543 1.00 12.43 ATOM 275 N GLY 18 -18.050 27.718 16.953 1.00 23.31 ATOM 276 HN GLY 18 -17.658 28.067 17.788 1.00 37.83 ATOM 277 CA GLY 18 -18.836 28.602 16.113 1.00 34.21 ATOM 278 HA1 GLY 18 -19.695 28.065 15.727 1.00 37.83 ATOM 279 HA2 GLY 18 -18.224 28.920 15.281 1.00 45.31 ATOM 280 C GLY 18 -19.331 29.824 16.861 1.00 43.11 ATOM 281 O GLY 18 -19.590 29.761 18.062 1.00 3.42 ATOM 282 N GLU 19 -19.460 30.939 16.149 1.00 12.40 ATOM 283 HN GLU 19 -19.242 30.929 15.186 1.00 37.83 ATOM 284 CA GLU 19 -19.924 32.182 16.755 1.00 73.12 ATOM 285 HA GLU 19 -19.746 32.138 17.825 1.00 53.12 ATOM 286 CB GLU 19 -19.153 33.373 16.183 1.00 1.31 ATOM 287 HB1 GLU 19 -19.506 33.575 15.179 1.00 37.83 ATOM 288 HB2 GLU 19 -18.103 33.115 16.126 1.00 42.22 ATOM 289 CG GLU 19 -19.305 34.645 17.000 1.00 4.32 ATOM 290 HG1 GLU 19 -20.325 34.738 17.347 1.00 37.83 ATOM 291 HG2 GLU 19 -19.071 35.487 16.365 1.00 4.51 ATOM 292 CD GLU 19 -18.377 34.683 18.199 1.00 21.41 ATOM 293 OE1 GLU 19 -17.199 34.295 18.051 1.00 33.42 ATOM 294 OE2 GLU 19 -18.829 35.101 19.286 1.00 73.43 ATOM 295 C GLU 19 -21.421 32.373 16.525 1.00 2.41 ATOM 296 O GLU 19 -22.105 33.013 17.323 1.00 31.24 ATOM 297 N ALA 20 -21.921 31.815 15.428 1.00 72.11 ATOM 298 HN ALA 20 -21.339 31.332 14.804 1.00 37.83 ATOM 299 CA ALA 20 -23.336 31.922 15.093 1.00 2.52 ATOM 300 HA ALA 20 -23.492 31.429 14.144 1.00 3.45 ATOM 301 CB ALA 20 -24.181 31.213 16.140 1.00 33.51 ATOM 302 HB1 ALA 20 -24.122 31.735 17.084 1.00 12.14 ATOM 303 HB2 ALA 20 -23.818 30.204 16.268 1.00 61.03 ATOM 304 HB3 ALA 20 -25.210 31.183 15.811 1.00 11.41 ATOM 305 C ALA 20 -23.761 33.382 14.968 1.00 61.53 ATOM 306 O ALA 20 -24.710 33.820 15.616 1.00 75.53 ATOM 307 N GLY 21 -23.050 34.130 14.130 1.00 53.44 ATOM 308 HN GLY 21 -22.299 33.743 13.658 1.00 37.83 ATOM 309 CA GLY 21 -23.369 35.533 13.935 1.00 32.24 ATOM 310 HA1 GLY 21 -22.443 36.081 13.845 1.00 37.83 ATOM 311 HA2 GLY 21 -23.913 35.922 14.788 1.00 70.50 ATOM 312 C GLY 21 -24.187 35.773 12.682 1.00 42.30 ATOM 313 O GLY 21 -25.201 36.470 12.718 1.00 1.23 ATOM 314 N SER 22 -23.745 35.197 11.569 1.00 24.40 ATOM 315 HN SER 22 -22.940 34.640 11.601 1.00 37.83 ATOM 316 CA SER 22 -24.440 35.356 10.297 1.00 4.51 ATOM 317 HA SER 22 -24.976 36.298 10.304 1.00 61.30 ATOM 318 CB SER 22 -23.435 35.385 9.143 1.00 14.12 ATOM 319 HB1 SER 22 -23.926 35.750 8.253 1.00 37.83 ATOM 320 HB2 SER 22 -23.055 34.389 8.959 1.00 10.45 ATOM 321 OG SER 22 -22.342 36.237 9.439 1.00 33.24 ATOM 322 HG SER 22 -21.718 35.777 10.007 1.00 11.02 ATOM 323 C SER 22 -25.446 34.230 10.083 1.00 40.14 ATOM 324 O SER 22 -25.492 33.269 10.851 1.00 44.12 ATOM 325 N ARG 23 -26.251 34.356 9.033 1.00 51.42 ATOM 326 HN ARG 23 -26.168 35.158 8.470 1.00 37.83 ATOM 327 CA ARG 23 -27.258 33.351 8.717 1.00 71.41 ATOM 328 HA ARG 23 -27.775 33.085 9.631 1.00 10.14 ATOM 329 CB ARG 23 -28.278 33.913 7.725 1.00 12.44 ATOM 330 HB1 ARG 23 -28.764 34.762 8.188 1.00 37.83 ATOM 331 HB2 ARG 23 -29.023 33.156 7.514 1.00 55.10 ATOM 332 CG ARG 23 -27.665 34.362 6.409 1.00 23.11 ATOM 333 HG1 ARG 23 -27.435 33.486 5.824 1.00 37.83 ATOM 334 HG2 ARG 23 -26.758 34.916 6.593 1.00 31.40 ATOM 335 CD ARG 23 -28.616 35.253 5.626 1.00 11.22 ATOM 336 HD1 ARG 23 -28.038 35.865 4.947 1.00 37.83 ATOM 337 HD2 ARG 23 -29.149 35.902 6.311 1.00 52.42 ATOM 338 NE ARG 23 -29.589 34.477 4.861 1.00 5.23 ATOM 339 HE ARG 23 -30.521 34.492 5.170 1.00 54.21 ATOM 340 CZ ARG 23 -29.276 33.764 3.785 1.00 55.33 ATOM 341 NH1 ARG 23 -28.025 33.729 3.349 1.00 42.12 ATOM 342 HH11 ARG 23 -27.295 34.231 3.800 1.00 64.44 ATOM 343 HH12 ARG 23 -27.802 33.180 2.540 1.00 73.55 ATOM 344 NH2 ARG 23 -30.217 33.084 3.142 1.00 14.31 ATOM 345 HH21 ARG 23 -31.165 33.106 3.466 1.00 50.31 ATOM 346 HH22 ARG 23 -29.984 32.545 2.330 1.00 3.41 ATOM 347 C ARG 23 -26.610 32.096 8.139 1.00 34.54 ATOM 348 O ARG 23 -27.058 30.978 8.399 1.00 53.45 ATOM 349 N ASP 24 -25.555 32.288 7.356 1.00 72.13 ATOM 350 HN ASP 24 -25.251 33.206 7.171 1.00 37.83 ATOM 351 CA ASP 24 -24.845 31.172 6.742 1.00 72.23 ATOM 352 HA ASP 24 -25.576 30.475 6.349 1.00 11.34 ATOM 353 CB ASP 24 -23.975 31.667 5.585 1.00 12.24 ATOM 354 HB1 ASP 24 -24.603 32.171 4.865 1.00 37.83 ATOM 355 HB2 ASP 24 -23.498 30.822 5.107 1.00 20.33 ATOM 356 CG ASP 24 -22.901 32.635 6.042 1.00 30.43 ATOM 357 OD1 ASP 24 -21.709 32.264 5.994 1.00 11.21 ATOM 358 OD2 ASP 24 -23.252 33.762 6.447 1.00 11.33 ATOM 359 C ASP 24 -23.982 30.445 7.769 1.00 54.42 ATOM 360 O ASP 24 -23.697 29.257 7.624 1.00 13.22 ATOM 361 N GLU 25 -23.569 31.169 8.805 1.00 75.20 ATOM 362 HN GLU 25 -23.807 32.123 8.863 1.00 37.83 ATOM 363 CA GLU 25 -22.737 30.593 9.855 1.00 74.42 ATOM 364 HA GLU 25 -21.809 30.263 9.403 1.00 12.40 ATOM 365 CB GLU 25 -22.436 31.639 10.929 1.00 2.43 ATOM 366 HB1 GLU 25 -22.266 31.133 11.873 1.00 37.83 ATOM 367 HB2 GLU 25 -23.287 32.293 11.037 1.00 32.04 ATOM 368 CG GLU 25 -21.218 32.494 10.622 1.00 64.23 ATOM 369 HG1 GLU 25 -21.479 33.211 9.860 1.00 37.83 ATOM 370 HG2 GLU 25 -20.421 31.859 10.259 1.00 52.41 ATOM 371 CD GLU 25 -20.709 33.243 11.838 1.00 44.44 ATOM 372 OE1 GLU 25 -20.109 34.325 11.661 1.00 75.41 ATOM 373 OE2 GLU 25 -20.910 32.748 12.966 1.00 12.23 ATOM 374 C GLU 25 -23.419 29.382 10.486 1.00 64.31 ATOM 375 O GLU 25 -22.758 28.422 10.884 1.00 11.22 ATOM 376 N ARG 26 -24.744 29.435 10.574 1.00 63.32 ATOM 377 HN ARG 26 -25.223 30.237 10.259 1.00 37.83 ATOM 378 CA ARG 26 -25.515 28.344 11.158 1.00 62.02 ATOM 379 HA ARG 26 -25.244 28.256 12.198 1.00 65.44 ATOM 380 CB ARG 26 -27.013 28.638 11.056 1.00 44.22 ATOM 381 HB1 ARG 26 -27.565 27.734 11.296 1.00 37.83 ATOM 382 HB2 ARG 26 -27.241 28.927 10.040 1.00 11.53 ATOM 383 CG ARG 26 -27.479 29.750 11.982 1.00 74.52 ATOM 384 HG1 ARG 26 -27.361 30.697 11.476 1.00 37.83 ATOM 385 HG2 ARG 26 -26.883 29.747 12.886 1.00 21.33 ATOM 386 CD ARG 26 -28.941 29.578 12.366 1.00 62.24 ATOM 387 HD1 ARG 26 -29.520 29.318 11.488 1.00 37.83 ATOM 388 HD2 ARG 26 -29.290 30.525 12.753 1.00 44.24 ATOM 389 NE ARG 26 -29.122 28.547 13.385 1.00 44.44 ATOM 390 HE ARG 26 -28.381 27.916 13.539 1.00 74.31 ATOM 391 CZ ARG 26 -30.229 28.414 14.106 1.00 60.50 ATOM 392 NH1 ARG 26 -31.249 29.240 13.921 1.00 42.34 ATOM 393 HH11 ARG 26 -31.214 29.971 13.244 1.00 41.01 ATOM 394 HH12 ARG 26 -32.078 29.132 14.473 1.00 30.53 ATOM 395 NH2 ARG 26 -30.318 27.451 15.015 1.00 60.34 ATOM 396 HH21 ARG 26 -29.551 26.822 15.160 1.00 53.40 ATOM 397 HH22 ARG 26 -31.152 27.348 15.561 1.00 65.20 ATOM 398 C ARG 26 -25.197 27.022 10.465 1.00 30.13 ATOM 399 O ARG 26 -25.020 25.994 11.119 1.00 3.15 ATOM 400 N ARG 27 -25.127 27.057 9.139 1.00 73.54 ATOM 401 HN ARG 27 -25.278 27.911 8.668 1.00 37.83 ATOM 402 CA ARG 27 -24.833 25.861 8.358 1.00 42.24 ATOM 403 HA ARG 27 -25.542 25.091 8.640 1.00 43.41 ATOM 404 CB ARG 27 -24.971 26.156 6.863 1.00 42.02 ATOM 405 HB1 ARG 27 -24.289 25.536 6.321 1.00 37.83 ATOM 406 HB2 ARG 27 -24.700 27.188 6.677 1.00 4.03 ATOM 407 CG ARG 27 -26.368 25.906 6.319 1.00 20.31 ATOM 408 HG1 ARG 27 -26.815 25.064 6.833 1.00 37.83 ATOM 409 HG2 ARG 27 -26.291 25.680 5.266 1.00 71.03 ATOM 410 CD ARG 27 -27.259 27.126 6.489 1.00 1.24 ATOM 411 HD1 ARG 27 -27.033 27.830 5.701 1.00 37.83 ATOM 412 HD2 ARG 27 -27.062 27.586 7.449 1.00 31.12 ATOM 413 NE ARG 27 -28.677 26.782 6.426 1.00 22.15 ATOM 414 HE ARG 27 -28.918 25.832 6.317 1.00 61.24 ATOM 415 CZ ARG 27 -29.655 27.677 6.509 1.00 2.11 ATOM 416 NH1 ARG 27 -29.370 28.963 6.657 1.00 42.52 ATOM 417 HH11 ARG 27 -28.425 29.283 6.709 1.00 4.14 ATOM 418 HH12 ARG 27 -30.114 29.632 6.719 1.00 31.45 ATOM 419 NH2 ARG 27 -30.921 27.286 6.444 1.00 71.05 ATOM 420 HH21 ARG 27 -31.143 26.315 6.332 1.00 2.10 ATOM 421 HH22 ARG 27 -31.661 27.959 6.507 1.00 52.21 ATOM 422 C ARG 27 -23.428 25.348 8.658 1.00 23.11 ATOM 423 O ARG 27 -23.153 24.154 8.539 1.00 55.24 ATOM 424 N ALA 28 -22.542 26.258 9.048 1.00 5.41 ATOM 425 HN ALA 28 -22.801 27.200 9.096 1.00 37.83 ATOM 426 CA ALA 28 -21.166 25.898 9.367 1.00 23.20 ATOM 427 HA ALA 28 -20.793 25.242 8.589 1.00 14.12 ATOM 428 CB ALA 28 -20.286 27.139 9.387 1.00 61.11 ATOM 429 HB1 ALA 28 -19.248 26.843 9.414 1.00 45.04 ATOM 430 HB2 ALA 28 -20.509 27.745 10.252 1.00 62.34 ATOM 431 HB3 ALA 28 -20.471 27.712 8.495 1.00 54.34 ATOM 432 C ALA 28 -21.085 25.168 10.704 1.00 51.42 ATOM 433 O ALA 28 -20.644 24.020 10.771 1.00 41.33 ATOM 434 N LEU 29 -21.513 25.841 11.766 1.00 2.42 ATOM 435 HN LEU 29 -21.827 26.765 11.643 1.00 37.83 ATOM 436 CA LEU 29 -21.488 25.257 13.103 1.00 55.23 ATOM 437 HA LEU 29 -20.467 24.986 13.334 1.00 63.20 ATOM 438 CB LEU 29 -21.972 26.277 14.135 1.00 4.14 ATOM 439 HB1 LEU 29 -21.163 26.981 14.281 1.00 37.83 ATOM 440 HB2 LEU 29 -22.123 25.762 15.080 1.00 1.32 ATOM 441 CG LEU 29 -23.237 27.054 13.771 1.00 73.44 ATOM 442 HG LEU 29 -23.562 26.800 12.779 1.00 4.14 ATOM 443 CD1 LEU 29 -24.375 26.694 14.714 1.00 4.22 ATOM 444 HD11 LEU 29 -24.106 26.957 15.728 1.00 12.34 ATOM 445 HD12 LEU 29 -24.569 25.632 14.659 1.00 52.50 ATOM 446 HD13 LEU 29 -25.268 27.233 14.428 1.00 10.41 ATOM 447 CD2 LEU 29 -22.971 28.552 13.800 1.00 61.44 ATOM 448 HD21 LEU 29 -22.141 28.790 13.151 1.00 74.23 ATOM 449 HD22 LEU 29 -22.727 28.856 14.809 1.00 32.11 ATOM 450 HD23 LEU 29 -23.847 29.088 13.471 1.00 12.31 ATOM 451 C LEU 29 -22.355 24.004 13.165 1.00 74.30 ATOM 452 O LEU 29 -22.123 23.117 13.986 1.00 72.33 ATOM 453 N ALA 30 -23.354 23.937 12.290 1.00 1.14 ATOM 454 HN ALA 30 -23.525 24.689 11.680 1.00 37.83 ATOM 455 CA ALA 30 -24.253 22.791 12.243 1.00 23.42 ATOM 456 HA ALA 30 -24.643 22.622 13.239 1.00 74.11 ATOM 457 CB ALA 30 -25.431 23.081 11.325 1.00 0.24 ATOM 458 HB1 ALA 30 -26.025 23.877 11.746 1.00 51.44 ATOM 459 HB2 ALA 30 -26.046 22.196 11.223 1.00 25.00 ATOM 460 HB3 ALA 30 -25.066 23.380 10.354 1.00 5.51 ATOM 461 C ALA 30 -23.518 21.536 11.783 1.00 33.22 ATOM 462 O ALA 30 -23.819 20.430 12.231 1.00 32.13 ATOM 463 N MET 31 -22.555 21.715 10.886 1.00 44.42 ATOM 464 HN MET 31 -22.353 22.620 10.554 1.00 37.83 ATOM 465 CA MET 31 -21.777 20.597 10.366 1.00 71.43 ATOM 466 HA MET 31 -22.331 19.681 10.517 1.00 62.11 ATOM 467 CB MET 31 -21.516 20.781 8.870 1.00 60.04 ATOM 468 HB1 MET 31 -20.818 20.025 8.529 1.00 37.83 ATOM 469 HB2 MET 31 -21.077 21.755 8.715 1.00 3.30 ATOM 470 CG MET 31 -22.772 20.689 8.018 1.00 65.23 ATOM 471 HG1 MET 31 -22.510 20.910 7.001 1.00 37.83 ATOM 472 HG2 MET 31 -23.497 21.406 8.370 1.00 71.32 ATOM 473 SD MET 31 -23.512 19.045 8.047 1.00 64.11 ATOM 474 CE MET 31 -22.461 18.180 6.883 1.00 63.23 ATOM 475 HE1 MET 31 -22.692 17.125 6.901 1.00 12.15 ATOM 476 HE2 MET 31 -21.433 18.330 7.155 1.00 52.51 ATOM 477 HE3 MET 31 -22.631 18.570 5.892 1.00 54.24 ATOM 478 C MET 31 -20.454 20.461 11.112 1.00 64.12 ATOM 479 O MET 31 -19.699 19.514 10.891 1.00 64.20 ATOM 480 N LYS 32 -20.178 21.414 11.996 1.00 64.40 ATOM 481 HN LYS 32 -20.790 22.156 12.132 1.00 37.83 ATOM 482 CA LYS 32 -18.946 21.401 12.776 1.00 62.31 ATOM 483 HA LYS 32 -18.971 22.245 13.449 1.00 53.41 ATOM 484 CB LYS 32 -18.850 20.112 13.596 1.00 74.13 ATOM 485 HB1 LYS 32 -18.067 20.239 14.327 1.00 37.83 ATOM 486 HB2 LYS 32 -18.591 19.283 12.949 1.00 25.14 ATOM 487 CG LYS 32 -20.135 19.759 14.326 1.00 5.21 ATOM 488 HG1 LYS 32 -20.924 19.609 13.606 1.00 37.83 ATOM 489 HG2 LYS 32 -20.404 20.574 14.983 1.00 42.41 ATOM 490 CD LYS 32 -19.982 18.484 15.138 1.00 72.45 ATOM 491 HD1 LYS 32 -19.499 17.725 14.536 1.00 37.83 ATOM 492 HD2 LYS 32 -20.964 18.139 15.427 1.00 44.55 ATOM 493 CE LYS 32 -19.161 18.718 16.396 1.00 12.42 ATOM 494 HE1 LYS 32 -19.735 19.330 17.075 1.00 37.83 ATOM 495 HE2 LYS 32 -18.244 19.228 16.141 1.00 24.53 ATOM 496 NZ LYS 32 -18.812 17.441 17.077 1.00 32.12 ATOM 497 HZ1 LYS 32 -19.676 16.930 17.355 1.00 30.22 ATOM 498 HZ2 LYS 32 -18.253 17.636 17.931 1.00 34.21 ATOM 499 HZ3 LYS 32 -18.251 16.834 16.443 1.00 74.11 ATOM 500 C LYS 32 -17.726 21.530 11.869 1.00 12.31 ATOM 501 O LYS 32 -16.890 20.629 11.806 1.00 61.33 ATOM 502 N ILE 33 -17.631 22.657 11.171 1.00 61.43 ATOM 503 HN ILE 33 -18.327 23.350 11.272 1.00 37.83 ATOM 504 CA ILE 33 -16.512 22.904 10.270 1.00 41.01 ATOM 505 HA ILE 33 -16.280 21.966 9.795 1.00 3.44 ATOM 506 CB ILE 33 -16.884 23.923 9.176 1.00 30.25 ATOM 507 HB ILE 33 -17.113 24.868 9.650 1.00 31.33 ATOM 508 CG1 ILE 33 -18.115 23.446 8.402 1.00 3.24 ATOM 509 HG11 ILE 33 -18.399 24.208 7.689 1.00 37.83 ATOM 510 HG12 ILE 33 -18.936 23.286 9.086 1.00 64.20 ATOM 511 CG2 ILE 33 -15.710 24.140 8.234 1.00 40.33 ATOM 512 HG21 ILE 33 -15.979 24.886 7.498 1.00 71.51 ATOM 513 HG22 ILE 33 -15.457 23.226 7.727 1.00 21.22 ATOM 514 HG23 ILE 33 -14.864 24.484 8.778 1.00 5.00 ATOM 515 CD1 ILE 33 -17.887 22.161 7.638 1.00 53.03 ATOM 516 HD11 ILE 33 -16.953 21.694 7.907 1.00 10.14 ATOM 517 HD12 ILE 33 -17.877 22.376 6.580 1.00 13.30 ATOM 518 HD13 ILE 33 -18.698 21.478 7.849 1.00 15.24 ATOM 519 C ILE 33 -15.295 23.416 11.033 1.00 62.21 ATOM 520 O ILE 33 -15.387 24.319 11.865 1.00 72.32 ATOM 521 N PRO 34 -14.125 22.828 10.743 1.00 24.32 ATOM 522 CA PRO 34 -12.865 23.210 11.389 1.00 34.43 ATOM 523 HA PRO 34 -12.946 23.179 12.466 1.00 12.20 ATOM 524 CB PRO 34 -11.884 22.134 10.917 1.00 42.45 ATOM 525 HB1 PRO 34 -11.851 21.338 11.646 1.00 37.83 ATOM 526 HB2 PRO 34 -10.890 22.546 10.789 1.00 73.44 ATOM 527 CG PRO 34 -12.446 21.650 9.625 1.00 72.40 ATOM 528 HG1 PRO 34 -12.153 20.624 9.460 1.00 37.83 ATOM 529 HG2 PRO 34 -12.101 22.265 8.829 1.00 31.15 ATOM 530 CD PRO 34 -13.941 21.745 9.762 1.00 24.03 ATOM 531 HD1 PRO 34 -14.342 20.815 10.137 1.00 37.83 ATOM 532 HD2 PRO 34 -14.374 21.980 8.815 1.00 0.20 ATOM 533 C PRO 34 -12.389 24.593 10.958 1.00 21.55 ATOM 534 O PRO 34 -11.903 25.375 11.775 1.00 13.24 ATOM 535 N PHE 35 -12.531 24.888 9.671 1.00 71.44 ATOM 536 HN PHE 35 -12.954 24.243 9.084 1.00 37.83 ATOM 537 CA PHE 35 -12.114 26.177 9.131 1.00 34.31 ATOM 538 HA PHE 35 -11.379 26.601 9.803 1.00 2.12 ATOM 539 CB PHE 35 -11.459 25.992 7.761 1.00 54.43 ATOM 540 HB1 PHE 35 -10.498 25.513 7.902 1.00 37.83 ATOM 541 HB2 PHE 35 -11.295 26.955 7.297 1.00 13.24 ATOM 542 CG PHE 35 -12.270 25.150 6.817 1.00 2.14 ATOM 543 CD1 PHE 35 -12.045 23.786 6.718 1.00 51.51 ATOM 544 HD1 PHE 35 -11.272 23.329 7.317 1.00 62.44 ATOM 545 CD2 PHE 35 -13.257 25.722 6.031 1.00 63.24 ATOM 546 HD2 PHE 35 -13.443 26.783 6.097 1.00 35.12 ATOM 547 CE1 PHE 35 -12.789 23.009 5.850 1.00 1.50 ATOM 548 HE1 PHE 35 -12.602 21.950 5.788 1.00 24.31 ATOM 549 CE2 PHE 35 -14.004 24.950 5.161 1.00 30.32 ATOM 550 HE2 PHE 35 -14.762 25.394 4.557 1.00 5.32 ATOM 551 CZ PHE 35 -13.770 23.592 5.072 1.00 74.53 ATOM 552 HZ PHE 35 -14.350 22.988 4.393 1.00 64.43 ATOM 553 C PHE 35 -13.302 27.128 9.016 1.00 73.42 ATOM 554 O PHE 35 -14.457 26.711 8.921 1.00 62.41 ATOM 555 N PRO 36 -13.014 28.438 9.025 1.00 61.53 ATOM 556 CA PRO 36 -14.044 29.476 8.922 1.00 21.52 ATOM 557 HA PRO 36 -14.813 29.343 9.671 1.00 2.54 ATOM 558 CB PRO 36 -13.274 30.768 9.203 1.00 1.33 ATOM 559 HB1 PRO 36 -13.347 31.007 10.253 1.00 37.83 ATOM 560 HB2 PRO 36 -13.676 31.580 8.621 1.00 14.51 ATOM 561 CG PRO 36 -11.867 30.462 8.821 1.00 50.02 ATOM 562 HG1 PRO 36 -11.187 31.070 9.398 1.00 37.83 ATOM 563 HG2 PRO 36 -11.733 30.639 7.777 1.00 62.20 ATOM 564 CD PRO 36 -11.660 29.006 9.135 1.00 10.11 ATOM 565 HD1 PRO 36 -11.273 28.889 10.137 1.00 37.83 ATOM 566 HD2 PRO 36 -10.986 28.574 8.421 1.00 22.22 ATOM 567 C PRO 36 -14.681 29.525 7.538 1.00 40.33 ATOM 568 O PRO 36 -14.075 29.113 6.548 1.00 5.50 ATOM 569 N THR 37 -15.908 30.033 7.474 1.00 72.33 ATOM 570 HN THR 37 -16.321 30.387 8.296 1.00 37.83 ATOM 571 CA THR 37 -16.628 30.136 6.211 1.00 63.45 ATOM 572 HA THR 37 -16.531 29.202 5.694 1.00 70.20 ATOM 573 CB THR 37 -18.128 30.403 6.438 1.00 25.35 ATOM 574 HB THR 37 -18.649 30.261 5.505 1.00 34.50 ATOM 575 OG1 THR 37 -18.323 31.750 6.881 1.00 14.41 ATOM 576 HG1 THR 37 -18.481 32.322 6.125 1.00 73.11 ATOM 577 CG2 THR 37 -18.699 29.438 7.466 1.00 22.25 ATOM 578 HG21 THR 37 -19.772 29.556 7.504 1.00 23.42 ATOM 579 HG22 THR 37 -18.285 29.651 8.439 1.00 75.33 ATOM 580 HG23 THR 37 -18.463 28.420 7.187 1.00 12.30 ATOM 581 C THR 37 -16.052 31.246 5.339 1.00 72.12 ATOM 582 O THR 37 -15.950 31.102 4.120 1.00 33.24 ATOM 583 N ASP 38 -15.677 32.353 5.970 1.00 21.22 ATOM 584 HN ASP 38 -15.800 32.422 6.946 1.00 37.83 ATOM 585 CA ASP 38 -15.109 33.488 5.252 1.00 74.23 ATOM 586 HA ASP 38 -15.867 33.875 4.586 1.00 23.04 ATOM 587 CB ASP 38 -14.705 34.589 6.233 1.00 41.22 ATOM 588 HB1 ASP 38 -15.505 34.745 6.942 1.00 37.83 ATOM 589 HB2 ASP 38 -14.534 35.504 5.685 1.00 52.32 ATOM 590 CG ASP 38 -13.442 34.248 6.998 1.00 24.41 ATOM 591 OD1 ASP 38 -12.343 34.384 6.420 1.00 32.21 ATOM 592 OD2 ASP 38 -13.551 33.843 8.175 1.00 52.13 ATOM 593 C ASP 38 -13.902 33.058 4.424 1.00 51.31 ATOM 594 O ASP 38 -13.656 33.591 3.341 1.00 14.14 ATOM 595 N LYS 39 -13.150 32.092 4.941 1.00 54.34 ATOM 596 HN LYS 39 -13.379 31.711 5.821 1.00 37.83 ATOM 597 CA LYS 39 -11.968 31.590 4.250 1.00 32.05 ATOM 598 HA LYS 39 -11.362 32.431 3.954 1.00 1.21 ATOM 599 CB LYS 39 -11.141 30.707 5.188 1.00 14.42 ATOM 600 HB1 LYS 39 -11.750 29.882 5.530 1.00 37.83 ATOM 601 HB2 LYS 39 -10.849 31.308 6.037 1.00 2.02 ATOM 602 CG LYS 39 -9.885 30.147 4.545 1.00 4.02 ATOM 603 HG1 LYS 39 -9.366 30.936 4.020 1.00 37.83 ATOM 604 HG2 LYS 39 -10.186 29.384 3.852 1.00 11.54 ATOM 605 CD LYS 39 -8.964 29.517 5.577 1.00 61.02 ATOM 606 HD1 LYS 39 -8.442 28.692 5.113 1.00 37.83 ATOM 607 HD2 LYS 39 -9.542 29.145 6.414 1.00 73.12 ATOM 608 CE LYS 39 -7.939 30.516 6.093 1.00 35.54 ATOM 609 HE1 LYS 39 -7.592 30.180 7.059 1.00 37.83 ATOM 610 HE2 LYS 39 -8.399 31.490 6.202 1.00 35.22 ATOM 611 NZ LYS 39 -6.768 30.631 5.181 1.00 73.10 ATOM 612 HZ1 LYS 39 -6.089 31.321 5.562 1.00 14.41 ATOM 613 HZ2 LYS 39 -7.073 30.950 4.238 1.00 62.11 ATOM 614 HZ3 LYS 39 -6.291 29.710 5.086 1.00 2.31 ATOM 615 C LYS 39 -12.360 30.800 3.005 1.00 5.35 ATOM 616 O LYS 39 -11.583 30.696 2.056 1.00 65.11 ATOM 617 N ILE 40 -13.568 30.248 3.016 1.00 21.13 ATOM 618 HN ILE 40 -14.141 30.355 3.796 1.00 37.83 ATOM 619 CA ILE 40 -14.062 29.470 1.887 1.00 51.52 ATOM 620 HA ILE 40 -13.325 28.709 1.650 1.00 41.14 ATOM 621 CB ILE 40 -15.390 28.767 2.225 1.00 2.22 ATOM 622 HB ILE 40 -16.129 29.518 2.450 1.00 55.02 ATOM 623 CG1 ILE 40 -15.213 27.853 3.440 1.00 50.43 ATOM 624 HG11 ILE 40 -14.774 28.407 4.257 1.00 37.83 ATOM 625 HG12 ILE 40 -14.557 27.036 3.180 1.00 10.32 ATOM 626 CG2 ILE 40 -15.889 27.974 1.027 1.00 75.00 ATOM 627 HG21 ILE 40 -16.097 26.950 1.298 1.00 31.23 ATOM 628 HG22 ILE 40 -15.172 27.977 0.228 1.00 5.41 ATOM 629 HG23 ILE 40 -16.802 28.428 0.680 1.00 44.10 ATOM 630 CD1 ILE 40 -16.511 27.264 3.946 1.00 24.31 ATOM 631 HD11 ILE 40 -16.880 26.539 3.247 1.00 12.11 ATOM 632 HD12 ILE 40 -17.246 28.048 4.060 1.00 34.15 ATOM 633 HD13 ILE 40 -16.345 26.792 4.902 1.00 53.30 ATOM 634 C ILE 40 -14.265 30.352 0.659 1.00 13.34 ATOM 635 O ILE 40 -14.065 29.914 -0.473 1.00 60.15 ATOM 636 N VAL 41 -14.663 31.599 0.892 1.00 10.15 ATOM 637 HN VAL 41 -14.829 31.898 1.816 1.00 37.83 ATOM 638 CA VAL 41 -14.891 32.545 -0.194 1.00 24.42 ATOM 639 HA VAL 41 -15.049 31.993 -1.116 1.00 62.54 ATOM 640 CB VAL 41 -16.144 33.402 0.062 1.00 12.20 ATOM 641 HB VAL 41 -15.959 34.043 0.915 1.00 25.15 ATOM 642 CG1 VAL 41 -16.441 34.286 -1.140 1.00 33.31 ATOM 643 HG11 VAL 41 -15.668 35.029 -1.250 1.00 61.44 ATOM 644 HG12 VAL 41 -17.389 34.789 -0.997 1.00 22.03 ATOM 645 HG13 VAL 41 -16.491 33.683 -2.037 1.00 2.25 ATOM 646 CG2 VAL 41 -17.337 32.517 0.391 1.00 23.11 ATOM 647 HG21 VAL 41 -18.187 33.138 0.627 1.00 23.22 ATOM 648 HG22 VAL 41 -17.113 31.891 1.243 1.00 32.24 ATOM 649 HG23 VAL 41 -17.570 31.900 -0.458 1.00 24.40 ATOM 650 C VAL 41 -13.689 33.464 -0.383 1.00 33.02 ATOM 651 O VAL 41 -13.463 33.991 -1.471 1.00 73.43 ATOM 652 N ASN 42 -12.921 33.652 0.685 1.00 30.03 ATOM 653 HN ASN 42 -13.148 33.217 1.536 1.00 37.83 ATOM 654 CA ASN 42 -11.742 34.508 0.637 1.00 5.43 ATOM 655 HA ASN 42 -12.010 35.429 0.130 1.00 21.32 ATOM 656 CB ASN 42 -11.262 34.832 2.054 1.00 75.20 ATOM 657 HB1 ASN 42 -10.194 35.017 2.045 1.00 37.83 ATOM 658 HB2 ASN 42 -11.459 34.005 2.703 1.00 42.02 ATOM 659 CG ASN 42 -11.932 36.068 2.623 1.00 72.23 ATOM 660 OD1 ASN 42 -11.276 36.929 3.209 1.00 40.04 ATOM 661 ND2 ASN 42 -13.246 36.160 2.452 1.00 1.21 ATOM 662 HD21 ASN 42 -13.735 35.454 1.990 1.00 73.15 ATOM 663 HD22 ASN 42 -13.687 36.960 2.808 1.00 13.32 ATOM 664 C ASN 42 -10.618 33.843 -0.152 1.00 11.20 ATOM 665 O ASN 42 -10.000 34.465 -1.017 1.00 62.22 ATOM 666 N LEU 43 -10.359 32.576 0.151 1.00 34.04 ATOM 667 HN LEU 43 -10.885 32.130 0.857 1.00 37.83 ATOM 668 CA LEU 43 -9.311 31.825 -0.530 1.00 23.12 ATOM 669 HA LEU 43 -8.400 32.389 -0.422 1.00 1.52 ATOM 670 CB LEU 43 -9.148 30.444 0.108 1.00 12.24 ATOM 671 HB1 LEU 43 -8.730 29.761 -0.622 1.00 37.83 ATOM 672 HB2 LEU 43 -10.131 30.079 0.360 1.00 5.32 ATOM 673 CG LEU 43 -8.273 30.382 1.360 1.00 4.45 ATOM 674 HG LEU 43 -8.644 31.092 2.080 1.00 44.24 ATOM 675 CD1 LEU 43 -8.331 28.997 1.985 1.00 64.24 ATOM 676 HD11 LEU 43 -7.840 29.017 2.947 1.00 3.21 ATOM 677 HD12 LEU 43 -7.831 28.285 1.342 1.00 54.12 ATOM 678 HD13 LEU 43 -9.359 28.694 2.113 1.00 44.05 ATOM 679 CD2 LEU 43 -6.837 30.759 1.026 1.00 4.11 ATOM 680 HD21 LEU 43 -6.246 30.751 1.932 1.00 0.25 ATOM 681 HD22 LEU 43 -6.799 31.746 0.595 1.00 72.20 ATOM 682 HD23 LEU 43 -6.423 30.044 0.331 1.00 2.13 ATOM 683 C LEU 43 -9.624 31.677 -2.015 1.00 41.23 ATOM 684 O LEU 43 -10.770 31.800 -2.448 1.00 61.24 ATOM 685 N PRO 44 -8.583 31.406 -2.816 1.00 25.52 ATOM 686 CA PRO 44 -8.722 31.232 -4.265 1.00 1.32 ATOM 687 HA PRO 44 -9.224 32.074 -4.719 1.00 20.23 ATOM 688 CB PRO 44 -7.273 31.172 -4.756 1.00 13.12 ATOM 689 HB1 PRO 44 -6.955 32.161 -5.050 1.00 37.83 ATOM 690 HB2 PRO 44 -7.178 30.498 -5.599 1.00 42.44 ATOM 691 CG PRO 44 -6.495 30.690 -3.581 1.00 3.34 ATOM 692 HG1 PRO 44 -5.477 31.046 -3.634 1.00 37.83 ATOM 693 HG2 PRO 44 -6.523 29.632 -3.576 1.00 43.31 ATOM 694 CD PRO 44 -7.189 31.246 -2.368 1.00 21.11 ATOM 695 HD1 PRO 44 -6.760 32.197 -2.088 1.00 37.83 ATOM 696 HD2 PRO 44 -7.111 30.551 -1.572 1.00 24.32 ATOM 697 C PRO 44 -9.461 29.948 -4.627 1.00 2.43 ATOM 698 O PRO 44 -9.744 29.119 -3.763 1.00 32.35 ATOM 699 N VAL 45 -9.770 29.791 -5.910 1.00 31.42 ATOM 700 HN VAL 45 -9.518 30.494 -6.555 1.00 37.83 ATOM 701 CA VAL 45 -10.475 28.607 -6.386 1.00 62.43 ATOM 702 HA VAL 45 -11.342 28.453 -5.751 1.00 12.03 ATOM 703 CB VAL 45 -10.962 28.789 -7.836 1.00 34.01 ATOM 704 HB VAL 45 -11.505 29.721 -7.898 1.00 74.32 ATOM 705 CG1 VAL 45 -9.781 28.863 -8.791 1.00 52.14 ATOM 706 HG11 VAL 45 -9.297 27.899 -8.870 1.00 43.04 ATOM 707 HG12 VAL 45 -9.066 29.595 -8.442 1.00 51.34 ATOM 708 HG13 VAL 45 -10.137 29.158 -9.767 1.00 72.41 ATOM 709 CG2 VAL 45 -11.905 27.661 -8.227 1.00 22.43 ATOM 710 HG21 VAL 45 -12.714 27.597 -7.512 1.00 14.11 ATOM 711 HG22 VAL 45 -11.372 26.722 -8.252 1.00 72.44 ATOM 712 HG23 VAL 45 -12.315 27.863 -9.206 1.00 2.02 ATOM 713 C VAL 45 -9.585 27.371 -6.313 1.00 32.33 ATOM 714 O VAL 45 -10.075 26.245 -6.217 1.00 11.31 ATOM 715 N ASP 46 -8.275 27.588 -6.358 1.00 15.15 ATOM 716 HN ASP 46 -7.934 28.507 -6.441 1.00 37.83 ATOM 717 CA ASP 46 -7.316 26.492 -6.294 1.00 61.23 ATOM 718 HA ASP 46 -7.700 25.670 -6.891 1.00 72.24 ATOM 719 CB ASP 46 -5.963 26.937 -6.853 1.00 33.32 ATOM 720 HB1 ASP 46 -5.162 26.583 -6.215 1.00 37.83 ATOM 721 HB2 ASP 46 -5.918 28.016 -6.896 1.00 4.02 ATOM 722 CG ASP 46 -5.708 26.400 -8.248 1.00 12.34 ATOM 723 OD1 ASP 46 -5.919 27.154 -9.220 1.00 52.04 ATOM 724 OD2 ASP 46 -5.298 25.226 -8.367 1.00 14.45 ATOM 725 C ASP 46 -7.150 25.997 -4.861 1.00 32.31 ATOM 726 O ASP 46 -7.451 24.843 -4.553 1.00 43.05 ATOM 727 N ASP 47 -6.670 26.876 -3.989 1.00 24.23 ATOM 728 HN ASP 47 -6.445 27.779 -4.300 1.00 37.83 ATOM 729 CA ASP 47 -6.464 26.528 -2.587 1.00 43.44 ATOM 730 HA ASP 47 -5.685 25.779 -2.540 1.00 33.14 ATOM 731 CB ASP 47 -6.021 27.759 -1.794 1.00 53.14 ATOM 732 HB1 ASP 47 -5.901 27.487 -0.753 1.00 37.83 ATOM 733 HB2 ASP 47 -6.775 28.520 -1.871 1.00 42.03 ATOM 734 CG ASP 47 -4.702 28.321 -2.286 1.00 41.10 ATOM 735 OD1 ASP 47 -4.332 29.433 -1.854 1.00 12.14 ATOM 736 OD2 ASP 47 -4.038 27.649 -3.102 1.00 75.45 ATOM 737 C ASP 47 -7.736 25.946 -1.979 1.00 41.33 ATOM 738 O ASP 47 -7.681 25.042 -1.146 1.00 24.22 ATOM 739 N PHE 48 -8.881 26.472 -2.401 1.00 33.11 ATOM 740 HN PHE 48 -8.868 27.208 -3.057 1.00 37.83 ATOM 741 CA PHE 48 -10.168 26.006 -1.896 1.00 42.14 ATOM 742 HA PHE 48 -10.174 26.130 -0.821 1.00 11.15 ATOM 743 CB PHE 48 -11.305 26.837 -2.494 1.00 11.55 ATOM 744 HB1 PHE 48 -11.182 26.876 -3.569 1.00 37.83 ATOM 745 HB2 PHE 48 -11.248 27.841 -2.097 1.00 74.22 ATOM 746 CG PHE 48 -12.671 26.297 -2.180 1.00 51.13 ATOM 747 CD1 PHE 48 -13.531 25.918 -3.199 1.00 23.34 ATOM 748 HD1 PHE 48 -13.214 26.012 -4.229 1.00 3.22 ATOM 749 CD2 PHE 48 -13.095 26.168 -0.868 1.00 13.14 ATOM 750 HD2 PHE 48 -12.436 26.460 -0.062 1.00 43.12 ATOM 751 CE1 PHE 48 -14.788 25.421 -2.913 1.00 34.00 ATOM 752 HE1 PHE 48 -15.449 25.130 -3.716 1.00 2.24 ATOM 753 CE2 PHE 48 -14.352 25.672 -0.576 1.00 22.41 ATOM 754 HE2 PHE 48 -14.658 25.585 0.445 1.00 74.32 ATOM 755 CZ PHE 48 -15.199 25.297 -1.600 1.00 70.41 ATOM 756 HZ PHE 48 -16.181 24.909 -1.375 1.00 52.15 ATOM 757 C PHE 48 -10.377 24.530 -2.221 1.00 71.11 ATOM 758 O PHE 48 -10.668 23.725 -1.338 1.00 33.41 ATOM 759 N ASN 49 -10.227 24.183 -3.495 1.00 41.44 ATOM 760 HN ASN 49 -9.996 24.877 -4.159 1.00 37.83 ATOM 761 CA ASN 49 -10.400 22.805 -3.938 1.00 74.31 ATOM 762 HA ASN 49 -11.438 22.536 -3.792 1.00 73.13 ATOM 763 CB ASN 49 -10.045 22.675 -5.421 1.00 32.44 ATOM 764 HB1 ASN 49 -9.887 21.631 -5.669 1.00 37.83 ATOM 765 HB2 ASN 49 -9.133 23.223 -5.615 1.00 1.24 ATOM 766 CG ASN 49 -11.139 23.207 -6.326 1.00 72.31 ATOM 767 OD1 ASN 49 -12.327 23.033 -6.051 1.00 43.35 ATOM 768 ND2 ASN 49 -10.743 23.859 -7.413 1.00 25.41 ATOM 769 HD21 ASN 49 -9.780 23.968 -7.583 1.00 2.43 ATOM 770 HD22 ASN 49 -11.436 24.211 -8.010 1.00 61.34 ATOM 771 C ASN 49 -9.538 21.855 -3.112 1.00 0.42 ATOM 772 O ASN 49 -9.913 20.707 -2.876 1.00 11.51 ATOM 773 N GLU 50 -8.381 22.344 -2.675 1.00 34.00 ATOM 774 HN GLU 50 -8.112 23.261 -2.912 1.00 37.83 ATOM 775 CA GLU 50 -7.466 21.538 -1.875 1.00 40.53 ATOM 776 HA GLU 50 -7.531 20.507 -2.206 1.00 32.22 ATOM 777 CB GLU 50 -6.027 22.023 -2.064 1.00 0.31 ATOM 778 HB1 GLU 50 -5.383 21.552 -1.329 1.00 37.83 ATOM 779 HB2 GLU 50 -6.007 23.092 -1.901 1.00 63.51 ATOM 780 CG GLU 50 -5.472 21.755 -3.453 1.00 4.44 ATOM 781 HG1 GLU 50 -4.721 22.501 -3.670 1.00 37.83 ATOM 782 HG2 GLU 50 -6.267 21.830 -4.184 1.00 4.22 ATOM 783 CD GLU 50 -4.832 20.386 -3.571 1.00 30.41 ATOM 784 OE1 GLU 50 -4.162 20.131 -4.594 1.00 32.32 ATOM 785 OE2 GLU 50 -5.001 19.569 -2.642 1.00 32.13 ATOM 786 C GLU 50 -7.843 21.592 -0.398 1.00 1.45 ATOM 787 O GLU 50 -7.550 20.670 0.364 1.00 63.52 ATOM 788 N LEU 51 -8.494 22.680 0.001 1.00 23.55 ATOM 789 HN LEU 51 -8.661 23.404 -0.632 1.00 37.83 ATOM 790 CA LEU 51 -8.911 22.856 1.388 1.00 31.42 ATOM 791 HA LEU 51 -8.046 22.732 2.019 1.00 33.32 ATOM 792 CB LEU 51 -9.464 24.266 1.600 1.00 75.13 ATOM 793 HB1 LEU 51 -10.283 24.400 0.908 1.00 37.83 ATOM 794 HB2 LEU 51 -8.688 24.974 1.337 1.00 22.20 ATOM 795 CG LEU 51 -9.969 24.585 3.008 1.00 61.24 ATOM 796 HG LEU 51 -10.502 23.744 3.415 1.00 62.22 ATOM 797 CD1 LEU 51 -8.803 24.882 3.938 1.00 71.12 ATOM 798 HD11 LEU 51 -8.140 24.029 3.972 1.00 55.54 ATOM 799 HD12 LEU 51 -9.175 25.082 4.934 1.00 20.54 ATOM 800 HD13 LEU 51 -8.259 25.745 3.578 1.00 51.55 ATOM 801 CD2 LEU 51 -10.939 25.757 2.974 1.00 62.12 ATOM 802 HD21 LEU 51 -11.775 25.517 2.331 1.00 70.22 ATOM 803 HD22 LEU 51 -10.437 26.637 2.596 1.00 4.23 ATOM 804 HD23 LEU 51 -11.305 25.954 3.973 1.00 13.52 ATOM 805 C LEU 51 -9.963 21.821 1.776 1.00 64.10 ATOM 806 O LEU 51 -10.107 21.477 2.950 1.00 71.42 ATOM 807 N LEU 52 -10.693 21.327 0.783 1.00 72.23 ATOM 808 HN LEU 52 -10.557 21.651 -0.136 1.00 37.83 ATOM 809 CA LEU 52 -11.731 20.329 1.019 1.00 64.30 ATOM 810 HA LEU 52 -12.349 20.679 1.828 1.00 34.43 ATOM 811 CB LEU 52 -12.600 20.162 -0.229 1.00 4.41 ATOM 812 HB1 LEU 52 -13.248 19.316 -0.083 1.00 37.83 ATOM 813 HB2 LEU 52 -11.937 19.938 -1.056 1.00 15.30 ATOM 814 CG LEU 52 -13.461 21.366 -0.612 1.00 41.33 ATOM 815 HG LEU 52 -12.851 22.259 -0.595 1.00 71.54 ATOM 816 CD1 LEU 52 -14.009 21.203 -2.022 1.00 1.45 ATOM 817 HD11 LEU 52 -13.189 21.102 -2.720 1.00 22.53 ATOM 818 HD12 LEU 52 -14.595 22.073 -2.286 1.00 64.21 ATOM 819 HD13 LEU 52 -14.633 20.321 -2.072 1.00 64.22 ATOM 820 CD2 LEU 52 -14.595 21.550 0.385 1.00 34.22 ATOM 821 HD21 LEU 52 -15.154 20.629 0.479 1.00 62.53 ATOM 822 HD22 LEU 52 -15.252 22.326 0.034 1.00 34.14 ATOM 823 HD23 LEU 52 -14.187 21.823 1.345 1.00 55.52 ATOM 824 C LEU 52 -11.117 18.987 1.408 1.00 53.41 ATOM 825 O LEU 52 -11.615 18.301 2.300 1.00 52.40 ATOM 826 N ALA 53 -10.032 18.621 0.734 1.00 72.03 ATOM 827 HN ALA 53 -9.673 19.209 0.028 1.00 37.83 ATOM 828 CA ALA 53 -9.348 17.364 1.012 1.00 53.24 ATOM 829 HA ALA 53 -10.082 16.627 1.319 1.00 14.13 ATOM 830 CB ALA 53 -8.672 16.842 -0.247 1.00 62.12 ATOM 831 HB1 ALA 53 -7.912 17.541 -0.569 1.00 53.20 ATOM 832 HB2 ALA 53 -9.409 16.731 -1.028 1.00 30.02 ATOM 833 HB3 ALA 53 -8.217 15.882 -0.045 1.00 71.34 ATOM 834 C ALA 53 -8.328 17.531 2.133 1.00 60.44 ATOM 835 O ALA 53 -7.982 16.568 2.818 1.00 62.05 ATOM 836 N ARG 54 -7.850 18.757 2.314 1.00 44.23 ATOM 837 HN ARG 54 -8.147 19.489 1.727 1.00 37.83 ATOM 838 CA ARG 54 -6.867 19.049 3.351 1.00 71.34 ATOM 839 HA ARG 54 -6.017 18.393 3.203 1.00 14.13 ATOM 840 CB ARG 54 -6.408 20.505 3.253 1.00 63.40 ATOM 841 HB1 ARG 54 -6.168 20.875 4.245 1.00 37.83 ATOM 842 HB2 ARG 54 -7.208 21.100 2.851 1.00 11.25 ATOM 843 CG ARG 54 -5.180 20.698 2.378 1.00 10.51 ATOM 844 HG1 ARG 54 -5.417 20.426 1.364 1.00 37.83 ATOM 845 HG2 ARG 54 -4.387 20.062 2.744 1.00 10.40 ATOM 846 CD ARG 54 -4.697 22.140 2.407 1.00 55.32 ATOM 847 HD1 ARG 54 -4.336 22.344 3.405 1.00 37.83 ATOM 848 HD2 ARG 54 -5.526 22.798 2.179 1.00 33.03 ATOM 849 NE ARG 54 -3.629 22.379 1.441 1.00 44.12 ATOM 850 HE ARG 54 -3.537 21.747 0.690 1.00 31.43 ATOM 851 CZ ARG 54 -2.784 23.402 1.517 1.00 72.31 ATOM 852 NH1 ARG 54 -2.884 24.275 2.509 1.00 4.42 ATOM 853 HH11 ARG 54 -3.586 24.193 3.211 1.00 54.35 ATOM 854 HH12 ARG 54 -2.239 25.040 2.559 1.00 63.11 ATOM 855 NH2 ARG 54 -1.837 23.552 0.599 1.00 35.34 ATOM 856 HH21 ARG 54 -1.756 22.895 -0.153 1.00 73.10 ATOM 857 HH22 ARG 54 -1.199 24.323 0.654 1.00 23.54 ATOM 858 C ARG 54 -7.444 18.778 4.737 1.00 25.03 ATOM 859 O ARG 54 -6.745 18.291 5.627 1.00 73.33 ATOM 860 N TYR 55 -8.721 19.098 4.914 1.00 63.51 ATOM 861 HN TYR 55 -9.239 19.487 4.172 1.00 37.83 ATOM 862 CA TYR 55 -9.390 18.892 6.193 1.00 73.33 ATOM 863 HA TYR 55 -8.631 18.748 6.954 1.00 44.41 ATOM 864 CB TYR 55 -10.224 20.121 6.559 1.00 32.51 ATOM 865 HB1 TYR 55 -10.969 19.859 7.300 1.00 37.83 ATOM 866 HB2 TYR 55 -10.737 20.470 5.671 1.00 12.44 ATOM 867 CG TYR 55 -9.404 21.270 7.099 1.00 23.02 ATOM 868 CD1 TYR 55 -9.394 21.565 8.457 1.00 51.12 ATOM 869 HD1 TYR 55 -9.971 20.956 9.133 1.00 23.42 ATOM 870 CD2 TYR 55 -8.637 22.060 6.252 1.00 51.44 ATOM 871 HD2 TYR 55 -8.630 21.846 5.192 1.00 24.21 ATOM 872 CE1 TYR 55 -8.647 22.615 8.954 1.00 24.24 ATOM 873 HE1 TYR 55 -8.653 22.828 10.013 1.00 64.21 ATOM 874 CE2 TYR 55 -7.885 23.111 6.741 1.00 53.34 ATOM 875 HE2 TYR 55 -7.296 23.714 6.066 1.00 23.31 ATOM 876 CZ TYR 55 -7.894 23.385 8.092 1.00 23.35 ATOM 877 OH TYR 55 -7.147 24.430 8.584 1.00 4.44 ATOM 878 HH TYR 55 -6.379 24.090 9.053 1.00 23.12 ATOM 879 C TYR 55 -10.281 17.654 6.148 1.00 23.33 ATOM 880 O TYR 55 -10.703 17.199 5.085 1.00 23.41 ATOM 881 N PRO 56 -10.575 17.095 7.332 1.00 64.02 ATOM 882 CA PRO 56 -11.419 15.903 7.457 1.00 65.14 ATOM 883 HA PRO 56 -11.058 15.095 6.837 1.00 24.33 ATOM 884 CB PRO 56 -11.277 15.521 8.932 1.00 24.30 ATOM 885 HB1 PRO 56 -10.480 14.800 9.033 1.00 37.83 ATOM 886 HB2 PRO 56 -12.193 15.094 9.320 1.00 4.11 ATOM 887 CG PRO 56 -10.926 16.794 9.621 1.00 12.22 ATOM 888 HG1 PRO 56 -10.348 16.584 10.508 1.00 37.83 ATOM 889 HG2 PRO 56 -11.826 17.333 9.877 1.00 22.45 ATOM 890 CD PRO 56 -10.106 17.584 8.639 1.00 10.32 ATOM 891 HD1 PRO 56 -9.055 17.375 8.774 1.00 37.83 ATOM 892 HD2 PRO 56 -10.299 18.631 8.768 1.00 25.22 ATOM 893 C PRO 56 -12.878 16.188 7.118 1.00 22.41 ATOM 894 O PRO 56 -13.714 16.341 8.009 1.00 31.34 ATOM 895 N LEU 57 -13.178 16.257 5.826 1.00 43.21 ATOM 896 HN LEU 57 -12.472 16.119 5.152 1.00 37.83 ATOM 897 CA LEU 57 -14.537 16.523 5.369 1.00 15.13 ATOM 898 HA LEU 57 -15.153 16.761 6.221 1.00 71.14 ATOM 899 CB LEU 57 -14.553 17.727 4.426 1.00 73.04 ATOM 900 HB1 LEU 57 -15.584 17.979 4.215 1.00 37.83 ATOM 901 HB2 LEU 57 -14.069 17.437 3.506 1.00 52.33 ATOM 902 CG LEU 57 -13.837 18.982 4.926 1.00 65.50 ATOM 903 HG LEU 57 -12.780 18.775 5.008 1.00 52.04 ATOM 904 CD1 LEU 57 -14.015 20.127 3.941 1.00 21.24 ATOM 905 HD11 LEU 57 -13.351 20.931 4.192 1.00 35.41 ATOM 906 HD12 LEU 57 -15.032 20.473 3.974 1.00 1.33 ATOM 907 HD13 LEU 57 -13.794 19.781 2.942 1.00 71.41 ATOM 908 CD2 LEU 57 -14.349 19.375 6.304 1.00 55.25 ATOM 909 HD21 LEU 57 -13.863 20.287 6.625 1.00 75.15 ATOM 910 HD22 LEU 57 -14.132 18.596 7.016 1.00 3.14 ATOM 911 HD23 LEU 57 -15.417 19.538 6.263 1.00 61.43 ATOM 912 C LEU 57 -15.124 15.303 4.666 1.00 51.41 ATOM 913 O LEU 57 -14.467 14.676 3.835 1.00 25.30 ATOM 914 N THR 58 -16.367 14.973 5.002 1.00 12.34 ATOM 915 HN THR 58 -16.840 15.494 5.688 1.00 37.83 ATOM 916 CA THR 58 -17.043 13.830 4.403 1.00 73.11 ATOM 917 HA THR 58 -16.299 13.137 4.020 1.00 2.23 ATOM 918 CB THR 58 -17.909 13.084 5.436 1.00 25.20 ATOM 919 HB THR 58 -18.670 12.504 4.925 1.00 3.02 ATOM 920 OG1 THR 58 -18.551 14.022 6.307 1.00 45.25 ATOM 921 HG1 THR 58 -19.347 13.629 6.676 1.00 14.02 ATOM 922 CG2 THR 58 -17.063 12.121 6.255 1.00 21.44 ATOM 923 HG21 THR 58 -16.294 12.670 6.780 1.00 14.21 ATOM 924 HG22 THR 58 -16.604 11.394 5.600 1.00 12.53 ATOM 925 HG23 THR 58 -17.692 11.612 6.970 1.00 23.01 ATOM 926 C THR 58 -17.924 14.262 3.236 1.00 33.23 ATOM 927 O THR 58 -18.118 15.454 3.002 1.00 51.11 ATOM 928 N GLU 59 -18.456 13.285 2.508 1.00 22.54 ATOM 929 HN GLU 59 -18.260 12.346 2.745 1.00 37.83 ATOM 930 CA GLU 59 -19.317 13.566 1.366 1.00 64.44 ATOM 931 HA GLU 59 -18.720 14.062 0.612 1.00 60.14 ATOM 932 CB GLU 59 -19.877 12.264 0.789 1.00 74.02 ATOM 933 HB1 GLU 59 -20.716 12.490 0.140 1.00 37.83 ATOM 934 HB2 GLU 59 -20.224 11.643 1.604 1.00 21.32 ATOM 935 CG GLU 59 -18.865 11.471 -0.020 1.00 22.53 ATOM 936 HG1 GLU 59 -18.016 11.247 0.609 1.00 37.83 ATOM 937 HG2 GLU 59 -18.542 12.072 -0.857 1.00 72.44 ATOM 938 CD GLU 59 -19.432 10.168 -0.548 1.00 74.43 ATOM 939 OE1 GLU 59 -19.604 9.227 0.255 1.00 21.30 ATOM 940 OE2 GLU 59 -19.705 10.088 -1.764 1.00 42.43 ATOM 941 C GLU 59 -20.461 14.494 1.762 1.00 72.22 ATOM 942 O GLU 59 -20.972 15.253 0.939 1.00 53.14 ATOM 943 N SER 60 -20.859 14.426 3.028 1.00 3.24 ATOM 944 HN SER 60 -20.451 13.773 3.640 1.00 37.83 ATOM 945 CA SER 60 -21.946 15.257 3.534 1.00 64.42 ATOM 946 HA SER 60 -22.708 15.333 2.767 1.00 51.03 ATOM 947 CB SER 60 -22.569 14.617 4.776 1.00 1.31 ATOM 948 HB1 SER 60 -23.157 15.350 5.316 1.00 37.83 ATOM 949 HB2 SER 60 -21.787 14.244 5.420 1.00 10.32 ATOM 950 OG SER 60 -23.417 13.539 4.423 1.00 34.43 ATOM 951 HG SER 60 -24.269 13.878 4.136 1.00 20.30 ATOM 952 C SER 60 -21.448 16.660 3.866 1.00 43.13 ATOM 953 O SER 60 -22.165 17.643 3.683 1.00 11.22 ATOM 954 N GLN 61 -20.214 16.744 4.354 1.00 35.51 ATOM 955 HN GLN 61 -19.689 15.925 4.496 1.00 37.83 ATOM 956 CA GLN 61 -19.620 18.026 4.712 1.00 14.04 ATOM 957 HA GLN 61 -20.353 18.608 5.251 1.00 1.31 ATOM 958 CB GLN 61 -18.403 17.814 5.614 1.00 12.02 ATOM 959 HB1 GLN 61 -17.934 18.774 5.799 1.00 37.83 ATOM 960 HB2 GLN 61 -17.703 17.179 5.104 1.00 2.15 ATOM 961 CG GLN 61 -18.743 17.190 6.958 1.00 60.40 ATOM 962 HG1 GLN 61 -19.136 16.205 6.795 1.00 37.83 ATOM 963 HG2 GLN 61 -19.494 17.795 7.439 1.00 44.21 ATOM 964 CD GLN 61 -17.542 17.095 7.878 1.00 63.52 ATOM 965 OE1 GLN 61 -16.743 16.163 7.780 1.00 64.22 ATOM 966 NE2 GLN 61 -17.408 18.061 8.779 1.00 64.23 ATOM 967 HE21 GLN 61 -18.077 18.782 8.813 1.00 23.34 ATOM 968 HE22 GLN 61 -16.637 18.017 9.383 1.00 21.24 ATOM 969 C GLN 61 -19.215 18.805 3.466 1.00 42.33 ATOM 970 O GLN 61 -19.595 19.964 3.294 1.00 10.31 ATOM 971 N LEU 62 -18.441 18.163 2.598 1.00 22.43 ATOM 972 HN LEU 62 -18.172 17.236 2.791 1.00 37.83 ATOM 973 CA LEU 62 -17.983 18.796 1.366 1.00 23.33 ATOM 974 HA LEU 62 -17.308 19.597 1.635 1.00 22.04 ATOM 975 CB LEU 62 -17.240 17.782 0.494 1.00 20.24 ATOM 976 HB1 LEU 62 -17.276 18.138 -0.532 1.00 37.83 ATOM 977 HB2 LEU 62 -17.782 16.844 0.531 1.00 11.54 ATOM 978 CG LEU 62 -15.775 17.531 0.856 1.00 55.22 ATOM 979 HG LEU 62 -15.384 18.379 1.403 1.00 54.13 ATOM 980 CD1 LEU 62 -15.648 16.307 1.748 1.00 20.53 ATOM 981 HD11 LEU 62 -16.096 15.450 1.264 1.00 2.25 ATOM 982 HD12 LEU 62 -16.152 16.503 2.668 1.00 65.02 ATOM 983 HD13 LEU 62 -14.605 16.106 1.940 1.00 33.14 ATOM 984 CD2 LEU 62 -14.936 17.366 -0.403 1.00 34.21 ATOM 985 HD21 LEU 62 -15.295 16.519 -0.973 1.00 10.15 ATOM 986 HD22 LEU 62 -13.902 17.203 -0.132 1.00 52.52 ATOM 987 HD23 LEU 62 -15.008 18.260 -1.006 1.00 62.41 ATOM 988 C LEU 62 -19.154 19.389 0.591 1.00 75.24 ATOM 989 O LEU 62 -19.028 20.440 -0.036 1.00 51.22 ATOM 990 N ALA 63 -20.295 18.708 0.639 1.00 1.25 ATOM 991 HN ALA 63 -20.335 17.857 1.135 1.00 37.83 ATOM 992 CA ALA 63 -21.490 19.170 -0.055 1.00 34.21 ATOM 993 HA ALA 63 -21.267 19.223 -1.113 1.00 71.52 ATOM 994 CB ALA 63 -22.628 18.177 0.135 1.00 3.23 ATOM 995 HB1 ALA 63 -23.491 18.500 -0.430 1.00 21.01 ATOM 996 HB2 ALA 63 -22.886 18.115 1.183 1.00 64.23 ATOM 997 HB3 ALA 63 -22.315 17.204 -0.214 1.00 3.34 ATOM 998 C ALA 63 -21.907 20.554 0.431 1.00 52.05 ATOM 999 O ALA 63 -22.402 21.373 -0.346 1.00 23.32 ATOM 1000 N LEU 64 -21.705 20.810 1.718 1.00 34.44 ATOM 1001 HN LEU 64 -21.316 20.118 2.298 1.00 37.83 ATOM 1002 CA LEU 64 -22.061 22.096 2.308 1.00 30.30 ATOM 1003 HA LEU 64 -23.001 22.423 1.880 1.00 64.31 ATOM 1004 CB LEU 64 -22.239 21.954 3.821 1.00 61.23 ATOM 1005 HB1 LEU 64 -21.325 21.522 4.206 1.00 37.83 ATOM 1006 HB2 LEU 64 -23.037 21.240 3.994 1.00 74.42 ATOM 1007 CG LEU 64 -22.543 23.243 4.585 1.00 73.14 ATOM 1008 HG LEU 64 -22.198 24.103 4.031 1.00 71.13 ATOM 1009 CD1 LEU 64 -24.043 23.408 4.777 1.00 62.01 ATOM 1010 HD11 LEU 64 -24.365 22.956 5.707 1.00 72.54 ATOM 1011 HD12 LEU 64 -24.576 22.941 3.957 1.00 64.33 ATOM 1012 HD13 LEU 64 -24.282 24.454 4.785 1.00 14.31 ATOM 1013 CD2 LEU 64 -21.828 23.249 5.928 1.00 63.44 ATOM 1014 HD21 LEU 64 -22.419 22.756 6.661 1.00 54.41 ATOM 1015 HD22 LEU 64 -21.682 24.270 6.241 1.00 12.34 ATOM 1016 HD23 LEU 64 -20.862 22.765 5.853 1.00 11.35 ATOM 1017 C LEU 64 -20.997 23.146 2.006 1.00 51.10 ATOM 1018 O LEU 64 -21.311 24.261 1.588 1.00 30.23 ATOM 1019 N VAL 65 -19.736 22.782 2.218 1.00 13.11 ATOM 1020 HN VAL 65 -19.553 21.871 2.539 1.00 37.83 ATOM 1021 CA VAL 65 -18.625 23.692 1.965 1.00 31.55 ATOM 1022 HA VAL 65 -18.682 24.495 2.685 1.00 40.34 ATOM 1023 CB VAL 65 -17.269 22.981 2.133 1.00 61.25 ATOM 1024 HB VAL 65 -17.211 22.175 1.414 1.00 42.23 ATOM 1025 CG1 VAL 65 -16.124 23.944 1.859 1.00 22.11 ATOM 1026 HG11 VAL 65 -16.078 24.141 0.805 1.00 33.45 ATOM 1027 HG12 VAL 65 -15.188 23.512 2.182 1.00 10.14 ATOM 1028 HG13 VAL 65 -16.283 24.865 2.388 1.00 22.51 ATOM 1029 CG2 VAL 65 -17.151 22.380 3.525 1.00 4.43 ATOM 1030 HG21 VAL 65 -17.836 21.560 3.628 1.00 71.42 ATOM 1031 HG22 VAL 65 -17.376 23.131 4.270 1.00 52.44 ATOM 1032 HG23 VAL 65 -16.150 22.024 3.679 1.00 63.22 ATOM 1033 C VAL 65 -18.707 24.283 0.563 1.00 51.03 ATOM 1034 O VAL 65 -18.321 25.430 0.338 1.00 2.22 ATOM 1035 N ARG 66 -19.213 23.493 -0.378 1.00 72.51 ATOM 1036 HN ARG 66 -19.481 22.572 -0.153 1.00 37.83 ATOM 1037 CA ARG 66 -19.345 23.938 -1.760 1.00 75.31 ATOM 1038 HA ARG 66 -18.406 24.387 -2.066 1.00 62.14 ATOM 1039 CB ARG 66 -19.651 22.749 -2.674 1.00 44.40 ATOM 1040 HB1 ARG 66 -20.037 23.114 -3.620 1.00 37.83 ATOM 1041 HB2 ARG 66 -20.406 22.134 -2.204 1.00 22.11 ATOM 1042 CG ARG 66 -18.438 21.881 -2.969 1.00 54.35 ATOM 1043 HG1 ARG 66 -18.044 21.499 -2.040 1.00 37.83 ATOM 1044 HG2 ARG 66 -17.688 22.483 -3.460 1.00 33.31 ATOM 1045 CD ARG 66 -18.798 20.712 -3.872 1.00 64.35 ATOM 1046 HD1 ARG 66 -19.295 21.092 -4.757 1.00 37.83 ATOM 1047 HD2 ARG 66 -19.468 20.055 -3.338 1.00 33.11 ATOM 1048 NE ARG 66 -17.618 19.954 -4.282 1.00 32.23 ATOM 1049 HE ARG 66 -16.746 20.215 -3.902 1.00 41.22 ATOM 1050 CZ ARG 66 -17.658 18.936 -5.134 1.00 51.04 ATOM 1051 NH1 ARG 66 -18.812 18.557 -5.666 1.00 31.35 ATOM 1052 HH11 ARG 66 -19.666 19.023 -5.440 1.00 63.05 ATOM 1053 HH12 ARG 66 -18.833 17.788 -6.309 1.00 72.33 ATOM 1054 NH2 ARG 66 -16.542 18.296 -5.458 1.00 23.32 ATOM 1055 HH21 ARG 66 -15.666 18.578 -5.061 1.00 21.05 ATOM 1056 HH22 ARG 66 -16.570 17.527 -6.101 1.00 62.03 ATOM 1057 C ARG 66 -20.444 24.988 -1.890 1.00 54.31 ATOM 1058 O ARG 66 -20.296 25.969 -2.620 1.00 34.22 ATOM 1059 N ASP 67 -21.546 24.776 -1.178 1.00 63.13 ATOM 1060 HN ASP 67 -21.615 23.967 -0.617 1.00 37.83 ATOM 1061 CA ASP 67 -22.670 25.705 -1.213 1.00 63.53 ATOM 1062 HA ASP 67 -22.933 25.869 -2.252 1.00 61.54 ATOM 1063 CB ASP 67 -23.873 25.110 -0.480 1.00 71.22 ATOM 1064 HB1 ASP 67 -23.732 25.194 0.591 1.00 37.83 ATOM 1065 HB2 ASP 67 -23.961 24.064 -0.740 1.00 12.43 ATOM 1066 CG ASP 67 -25.174 25.793 -0.853 1.00 41.25 ATOM 1067 OD1 ASP 67 -25.621 25.626 -2.007 1.00 54.42 ATOM 1068 OD2 ASP 67 -25.744 26.495 0.008 1.00 51.52 ATOM 1069 C ASP 67 -22.288 27.043 -0.589 1.00 14.03 ATOM 1070 O ASP 67 -22.597 28.103 -1.133 1.00 42.44 ATOM 1071 N ILE 68 -21.618 26.986 0.557 1.00 64.21 ATOM 1072 HN ILE 68 -21.385 26.106 0.929 1.00 37.83 ATOM 1073 CA ILE 68 -21.195 28.193 1.255 1.00 3.40 ATOM 1074 HA ILE 68 -22.083 28.701 1.610 1.00 13.01 ATOM 1075 CB ILE 68 -20.305 27.861 2.467 1.00 24.50 ATOM 1076 HB ILE 68 -19.422 27.349 2.107 1.00 22.13 ATOM 1077 CG1 ILE 68 -21.053 26.949 3.442 1.00 0.30 ATOM 1078 HG11 ILE 68 -21.547 26.156 2.916 1.00 37.83 ATOM 1079 HG12 ILE 68 -21.800 27.525 3.971 1.00 13.21 ATOM 1080 CG2 ILE 68 -19.859 29.138 3.163 1.00 25.42 ATOM 1081 HG21 ILE 68 -19.204 29.703 2.519 1.00 65.24 ATOM 1082 HG22 ILE 68 -19.324 28.886 4.066 1.00 12.32 ATOM 1083 HG23 ILE 68 -20.722 29.739 3.417 1.00 23.20 ATOM 1084 CD1 ILE 68 -20.157 26.308 4.479 1.00 53.41 ATOM 1085 HD11 ILE 68 -19.188 26.088 4.053 1.00 5.34 ATOM 1086 HD12 ILE 68 -20.606 25.396 4.819 1.00 74.13 ATOM 1087 HD13 ILE 68 -20.036 26.981 5.314 1.00 14.42 ATOM 1088 C ILE 68 -20.434 29.130 0.322 1.00 34.02 ATOM 1089 O ILE 68 -20.554 30.351 0.420 1.00 40.41 ATOM 1090 N ARG 69 -19.654 28.549 -0.583 1.00 41.22 ATOM 1091 HN ARG 69 -19.585 27.566 -0.612 1.00 37.83 ATOM 1092 CA ARG 69 -18.874 29.332 -1.535 1.00 34.23 ATOM 1093 HA ARG 69 -18.460 30.181 -1.016 1.00 20.23 ATOM 1094 CB ARG 69 -17.726 28.493 -2.098 1.00 22.22 ATOM 1095 HB1 ARG 69 -18.139 27.671 -2.668 1.00 37.83 ATOM 1096 HB2 ARG 69 -17.162 28.090 -1.283 1.00 32.02 ATOM 1097 CG ARG 69 -16.791 29.273 -3.008 1.00 31.30 ATOM 1098 HG1 ARG 69 -16.569 30.231 -2.557 1.00 37.83 ATOM 1099 HG2 ARG 69 -17.276 29.426 -3.960 1.00 65.45 ATOM 1100 CD ARG 69 -15.486 28.527 -3.237 1.00 22.12 ATOM 1101 HD1 ARG 69 -15.679 27.686 -3.881 1.00 37.83 ATOM 1102 HD2 ARG 69 -15.113 28.168 -2.285 1.00 52.53 ATOM 1103 NE ARG 69 -14.465 29.382 -3.835 1.00 45.15 ATOM 1104 HE ARG 69 -13.791 29.768 -3.233 1.00 20.34 ATOM 1105 CZ ARG 69 -14.406 29.658 -5.134 1.00 4.15 ATOM 1106 NH1 ARG 69 -15.305 29.149 -5.964 1.00 42.23 ATOM 1107 HH11 ARG 69 -16.043 28.563 -5.641 1.00 63.34 ATOM 1108 HH12 ARG 69 -15.238 29.342 -6.944 1.00 61.42 ATOM 1109 NH2 ARG 69 -13.446 30.445 -5.603 1.00 2.12 ATOM 1110 HH21 ARG 69 -12.764 30.833 -4.980 1.00 73.35 ATOM 1111 HH22 ARG 69 -13.397 30.653 -6.582 1.00 12.04 ATOM 1112 C ARG 69 -19.755 29.837 -2.674 1.00 12.35 ATOM 1113 O ARG 69 -19.536 30.926 -3.205 1.00 65.21 ATOM 1114 N ARG 70 -20.752 29.039 -3.043 1.00 3.41 ATOM 1115 HN ARG 70 -20.865 28.167 -2.605 1.00 37.83 ATOM 1116 CA ARG 70 -21.664 29.405 -4.119 1.00 73.14 ATOM 1117 HA ARG 70 -21.078 29.596 -5.009 1.00 1.24 ATOM 1118 CB ARG 70 -22.634 28.257 -4.407 1.00 10.14 ATOM 1119 HB1 ARG 70 -23.073 27.928 -3.480 1.00 37.83 ATOM 1120 HB2 ARG 70 -22.076 27.438 -4.840 1.00 53.21 ATOM 1121 CG ARG 70 -23.758 28.633 -5.358 1.00 12.11 ATOM 1122 HG1 ARG 70 -23.337 29.062 -6.257 1.00 37.83 ATOM 1123 HG2 ARG 70 -24.400 29.358 -4.880 1.00 31.44 ATOM 1124 CD ARG 70 -24.606 27.425 -5.723 1.00 74.02 ATOM 1125 HD1 ARG 70 -25.633 27.747 -5.819 1.00 37.83 ATOM 1126 HD2 ARG 70 -24.540 26.688 -4.931 1.00 71.43 ATOM 1127 NE ARG 70 -24.186 26.822 -6.985 1.00 5.00 ATOM 1128 HE ARG 70 -23.589 27.344 -7.571 1.00 41.30 ATOM 1129 CZ ARG 70 -24.568 25.615 -7.387 1.00 14.14 ATOM 1130 NH1 ARG 70 -25.377 24.886 -6.629 1.00 41.45 ATOM 1131 HH11 ARG 70 -25.717 25.220 -5.754 1.00 61.03 ATOM 1132 HH12 ARG 70 -25.657 23.975 -6.940 1.00 3.42 ATOM 1133 NH2 ARG 70 -24.143 25.135 -8.548 1.00 41.11 ATOM 1134 HH21 ARG 70 -23.533 25.681 -9.126 1.00 24.33 ATOM 1135 HH22 ARG 70 -24.430 24.224 -8.853 1.00 74.24 ATOM 1136 C ARG 70 -22.445 30.668 -3.766 1.00 25.45 ATOM 1137 O ARG 70 -22.458 31.635 -4.527 1.00 70.22 ATOM 1138 N ARG 71 -23.093 30.651 -2.606 1.00 33.42 ATOM 1139 HN ARG 71 -23.023 29.854 -2.029 1.00 37.83 ATOM 1140 CA ARG 71 -23.877 31.793 -2.152 1.00 11.01 ATOM 1141 HA ARG 71 -24.527 32.105 -2.958 1.00 32.25 ATOM 1142 CB ARG 71 -24.732 31.405 -0.944 1.00 23.30 ATOM 1143 HB1 ARG 71 -25.346 32.245 -0.660 1.00 37.83 ATOM 1144 HB2 ARG 71 -24.077 31.158 -0.118 1.00 62.24 ATOM 1145 CG ARG 71 -25.633 30.207 -1.195 1.00 63.42 ATOM 1146 HG1 ARG 71 -26.209 30.011 -0.302 1.00 37.83 ATOM 1147 HG2 ARG 71 -25.024 29.347 -1.426 1.00 32.22 ATOM 1148 CD ARG 71 -26.588 30.461 -2.351 1.00 20.42 ATOM 1149 HD1 ARG 71 -27.231 29.599 -2.455 1.00 37.83 ATOM 1150 HD2 ARG 71 -26.023 30.591 -3.261 1.00 72.20 ATOM 1151 NE ARG 71 -27.419 31.640 -2.125 1.00 2.20 ATOM 1152 HE ARG 71 -27.308 32.135 -1.283 1.00 55.14 ATOM 1153 CZ ARG 71 -28.331 32.073 -2.988 1.00 43.14 ATOM 1154 NH1 ARG 71 -28.528 31.427 -4.129 1.00 71.40 ATOM 1155 HH11 ARG 71 -28.001 30.611 -4.361 1.00 20.21 ATOM 1156 HH12 ARG 71 -29.218 31.760 -4.775 1.00 73.00 ATOM 1157 NH2 ARG 71 -29.048 33.155 -2.711 1.00 62.34 ATOM 1158 HH21 ARG 71 -28.904 33.648 -1.851 1.00 60.45 ATOM 1159 HH22 ARG 71 -29.737 33.484 -3.361 1.00 24.32 ATOM 1160 C ARG 71 -22.970 32.966 -1.791 1.00 20.32 ATOM 1161 O ARG 71 -23.364 34.126 -1.903 1.00 21.24 ATOM 1162 N GLY 72 -21.753 32.654 -1.356 1.00 65.15 ATOM 1163 HN GLY 72 -21.481 31.716 -1.260 1.00 37.83 ATOM 1164 CA GLY 72 -20.809 33.692 -0.985 1.00 0.00 ATOM 1165 HA1 GLY 72 -19.991 33.234 -0.456 1.00 37.83 ATOM 1166 HA2 GLY 72 -21.292 34.404 -0.327 1.00 4.14 ATOM 1167 C GLY 72 -20.255 34.430 -2.188 1.00 33.32 ATOM 1168 O GLY 72 -20.012 35.635 -2.129 1.00 14.31 ATOM 1169 N LYS 73 -20.053 33.705 -3.283 1.00 32.11 ATOM 1170 HN LYS 73 -20.263 32.741 -3.277 1.00 37.83 ATOM 1171 CA LYS 73 -19.524 34.297 -4.506 1.00 31.31 ATOM 1172 HA LYS 73 -18.806 35.064 -4.230 1.00 54.21 ATOM 1173 CB LYS 73 -18.815 33.233 -5.346 1.00 63.54 ATOM 1174 HB1 LYS 73 -19.549 32.660 -5.901 1.00 37.83 ATOM 1175 HB2 LYS 73 -18.287 32.563 -4.678 1.00 75.13 ATOM 1176 CG LYS 73 -17.806 33.805 -6.327 1.00 25.23 ATOM 1177 HG1 LYS 73 -17.084 34.394 -5.786 1.00 37.83 ATOM 1178 HG2 LYS 73 -18.335 34.445 -7.020 1.00 13.33 ATOM 1179 CD LYS 73 -17.114 32.708 -7.119 1.00 52.12 ATOM 1180 HD1 LYS 73 -16.845 33.103 -8.088 1.00 37.83 ATOM 1181 HD2 LYS 73 -17.782 31.866 -7.252 1.00 22.45 ATOM 1182 CE LYS 73 -15.849 32.230 -6.423 1.00 12.11 ATOM 1183 HE1 LYS 73 -15.418 31.443 -7.016 1.00 37.83 ATOM 1184 HE2 LYS 73 -16.100 31.850 -5.444 1.00 20.52 ATOM 1185 NZ LYS 73 -14.846 33.322 -6.285 1.00 63.30 ATOM 1186 HZ1 LYS 73 -15.105 33.954 -5.502 1.00 52.30 ATOM 1187 HZ2 LYS 73 -14.782 33.882 -7.162 1.00 73.42 ATOM 1188 HZ3 LYS 73 -13.910 32.919 -6.086 1.00 54.11 ATOM 1189 C LYS 73 -20.637 34.946 -5.322 1.00 73.42 ATOM 1190 O LYS 73 -20.394 35.872 -6.094 1.00 71.13 ATOM 1191 N ASN 74 -21.859 34.453 -5.145 1.00 11.43 ATOM 1192 HN ASN 74 -21.998 33.693 -4.535 1.00 37.83 ATOM 1193 CA ASN 74 -23.010 34.987 -5.865 1.00 21.44 ATOM 1194 HA ASN 74 -22.883 34.751 -6.913 1.00 22.55 ATOM 1195 CB ASN 74 -24.300 34.337 -5.359 1.00 3.43 ATOM 1196 HB1 ASN 74 -24.462 34.615 -4.326 1.00 37.83 ATOM 1197 HB2 ASN 74 -24.193 33.263 -5.420 1.00 23.13 ATOM 1198 CG ASN 74 -25.509 34.737 -6.181 1.00 54.23 ATOM 1199 OD1 ASN 74 -25.621 34.381 -7.354 1.00 54.04 ATOM 1200 ND2 ASN 74 -26.422 35.481 -5.568 1.00 11.52 ATOM 1201 HD21 ASN 74 -26.283 35.738 -4.629 1.00 33.31 ATOM 1202 HD22 ASN 74 -27.211 35.749 -6.084 1.00 24.41 ATOM 1203 C ASN 74 -23.095 36.502 -5.708 1.00 61.15 ATOM 1204 O ASN 74 -23.481 37.212 -6.637 1.00 13.42 ATOM 1205 N LYS 75 -22.731 36.991 -4.528 1.00 22.21 ATOM 1206 HN LYS 75 -22.443 36.378 -3.812 1.00 37.83 ATOM 1207 CA LYS 75 -22.763 38.422 -4.249 1.00 33.53 ATOM 1208 HA LYS 75 -23.685 38.824 -4.656 1.00 11.43 ATOM 1209 CB LYS 75 -22.734 38.668 -2.739 1.00 2.24 ATOM 1210 HB1 LYS 75 -21.707 38.643 -2.391 1.00 37.83 ATOM 1211 HB2 LYS 75 -23.283 37.874 -2.248 1.00 11.33 ATOM 1212 CG LYS 75 -23.366 39.986 -2.325 1.00 75.41 ATOM 1213 HG1 LYS 75 -24.436 39.852 -2.252 1.00 37.83 ATOM 1214 HG2 LYS 75 -23.146 40.738 -3.075 1.00 12.34 ATOM 1215 CD LYS 75 -22.837 40.461 -0.982 1.00 53.24 ATOM 1216 HD1 LYS 75 -21.754 40.430 -0.993 1.00 37.83 ATOM 1217 HD2 LYS 75 -23.209 39.807 -0.208 1.00 30.51 ATOM 1218 CE LYS 75 -23.283 41.884 -0.680 1.00 23.31 ATOM 1219 HE1 LYS 75 -24.295 41.858 -0.304 1.00 37.83 ATOM 1220 HE2 LYS 75 -23.251 42.474 -1.587 1.00 41.03 ATOM 1221 NZ LYS 75 -22.409 42.534 0.335 1.00 10.43 ATOM 1222 HZ1 LYS 75 -22.739 43.503 0.518 1.00 21.45 ATOM 1223 HZ2 LYS 75 -21.426 42.577 -0.006 1.00 70.11 ATOM 1224 HZ3 LYS 75 -22.432 41.999 1.229 1.00 13.32 ATOM 1225 C LYS 75 -21.589 39.132 -4.914 1.00 1.44 ATOM 1226 O LYS 75 -21.691 40.299 -5.294 1.00 70.20 ATOM 1227 N VAL 76 -20.474 38.422 -5.052 1.00 31.31 ATOM 1228 HN VAL 76 -20.446 37.501 -4.730 1.00 37.83 ATOM 1229 CA VAL 76 -19.281 38.984 -5.673 1.00 51.14 ATOM 1230 HA VAL 76 -19.166 40.007 -5.327 1.00 54.20 ATOM 1231 CB VAL 76 -18.017 38.198 -5.276 1.00 15.34 ATOM 1232 HB VAL 76 -18.060 37.215 -5.729 1.00 14.43 ATOM 1233 CG1 VAL 76 -16.769 38.901 -5.786 1.00 3.11 ATOM 1234 HG11 VAL 76 -16.764 39.930 -5.451 1.00 25.35 ATOM 1235 HG12 VAL 76 -16.746 38.873 -6.864 1.00 2.44 ATOM 1236 HG13 VAL 76 -15.888 38.400 -5.406 1.00 45.53 ATOM 1237 CG2 VAL 76 -17.957 38.016 -3.767 1.00 34.54 ATOM 1238 HG21 VAL 76 -18.792 37.420 -3.434 1.00 52.32 ATOM 1239 HG22 VAL 76 -17.988 38.981 -3.281 1.00 40.44 ATOM 1240 HG23 VAL 76 -17.037 37.513 -3.499 1.00 63.45 ATOM 1241 C VAL 76 -19.404 38.991 -7.193 1.00 15.10 ATOM 1242 O VAL 76 -18.765 39.792 -7.874 1.00 54.30 ATOM 1243 N ALA 77 -20.231 38.093 -7.718 1.00 73.11 ATOM 1244 HN ALA 77 -20.718 37.469 -7.132 1.00 37.83 ATOM 1245 CA ALA 77 -20.441 37.997 -9.157 1.00 41.14 ATOM 1246 HA ALA 77 -19.531 38.229 -9.642 1.00 73.24 ATOM 1247 CB ALA 77 -20.817 36.574 -9.542 1.00 54.03 ATOM 1248 HB1 ALA 77 -20.046 35.897 -9.205 1.00 33.44 ATOM 1249 HB2 ALA 77 -20.913 36.500 -10.616 1.00 72.04 ATOM 1250 HB3 ALA 77 -21.756 36.307 -9.077 1.00 33.34 ATOM 1251 C ALA 77 -21.515 38.975 -9.622 1.00 70.41 ATOM 1252 O ALA 77 -21.549 39.366 -10.788 1.00 44.32 ATOM 1253 N ALA 78 -22.392 39.364 -8.702 1.00 42.14 ATOM 1254 HN ALA 78 -22.336 39.004 -7.788 1.00 37.83 ATOM 1255 CA ALA 78 -23.466 40.297 -9.018 1.00 74.01 ATOM 1256 HA ALA 78 -24.111 39.832 -9.751 1.00 11.22 ATOM 1257 CB ALA 78 -24.297 40.585 -7.776 1.00 71.03 ATOM 1258 HB1 ALA 78 -25.125 41.231 -8.033 1.00 0.04 ATOM 1259 HB2 ALA 78 -23.681 41.067 -7.029 1.00 74.15 ATOM 1260 HB3 ALA 78 -24.679 39.656 -7.379 1.00 65.02 ATOM 1261 C ALA 78 -22.914 41.594 -9.600 1.00 74.21 ATOM 1262 O ALA 78 -23.609 42.302 -10.328 1.00 42.24 ATOM 1263 N GLN 79 -21.663 41.898 -9.273 1.00 65.02 ATOM 1264 HN GLN 79 -21.167 41.325 -8.652 1.00 37.83 ATOM 1265 CA GLN 79 -21.019 43.111 -9.763 1.00 42.12 ATOM 1266 HA GLN 79 -21.776 43.870 -9.923 1.00 43.25 ATOM 1267 CB GLN 79 -20.022 43.638 -8.729 1.00 54.33 ATOM 1268 HB1 GLN 79 -20.562 43.880 -7.825 1.00 37.83 ATOM 1269 HB2 GLN 79 -19.569 44.544 -9.114 1.00 62.14 ATOM 1270 CG GLN 79 -18.930 42.643 -8.375 1.00 24.32 ATOM 1271 HG1 GLN 79 -18.704 42.002 -9.210 1.00 37.83 ATOM 1272 HG2 GLN 79 -19.285 42.045 -7.554 1.00 71.31 ATOM 1273 CD GLN 79 -17.646 43.318 -7.934 1.00 20.35 ATOM 1274 OE1 GLN 79 -16.556 42.957 -8.379 1.00 32.52 ATOM 1275 NE2 GLN 79 -17.768 44.305 -7.053 1.00 60.54 ATOM 1276 HE21 GLN 79 -18.658 44.555 -6.720 1.00 50.35 ATOM 1277 HE22 GLN 79 -16.947 44.755 -6.764 1.00 63.34 ATOM 1278 C GLN 79 -20.307 42.853 -11.087 1.00 52.02 ATOM 1279 O GLN 79 -20.098 43.771 -11.879 1.00 65.43 ATOM 1280 N ASN 80 -19.938 41.598 -11.320 1.00 22.30 ATOM 1281 HN ASN 80 -20.102 40.908 -10.654 1.00 37.83 ATOM 1282 CA ASN 80 -19.248 41.219 -12.548 1.00 55.01 ATOM 1283 HA ASN 80 -19.077 42.101 -13.153 1.00 4.23 ATOM 1284 CB ASN 80 -17.892 40.590 -12.223 1.00 73.31 ATOM 1285 HB1 ASN 80 -17.294 41.313 -11.686 1.00 37.83 ATOM 1286 HB2 ASN 80 -17.388 40.333 -13.146 1.00 44.12 ATOM 1287 CG ASN 80 -18.024 39.334 -11.384 1.00 30.44 ATOM 1288 OD1 ASN 80 -18.682 38.373 -11.783 1.00 14.01 ATOM 1289 ND2 ASN 80 -17.397 39.336 -10.213 1.00 64.23 ATOM 1290 HD21 ASN 80 -16.889 40.133 -9.941 1.00 42.43 ATOM 1291 HD22 ASN 80 -17.451 38.527 -9.664 1.00 5.43 ATOM 1292 C ASN 80 -20.091 40.245 -13.366 1.00 64.05 ATOM 1293 O ASN 80 -19.560 39.350 -14.025 1.00 5.32 ATOM 1294 N TYR 81 -21.406 40.426 -13.321 1.00 22.34 ATOM 1295 HN TYR 81 -21.778 41.175 -12.800 1.00 37.83 ATOM 1296 CA TYR 81 -22.322 39.562 -14.056 1.00 10.21 ATOM 1297 HA TYR 81 -22.106 38.536 -13.783 1.00 34.22 ATOM 1298 CB TYR 81 -23.770 39.882 -13.680 1.00 22.43 ATOM 1299 HB1 TYR 81 -24.058 40.834 -14.110 1.00 37.83 ATOM 1300 HB2 TYR 81 -23.837 39.956 -12.602 1.00 74.01 ATOM 1301 CG TYR 81 -24.758 38.828 -14.126 1.00 70.20 ATOM 1302 CD1 TYR 81 -24.772 37.568 -13.541 1.00 64.43 ATOM 1303 HD1 TYR 81 -24.063 37.342 -12.756 1.00 60.33 ATOM 1304 CD2 TYR 81 -25.679 39.093 -15.132 1.00 51.11 ATOM 1305 HD2 TYR 81 -25.685 40.068 -15.600 1.00 23.44 ATOM 1306 CE1 TYR 81 -25.672 36.602 -13.947 1.00 32.24 ATOM 1307 HE1 TYR 81 -25.667 35.629 -13.479 1.00 64.32 ATOM 1308 CE2 TYR 81 -26.584 38.134 -15.543 1.00 34.32 ATOM 1309 HE2 TYR 81 -27.292 38.360 -16.326 1.00 3.54 ATOM 1310 CZ TYR 81 -26.577 36.890 -14.947 1.00 64.44 ATOM 1311 OH TYR 81 -27.476 35.931 -15.353 1.00 33.40 ATOM 1312 HH TYR 81 -28.157 35.817 -14.683 1.00 70.24 ATOM 1313 C TYR 81 -22.129 39.720 -15.561 1.00 73.41 ATOM 1314 O TYR 81 -21.810 38.759 -16.261 1.00 75.53 ATOM 1315 N ARG 82 -22.325 40.939 -16.052 1.00 2.34 ATOM 1316 HN ARG 82 -22.560 41.674 -15.437 1.00 37.83 ATOM 1317 CA ARG 82 -22.173 41.224 -17.473 1.00 54.24 ATOM 1318 HA ARG 82 -22.830 40.556 -18.018 1.00 53.42 ATOM 1319 CB ARG 82 -22.588 42.666 -17.773 1.00 72.13 ATOM 1320 HB1 ARG 82 -22.430 42.875 -18.823 1.00 37.83 ATOM 1321 HB2 ARG 82 -21.963 43.330 -17.191 1.00 3.24 ATOM 1322 CG ARG 82 -24.036 42.968 -17.423 1.00 1.50 ATOM 1323 HG1 ARG 82 -24.181 44.035 -17.463 1.00 37.83 ATOM 1324 HG2 ARG 82 -24.249 42.617 -16.424 1.00 32.25 ATOM 1325 CD ARG 82 -24.996 42.300 -18.395 1.00 3.10 ATOM 1326 HD1 ARG 82 -26.010 42.560 -18.123 1.00 37.83 ATOM 1327 HD2 ARG 82 -24.876 41.229 -18.318 1.00 53.52 ATOM 1328 NE ARG 82 -24.743 42.701 -19.776 1.00 62.34 ATOM 1329 HE ARG 82 -24.307 42.045 -20.363 1.00 0.44 ATOM 1330 CZ ARG 82 -25.069 43.891 -20.268 1.00 23.01 ATOM 1331 NH1 ARG 82 -25.657 44.793 -19.494 1.00 62.13 ATOM 1332 HH11 ARG 82 -25.874 44.609 -18.542 1.00 51.33 ATOM 1333 HH12 ARG 82 -25.891 45.690 -19.876 1.00 31.15 ATOM 1334 NH2 ARG 82 -24.806 44.181 -21.536 1.00 2.23 ATOM 1335 HH21 ARG 82 -24.361 43.504 -22.126 1.00 33.11 ATOM 1336 HH22 ARG 82 -25.051 45.078 -21.909 1.00 25.03 ATOM 1337 C ARG 82 -20.734 40.994 -17.924 1.00 21.41 ATOM 1338 O ARG 82 -19.813 41.671 -17.467 1.00 43.14 ATOM 1339 N LYS 83 -20.547 40.033 -18.822 1.00 73.51 ATOM 1340 HN LYS 83 -21.319 39.509 -19.143 1.00 37.83 ATOM 1341 CA LYS 83 -19.221 39.712 -19.336 1.00 30.31 ATOM 1342 HA LYS 83 -18.589 40.588 -19.226 1.00 44.30 ATOM 1343 CB LYS 83 -18.613 38.550 -18.547 1.00 32.21 ATOM 1344 HB1 LYS 83 -18.939 37.604 -18.965 1.00 37.83 ATOM 1345 HB2 LYS 83 -18.972 38.609 -17.526 1.00 64.24 ATOM 1346 CG LYS 83 -17.096 38.580 -18.491 1.00 43.41 ATOM 1347 HG1 LYS 83 -16.786 38.093 -17.575 1.00 37.83 ATOM 1348 HG2 LYS 83 -16.751 39.607 -18.482 1.00 41.41 ATOM 1349 CD LYS 83 -16.479 37.864 -19.681 1.00 34.21 ATOM 1350 HD1 LYS 83 -16.243 38.588 -20.439 1.00 37.83 ATOM 1351 HD2 LYS 83 -17.166 37.131 -20.082 1.00 35.51 ATOM 1352 CE LYS 83 -15.191 37.152 -19.297 1.00 33.12 ATOM 1353 HE1 LYS 83 -14.906 36.498 -20.108 1.00 37.83 ATOM 1354 HE2 LYS 83 -15.358 36.561 -18.406 1.00 3.04 ATOM 1355 NZ LYS 83 -14.082 38.112 -19.043 1.00 24.14 ATOM 1356 HZ1 LYS 83 -13.218 37.594 -18.784 1.00 44.20 ATOM 1357 HZ2 LYS 83 -14.331 38.755 -18.263 1.00 43.22 ATOM 1358 HZ3 LYS 83 -13.889 38.677 -19.897 1.00 41.03 ATOM 1359 C LYS 83 -19.283 39.356 -20.818 1.00 0.30 ATOM 1360 O LYS 83 -20.281 38.816 -21.295 1.00 50.11 ATOM 1361 N ARG 84 -18.210 39.662 -21.540 1.00 71.34 ATOM 1362 HN ARG 84 -17.451 40.117 -21.104 1.00 37.83 ATOM 1363 CA ARG 84 -18.143 39.374 -22.968 1.00 71.11 ATOM 1364 HA ARG 84 -18.976 39.865 -23.450 1.00 21.41 ATOM 1365 CB ARG 84 -16.843 39.920 -23.560 1.00 5.53 ATOM 1366 HB1 ARG 84 -16.792 39.658 -24.603 1.00 37.83 ATOM 1367 HB2 ARG 84 -16.009 39.465 -23.045 1.00 1.12 ATOM 1368 CG ARG 84 -16.704 41.429 -23.437 1.00 13.12 ATOM 1369 HG1 ARG 84 -16.602 41.688 -22.394 1.00 37.83 ATOM 1370 HG2 ARG 84 -17.588 41.901 -23.843 1.00 33.34 ATOM 1371 CD ARG 84 -15.488 41.940 -24.193 1.00 51.51 ATOM 1372 HD1 ARG 84 -14.601 41.474 -23.787 1.00 37.83 ATOM 1373 HD2 ARG 84 -15.423 43.010 -24.057 1.00 72.41 ATOM 1374 NE ARG 84 -15.569 41.648 -25.622 1.00 22.44 ATOM 1375 HE ARG 84 -16.351 41.150 -25.953 1.00 5.41 ATOM 1376 CZ ARG 84 -14.652 42.030 -26.503 1.00 64.21 ATOM 1377 NH1 ARG 84 -13.590 42.716 -26.104 1.00 44.24 ATOM 1378 HH11 ARG 84 -13.458 42.957 -25.143 1.00 11.31 ATOM 1379 HH12 ARG 84 -12.902 43.000 -26.776 1.00 63.21 ATOM 1380 NH2 ARG 84 -14.795 41.725 -27.787 1.00 15.05 ATOM 1381 HH21 ARG 84 -15.595 41.206 -28.095 1.00 24.43 ATOM 1382 HH22 ARG 84 -14.104 42.013 -28.454 1.00 41.21 ATOM 1383 C ARG 84 -18.240 37.873 -23.225 1.00 72.03 ATOM 1384 O ARG 84 -18.451 37.086 -22.302 1.00 60.02 ATOM 1385 N LYS 85 -18.086 37.483 -24.486 1.00 24.21 ATOM 1386 HN LYS 85 -17.961 38.144 -25.199 1.00 37.83 ATOM 1387 CA LYS 85 -18.155 36.077 -24.866 1.00 63.12 ATOM 1388 HA LYS 85 -17.996 36.022 -25.933 1.00 73.25 ATOM 1389 CB LYS 85 -17.076 35.276 -24.134 1.00 62.42 ATOM 1390 HB1 LYS 85 -17.521 34.513 -23.509 1.00 37.83 ATOM 1391 HB2 LYS 85 -16.517 35.942 -23.489 1.00 64.45 ATOM 1392 CG LYS 85 -16.065 34.626 -25.063 1.00 43.54 ATOM 1393 HG1 LYS 85 -15.101 34.650 -24.571 1.00 37.83 ATOM 1394 HG2 LYS 85 -16.003 35.182 -25.991 1.00 12.12 ATOM 1395 CD LYS 85 -16.438 33.187 -25.375 1.00 63.20 ATOM 1396 HD1 LYS 85 -17.095 33.175 -26.232 1.00 37.83 ATOM 1397 HD2 LYS 85 -16.945 32.743 -24.527 1.00 34.10 ATOM 1398 CE LYS 85 -15.208 32.346 -25.681 1.00 4.02 ATOM 1399 HE1 LYS 85 -15.420 31.324 -25.404 1.00 37.83 ATOM 1400 HE2 LYS 85 -14.362 32.698 -25.105 1.00 63.31 ATOM 1401 NZ LYS 85 -14.858 32.380 -27.128 1.00 0.41 ATOM 1402 HZ1 LYS 85 -14.014 31.797 -27.302 1.00 43.25 ATOM 1403 HZ2 LYS 85 -14.656 33.356 -27.429 1.00 51.14 ATOM 1404 HZ3 LYS 85 -15.645 32.008 -27.700 1.00 3.13 ATOM 1405 C LYS 85 -19.531 35.497 -24.557 1.00 72.32 ATOM 1406 O LYS 85 -19.685 34.284 -24.405 1.00 52.13 ATOM 1407 N LEU 86 -20.529 36.369 -24.467 1.00 0.02 ATOM 1408 HN LEU 86 -20.370 37.306 -24.677 1.00 37.83 ATOM 1409 CA LEU 86 -21.894 35.943 -24.178 1.00 21.15 ATOM 1410 HA LEU 86 -21.914 35.556 -23.168 1.00 14.04 ATOM 1411 CB LEU 86 -22.852 37.132 -24.274 1.00 25.21 ATOM 1412 HB1 LEU 86 -23.864 36.741 -24.236 1.00 37.83 ATOM 1413 HB2 LEU 86 -22.715 37.591 -25.246 1.00 0.21 ATOM 1414 CG LEU 86 -22.708 38.199 -23.188 1.00 43.24 ATOM 1415 HG LEU 86 -22.217 37.773 -22.324 1.00 50.43 ATOM 1416 CD1 LEU 86 -21.856 39.356 -23.687 1.00 52.32 ATOM 1417 HD11 LEU 86 -22.307 39.787 -24.570 1.00 40.21 ATOM 1418 HD12 LEU 86 -20.869 39.007 -23.924 1.00 23.10 ATOM 1419 HD13 LEU 86 -21.786 40.113 -22.918 1.00 31.53 ATOM 1420 CD2 LEU 86 -24.076 38.695 -22.743 1.00 61.40 ATOM 1421 HD21 LEU 86 -23.958 39.431 -21.960 1.00 52.40 ATOM 1422 HD22 LEU 86 -24.657 37.865 -22.365 1.00 22.13 ATOM 1423 HD23 LEU 86 -24.593 39.143 -23.581 1.00 30.24 ATOM 1424 C LEU 86 -22.335 34.841 -25.136 1.00 0.14 ATOM 1425 O LEU 86 -21.766 34.680 -26.215 1.00 12.12 ATOM 1426 N GLU 87 -23.353 34.087 -24.734 1.00 33.03 ATOM 1427 HN GLU 87 -23.770 34.268 -23.858 1.00 37.83 ATOM 1428 CA GLU 87 -23.871 33.001 -25.558 1.00 51.41 ATOM 1429 HA GLU 87 -23.039 32.365 -25.839 1.00 64.52 ATOM 1430 CB GLU 87 -24.879 32.165 -24.766 1.00 5.52 ATOM 1431 HB1 GLU 87 -24.415 31.852 -23.841 1.00 37.83 ATOM 1432 HB2 GLU 87 -25.135 31.288 -25.344 1.00 32.13 ATOM 1433 CG GLU 87 -26.160 32.911 -24.433 1.00 2.12 ATOM 1434 HG1 GLU 87 -26.662 33.182 -25.349 1.00 37.83 ATOM 1435 HG2 GLU 87 -25.912 33.806 -23.883 1.00 15.32 ATOM 1436 CD GLU 87 -27.118 32.082 -23.600 1.00 71.44 ATOM 1437 OE1 GLU 87 -27.378 30.920 -23.976 1.00 73.41 ATOM 1438 OE2 GLU 87 -27.608 32.595 -22.573 1.00 4.24 ATOM 1439 C GLU 87 -24.528 33.545 -26.824 1.00 33.05 ATOM 1440 O GLU 87 -25.019 34.674 -26.847 1.00 2.42 ATOM 1441 N THR 88 -24.534 32.733 -27.876 1.00 62.12 ATOM 1442 HN THR 88 -24.137 31.833 -27.795 1.00 37.83 ATOM 1443 CA THR 88 -25.128 33.131 -29.146 1.00 12.52 ATOM 1444 HA THR 88 -24.921 34.188 -29.304 1.00 75.14 ATOM 1445 CB THR 88 -24.529 32.336 -30.321 1.00 4.41 ATOM 1446 HB THR 88 -25.227 32.334 -31.151 1.00 4.24 ATOM 1447 OG1 THR 88 -24.281 30.984 -29.922 1.00 35.43 ATOM 1448 HG1 THR 88 -25.098 30.481 -29.964 1.00 21.10 ATOM 1449 CG2 THR 88 -23.233 32.974 -30.801 1.00 33.35 ATOM 1450 HG21 THR 88 -22.515 32.990 -29.993 1.00 54.12 ATOM 1451 HG22 THR 88 -23.427 33.985 -31.131 1.00 72.14 ATOM 1452 HG23 THR 88 -22.834 32.399 -31.623 1.00 61.25 ATOM 1453 C THR 88 -26.640 32.933 -29.132 1.00 4.35 ATOM 1454 O THR 88 -27.146 31.994 -28.517 1.00 1.11 ATOM 1455 N ILE 89 -27.355 33.822 -29.812 1.00 44.45 ATOM 1456 HN ILE 89 -26.891 34.526 -30.315 1.00 37.83 ATOM 1457 CA ILE 89 -28.808 33.743 -29.879 1.00 15.10 ATOM 1458 HA ILE 89 -29.159 32.966 -29.206 1.00 32.12 ATOM 1459 CB ILE 89 -29.465 35.069 -29.452 1.00 2.22 ATOM 1460 HB ILE 89 -30.532 35.001 -29.624 1.00 31.42 ATOM 1461 CG1 ILE 89 -28.898 36.231 -30.270 1.00 60.04 ATOM 1462 HG11 ILE 89 -29.033 36.038 -31.325 1.00 37.83 ATOM 1463 HG12 ILE 89 -27.845 36.341 -30.063 1.00 62.12 ATOM 1464 CG2 ILE 89 -29.254 35.310 -27.964 1.00 62.44 ATOM 1465 HG21 ILE 89 -29.621 34.461 -27.404 1.00 74.13 ATOM 1466 HG22 ILE 89 -29.793 36.192 -27.655 1.00 62.14 ATOM 1467 HG23 ILE 89 -28.200 35.442 -27.761 1.00 61.14 ATOM 1468 CD1 ILE 89 -29.554 37.560 -29.968 1.00 73.12 ATOM 1469 HD11 ILE 89 -29.295 37.874 -28.968 1.00 53.44 ATOM 1470 HD12 ILE 89 -30.628 37.464 -30.049 1.00 22.33 ATOM 1471 HD13 ILE 89 -29.207 38.298 -30.676 1.00 1.12 ATOM 1472 C ILE 89 -29.276 33.388 -31.286 1.00 62.24 ATOM 1473 O ILE 89 -28.526 33.522 -32.254 1.00 13.44 ATOM 1474 N VAL 90 -30.521 32.935 -31.394 1.00 21.31 ATOM 1475 HN VAL 90 -31.074 32.835 -30.583 1.00 37.83 ATOM 1476 CA VAL 90 -31.090 32.563 -32.683 1.00 74.35 ATOM 1477 HA VAL 90 -30.512 33.038 -33.471 1.00 20.24 ATOM 1478 CB VAL 90 -31.026 31.040 -32.907 1.00 52.11 ATOM 1479 HB VAL 90 -29.988 30.741 -32.916 1.00 12.53 ATOM 1480 CG1 VAL 90 -31.723 30.304 -31.773 1.00 25.22 ATOM 1481 HG11 VAL 90 -31.525 29.247 -31.870 1.00 53.21 ATOM 1482 HG12 VAL 90 -32.789 30.463 -31.819 1.00 0.22 ATOM 1483 HG13 VAL 90 -31.349 30.643 -30.818 1.00 40.22 ATOM 1484 CG2 VAL 90 -31.641 30.673 -34.249 1.00 72.31 ATOM 1485 HG21 VAL 90 -32.708 30.780 -34.196 1.00 33.03 ATOM 1486 HG22 VAL 90 -31.400 29.645 -34.477 1.00 33.32 ATOM 1487 HG23 VAL 90 -31.240 31.308 -35.022 1.00 35.31 ATOM 1488 C VAL 90 -32.540 33.021 -32.797 1.00 41.30 ATOM 1489 O VAL 90 -33.375 32.681 -31.960 1.00 15.30 ATOM 1490 N GLN 91 -32.830 33.795 -33.838 1.00 72.43 ATOM 1491 HN GLN 91 -32.127 34.040 -34.481 1.00 37.83 ATOM 1492 HA GLN 91 -34.134 35.021 -34.865 1.00 40.03 ATOM 1493 CB GLN 91 -35.117 33.157 -34.455 1.00 23.14 ATOM 1494 HB1 GLN 91 -36.142 33.459 -34.272 1.00 37.83 ATOM 1495 HB2 GLN 91 -34.908 32.287 -33.849 1.00 22.45 ATOM 1496 CG GLN 91 -35.020 32.768 -35.921 1.00 5.00 ATOM 1497 HG1 GLN 91 -34.975 33.665 -36.525 1.00 37.83 ATOM 1498 HG2 GLN 91 -35.907 32.210 -36.187 1.00 4.34 ATOM 1499 CD GLN 91 -33.798 31.922 -36.221 1.00 3.23 ATOM 1500 OE1 GLN 91 -32.691 32.441 -36.372 1.00 32.22 ATOM 1501 NE2 GLN 91 -33.992 30.611 -36.308 1.00 42.43 ATOM 1502 HE21 GLN 91 -34.898 30.250 -36.177 1.00 33.15 ATOM 1503 HE22 GLN 91 -33.214 30.048 -36.501 1.00 2.11 ATOM 1504 CA GLN 91 -34.180 34.300 -34.061 1.00 3.00 ATOM 1505 C GLN 91 -34.710 35.002 -32.816 1.00 14.44 ATOM 1506 OT1 GLN 91 -35.439 34.379 -32.002 1.00 37.83 ATOM 1507 OT2 GLN 91 -34.389 36.198 -32.653 1.00 37.83 ATOM 1508 OH2 TIP3 1 -27.780 11.947 6.995 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -27.829 10.992 6.958 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -28.606 12.215 7.397 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -30.498 15.815 8.102 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -30.298 16.239 7.267 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -29.842 16.158 8.709 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -28.235 8.988 6.938 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -29.087 9.226 6.571 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -27.645 8.971 6.185 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -30.785 13.827 1.749 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -30.941 14.505 1.092 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -29.853 13.899 1.952 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -28.069 14.477 1.978 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -28.091 14.662 2.917 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -27.379 15.046 1.637 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -28.506 14.044 4.900 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -28.993 13.309 4.529 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -27.957 13.651 5.578 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.601 8.929 1.824 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -27.767 8.551 1.543 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -28.489 9.872 1.705 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -30.114 11.807 4.131 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -30.762 12.132 4.756 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -30.632 11.367 3.456 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -30.133 13.098 7.708 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -30.915 12.912 7.188 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.205 14.027 7.925 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -28.007 14.430 11.444 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -27.264 15.016 11.304 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -28.702 14.998 11.777 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -34.583 25.840 -39.974 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -34.494 26.784 -40.106 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -35.222 25.565 -40.632 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -35.650 25.095 -36.555 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -35.688 24.449 -35.850 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -35.973 24.629 -37.326 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -37.261 27.528 -36.149 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -36.957 26.842 -36.743 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -36.539 27.646 -35.531 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -34.786 28.441 -40.931 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -35.082 28.119 -41.782 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -35.110 29.341 -40.889 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -39.586 26.617 -34.187 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -40.326 27.215 -34.084 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -38.872 27.171 -34.503 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -41.178 28.581 -33.400 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -41.184 29.460 -33.778 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -42.032 28.498 -32.975 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -32.021 29.556 -40.771 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -32.278 28.866 -41.383 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -31.950 29.113 -39.926 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -28.493 24.462 -34.228 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -29.145 25.157 -34.139 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -28.028 24.672 -35.038 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -32.456 25.294 -41.570 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -33.188 25.522 -40.997 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -32.009 24.580 -41.115 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -32.559 23.468 -32.502 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.479 24.231 -31.930 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -33.160 23.747 -33.193 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -39.444 29.352 -37.006 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -39.539 28.774 -37.763 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -38.715 28.981 -36.510 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -39.564 29.092 -31.337 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -39.876 29.874 -30.881 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -40.214 28.939 -32.023 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -35.859 31.193 -40.450 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -35.385 31.488 -39.672 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -36.422 31.931 -40.683 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -41.325 31.164 -30.573 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -41.317 31.028 -31.521 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -42.241 31.046 -30.321 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -36.801 30.377 -31.841 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -36.714 31.203 -31.366 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -37.665 30.047 -31.592 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -36.387 34.149 -42.035 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -36.462 34.028 -42.981 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -36.354 35.099 -41.916 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -33.616 33.229 -42.283 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -34.551 33.329 -42.104 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -33.336 32.520 -41.705 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -34.968 23.837 -33.935 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -34.644 23.206 -34.578 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -35.408 23.302 -33.274 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -30.550 26.286 -34.379 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -29.908 26.743 -34.922 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -31.380 26.399 -34.841 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -36.180 27.337 -31.928 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -36.526 26.956 -31.122 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -36.380 28.271 -31.857 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -28.235 27.844 -30.774 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -29.087 28.082 -31.141 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -27.645 27.827 -31.527 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -29.903 30.830 -43.146 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -30.276 30.004 -42.836 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -29.626 30.647 -44.043 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -32.743 25.638 -36.124 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -33.671 25.406 -36.151 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -32.292 24.861 -36.454 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -40.200 29.966 -39.991 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -39.673 30.739 -40.192 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -41.080 30.191 -40.293 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -38.773 27.629 -40.415 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -39.014 28.554 -40.373 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -39.513 27.170 -40.019 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -40.089 32.651 -40.870 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -41.039 32.756 -40.818 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.738 33.471 -40.525 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -31.645 27.479 -43.099 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -31.922 26.751 -42.543 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -30.718 27.598 -42.893 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -36.745 31.186 -43.673 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -37.562 31.683 -43.620 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -36.216 31.661 -44.313 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -31.872 23.427 -37.585 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -32.669 23.012 -37.914 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -31.427 22.736 -37.094 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -40.474 32.273 -28.115 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -39.706 31.814 -27.774 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -40.495 32.047 -29.045 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -38.509 27.134 -29.348 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -38.837 27.405 -30.206 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -38.357 26.193 -29.436 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -35.365 25.844 -28.709 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -34.412 25.928 -28.737 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -35.525 25.133 -28.090 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -38.051 24.537 -33.172 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -37.300 24.381 -33.745 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -38.390 25.389 -33.448 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -32.319 25.141 -30.066 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -32.600 25.850 -30.644 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -31.376 25.068 -30.217 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -30.055 28.690 -28.174 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -30.921 28.585 -27.780 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -29.679 29.449 -27.727 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -28.601 27.785 -35.888 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -27.767 27.407 -36.169 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -28.489 28.728 -36.007 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -29.717 25.491 -30.634 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -29.134 24.757 -30.443 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -29.153 26.263 -30.588 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -28.220 23.394 -29.950 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -29.083 23.015 -30.115 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -27.616 22.655 -30.024 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.331 33.423 -40.162 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -30.678 33.076 -40.770 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -30.820 33.912 -39.516 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -40.992 31.327 -33.360 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -41.417 32.136 -33.643 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -40.087 31.412 -33.662 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -41.123 34.183 -34.283 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -41.988 34.255 -33.879 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -41.178 34.730 -35.067 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -42.034 31.916 -37.747 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -42.253 31.000 -37.578 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -41.210 32.056 -37.281 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -39.497 32.386 -36.899 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -39.284 31.498 -37.186 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -39.432 32.352 -35.944 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -29.351 33.203 -42.154 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -29.545 32.455 -42.719 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -29.390 33.961 -42.738 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -31.944 28.034 -19.397 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -32.385 27.314 -18.947 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -31.957 28.755 -18.767 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -34.833 33.139 -19.185 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -34.213 32.462 -19.458 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -35.041 32.921 -18.277 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -31.432 29.874 -17.049 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -32.374 29.932 -16.888 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -31.156 30.780 -17.186 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -33.180 31.655 -20.424 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -32.755 30.948 -20.909 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.863 32.456 -20.841 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -32.021 29.556 -21.915 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -32.278 28.866 -22.527 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -31.950 29.113 -21.070 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -32.456 25.294 -22.714 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -33.188 25.522 -22.141 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -32.009 24.580 -22.259 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -27.780 30.803 -11.861 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -27.829 29.848 -11.898 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -28.606 31.071 -11.459 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -33.285 33.303 -26.176 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -32.910 32.559 -26.647 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -33.281 33.033 -25.258 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -33.616 33.229 -23.427 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -34.551 33.329 -23.248 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -33.336 32.520 -22.849 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -30.628 22.296 -11.381 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -31.035 22.777 -12.101 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -30.587 21.391 -11.688 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -32.108 25.489 -27.399 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -32.066 25.266 -28.329 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -31.259 25.887 -27.209 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -30.498 34.671 -10.754 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -30.298 35.095 -11.589 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -29.842 35.014 -10.147 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -35.574 28.612 -25.284 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -35.869 29.438 -24.902 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -36.277 27.992 -25.088 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -28.235 27.844 -11.918 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -29.087 28.082 -12.285 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -27.645 27.827 -12.671 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -32.511 28.806 -26.469 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -32.158 28.426 -25.665 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -33.460 28.713 -26.383 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -32.055 32.429 -13.074 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -32.657 31.874 -13.569 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -31.774 33.096 -13.700 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -31.645 27.479 -24.243 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -31.922 26.751 -23.687 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -30.718 27.598 -24.037 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -38.420 29.918 -28.022 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -38.181 29.170 -28.570 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -38.689 29.530 -27.190 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -36.745 31.186 -24.817 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -37.562 31.683 -24.764 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -36.216 31.661 -25.457 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.785 32.683 -17.107 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -30.941 33.361 -17.764 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -29.853 32.755 -16.904 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -36.382 31.781 -27.884 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -37.026 31.150 -27.562 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -35.620 31.250 -28.116 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -31.778 31.598 -27.650 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -31.495 30.804 -27.197 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -31.038 31.831 -28.211 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -35.471 28.555 -28.057 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -35.739 28.735 -27.156 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -35.677 27.629 -28.188 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -29.213 26.078 -27.779 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -29.486 25.653 -28.592 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -29.173 27.009 -27.996 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -38.705 34.414 -26.223 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -37.772 34.572 -26.079 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -38.969 35.089 -26.848 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -30.055 28.690 -9.318 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -30.921 28.585 -8.924 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.679 29.449 -8.871 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -28.754 26.947 -23.804 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -27.904 27.368 -23.676 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -28.749 26.207 -23.196 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -28.360 25.000 -21.980 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -29.086 24.521 -21.582 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -27.779 25.206 -21.248 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -28.601 27.785 -17.032 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -27.767 27.407 -17.313 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -28.489 28.728 -17.151 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -30.114 30.663 -14.725 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -30.762 30.988 -14.100 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -30.632 30.223 -15.400 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -28.092 24.901 -25.589 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -28.613 25.258 -26.308 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -28.125 25.576 -24.911 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -29.717 25.491 -11.778 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -29.134 24.757 -11.587 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -29.153 26.263 -11.732 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -28.220 23.394 -11.094 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -29.083 23.015 -11.259 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -27.616 22.655 -11.168 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -31.331 33.423 -21.306 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -30.678 33.076 -21.914 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -30.820 33.912 -20.660 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -34.336 34.011 -12.301 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -33.659 33.379 -12.541 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -34.014 34.413 -11.493 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -34.085 32.949 -15.306 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -34.989 33.114 -15.572 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -33.656 33.802 -15.372 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -31.480 34.519 -15.011 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -31.662 35.435 -15.222 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -31.304 34.109 -15.858 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -36.060 33.640 -25.978 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -35.194 34.006 -26.156 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -36.307 33.200 -26.791 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -30.133 31.954 -11.148 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.915 31.768 -11.668 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -30.205 32.883 -10.931 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -35.650 25.095 1.157 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -35.688 24.449 1.862 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -35.973 24.629 0.386 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -31.944 28.034 -0.541 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -32.385 27.314 -0.091 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -31.957 28.755 0.089 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -34.833 33.139 -0.329 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -34.213 32.462 -0.602 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -35.041 32.921 0.579 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -28.598 19.129 2.424 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -28.549 19.739 3.160 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -28.172 19.590 1.701 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -34.120 21.922 1.891 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -33.977 20.975 1.911 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.226 22.129 0.962 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -28.206 20.607 4.660 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -28.895 21.265 4.565 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -28.191 20.410 5.597 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -34.786 28.441 -3.219 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -35.082 28.119 -4.070 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -35.110 29.341 -3.177 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -33.180 31.655 -1.568 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.755 30.948 -2.053 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -32.863 32.456 -1.985 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -32.021 29.556 -3.059 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -32.278 28.866 -3.671 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -31.950 29.113 -2.214 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -32.456 25.294 -3.858 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -33.188 25.522 -3.285 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -32.009 24.580 -3.403 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -32.559 23.468 5.210 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -32.479 24.231 5.782 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -33.160 23.747 4.519 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -34.135 30.196 2.392 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -34.376 30.858 3.040 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -34.333 29.362 2.817 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -35.859 31.193 -2.738 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -35.385 31.488 -1.960 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -36.422 31.931 -2.971 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -36.801 30.377 5.871 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -36.714 31.203 6.346 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -37.665 30.047 6.120 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.387 34.149 -4.323 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -36.462 34.028 -5.269 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -36.354 35.099 -4.204 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -33.285 33.303 -7.320 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.910 32.559 -7.791 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -33.281 33.033 -6.402 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -33.616 33.229 -4.571 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -34.551 33.329 -4.392 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -33.336 32.520 -3.993 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -30.628 22.296 7.475 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -31.035 22.777 6.755 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -30.587 21.391 7.168 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -32.871 20.628 5.696 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -33.385 20.502 6.493 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -33.026 21.540 5.451 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -32.108 25.489 -8.543 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -32.066 25.266 -9.473 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -31.259 25.887 -8.353 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -36.134 22.928 7.780 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -36.697 22.224 8.100 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -35.308 22.808 8.247 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -34.968 23.837 3.777 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -34.644 23.206 3.134 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -35.408 23.302 4.438 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.180 27.337 5.784 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -36.526 26.956 6.590 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -36.380 28.271 5.855 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -35.574 28.612 -6.428 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -35.869 29.438 -6.046 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -36.277 27.992 -6.232 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -28.199 22.044 -5.899 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -28.753 21.648 -6.571 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -28.098 22.954 -6.176 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -32.743 25.638 1.588 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -33.671 25.406 1.561 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -32.292 24.861 1.258 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -34.714 27.877 3.313 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -35.140 27.650 4.139 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -34.133 27.139 3.130 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -32.511 28.806 -7.613 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -32.158 28.426 -6.809 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -33.460 28.713 -7.527 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -31.645 27.479 -5.387 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -31.922 26.751 -4.831 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -30.718 27.598 -5.181 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -30.474 19.676 6.031 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.390 19.939 5.943 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -30.138 19.673 5.134 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -31.872 23.427 0.127 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -32.669 23.012 -0.202 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -31.427 22.736 0.618 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -33.897 30.653 8.326 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -34.248 29.797 8.569 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -33.171 30.796 8.933 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -31.778 31.598 -8.794 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -31.495 30.804 -8.341 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -31.038 31.831 -9.355 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -38.509 27.134 8.364 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -38.837 27.405 7.506 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -38.357 26.193 8.276 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -35.365 25.844 9.003 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -34.412 25.928 8.975 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -35.525 25.133 9.622 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -29.213 26.078 -8.923 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -29.486 25.653 -9.736 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -29.173 27.009 -9.140 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -38.051 24.537 4.540 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -37.300 24.381 3.967 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -38.390 25.389 4.264 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -33.635 22.352 9.568 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -33.443 21.421 9.457 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -32.778 22.777 9.558 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -28.754 26.947 -4.948 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -27.904 27.368 -4.820 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -28.749 26.207 -4.340 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -29.743 22.141 -8.182 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -29.646 22.808 -8.862 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -29.883 21.325 -8.664 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -30.573 23.521 -2.561 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -30.723 22.576 -2.581 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -30.927 23.802 -1.717 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -30.495 19.549 -9.065 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -29.885 19.177 -8.428 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -31.332 19.127 -8.869 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -30.863 21.104 -4.099 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -30.583 20.197 -3.974 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -30.104 21.538 -4.488 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -30.251 21.685 1.337 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -29.318 21.897 1.303 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -30.486 21.787 2.260 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -30.222 22.422 4.113 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -31.065 22.690 4.479 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -29.779 23.244 3.902 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -27.939 16.402 9.467 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -27.589 15.748 8.861 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -27.792 17.239 9.027 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -28.419 18.511 7.816 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -29.336 18.782 7.780 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -28.296 17.976 7.032 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -28.383 18.434 -7.522 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -27.970 17.713 -7.998 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -27.701 19.104 -7.464 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -36.681 32.726 7.311 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -36.496 32.392 8.189 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -35.834 33.035 6.989 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -34.336 34.011 6.555 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -33.659 33.379 6.315 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -34.014 34.413 7.363 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -29.418 16.601 5.635 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -30.231 16.926 5.247 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -29.185 15.841 5.102 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -36.412 34.071 2.605 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -36.869 34.600 1.951 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -36.249 34.674 3.330 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -29.119 17.296 -1.596 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -28.507 16.782 -2.123 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -28.736 18.174 -1.573 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -34.583 25.840 16.594 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -34.494 26.784 16.462 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -35.222 25.565 15.936 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -35.650 25.095 20.013 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -35.688 24.449 20.718 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -35.973 24.629 19.242 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -34.833 33.139 18.527 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -34.213 32.462 18.254 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -35.041 32.921 19.435 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -33.243 20.154 16.420 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -32.597 19.825 17.045 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -32.733 20.672 15.797 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.786 28.441 15.637 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -35.082 28.119 14.786 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -35.110 29.341 15.679 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -31.432 29.874 20.663 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -32.374 29.932 20.824 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -31.156 30.780 20.526 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -33.180 31.655 17.288 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -32.755 30.948 16.803 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -32.863 32.456 16.871 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -35.862 25.084 14.046 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -36.574 25.619 13.695 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -35.171 25.140 13.386 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -35.808 23.542 11.085 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -35.107 23.564 11.736 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -35.506 22.914 10.429 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -34.135 30.196 21.248 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -34.376 30.858 21.896 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -34.333 29.362 21.673 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -33.585 24.456 12.683 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -33.006 24.606 13.430 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -33.171 24.927 11.960 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -35.859 31.193 16.118 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -35.385 31.488 16.896 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -36.422 31.931 15.885 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -29.887 16.206 12.496 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.786 16.345 12.791 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -29.635 17.037 12.094 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -36.387 34.149 14.533 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -36.462 34.028 13.587 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -36.354 35.099 14.652 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -33.285 33.303 11.536 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -32.910 32.559 11.065 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -33.281 33.033 12.454 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -33.616 33.229 14.285 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -34.551 33.329 14.464 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -33.336 32.520 14.863 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -32.108 25.489 10.313 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -32.066 25.266 9.383 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -31.259 25.887 10.503 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -35.236 22.753 15.148 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -35.645 23.568 14.856 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -34.516 22.613 14.533 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -34.232 22.199 17.962 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -34.427 22.804 17.247 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -34.050 21.365 17.527 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -37.700 27.153 13.403 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -38.444 26.646 13.080 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -37.834 27.202 14.349 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -30.550 26.286 22.189 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -29.908 26.743 21.646 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -31.380 26.399 21.727 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -33.084 21.834 13.263 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -32.192 21.697 13.582 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.027 22.625 12.726 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -35.574 28.612 12.428 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -35.869 29.438 12.810 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -36.277 27.992 12.624 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -32.743 25.638 20.444 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -33.671 25.406 20.417 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -32.292 24.861 20.114 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -36.745 31.186 12.895 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -37.562 31.683 12.948 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -36.216 31.661 12.255 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -31.872 23.427 18.983 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -32.669 23.012 18.654 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -31.427 22.736 19.474 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -30.785 32.683 20.605 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -30.941 33.361 19.948 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -29.853 32.755 20.808 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -36.382 31.781 9.828 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -37.026 31.150 10.150 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -35.620 31.250 9.596 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -31.778 31.598 10.062 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -31.495 30.804 10.515 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -31.038 31.831 9.501 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -35.471 28.555 9.655 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -35.739 28.735 10.556 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -35.677 27.629 9.524 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -28.069 33.333 20.834 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -28.091 33.518 21.773 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -27.379 33.902 20.493 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -28.601 27.785 20.680 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -27.767 27.407 20.399 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -28.489 28.728 20.561 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -29.743 22.141 10.674 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -29.646 22.808 9.994 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -29.883 21.325 10.192 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -30.573 23.521 16.295 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -30.723 22.576 16.275 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -30.927 23.802 17.139 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -30.495 19.549 9.791 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -29.885 19.177 10.428 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -31.332 19.127 9.987 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -30.863 21.104 14.757 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -30.583 20.197 14.882 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -30.104 21.538 14.368 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -30.251 21.685 20.193 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -29.318 21.897 20.159 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -30.486 21.787 21.116 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -30.249 18.367 14.806 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -30.067 17.918 15.631 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -30.849 17.782 14.342 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -28.383 18.434 11.334 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -27.970 17.713 10.858 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -27.701 19.104 11.392 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -31.331 33.423 16.406 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -30.678 33.076 15.798 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -30.820 33.912 17.052 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -29.119 17.296 17.260 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -28.507 16.782 16.733 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -28.736 18.174 17.283 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -36.060 33.640 11.734 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -35.194 34.006 11.556 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -36.307 33.200 10.921 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -29.351 33.203 14.414 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -29.545 32.455 13.849 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -29.390 33.961 13.830 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -28.598 37.985 -35.288 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -28.549 38.595 -34.552 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -28.172 38.446 -36.011 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -34.120 40.778 -35.821 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -33.977 39.831 -35.801 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -34.226 40.985 -36.750 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -33.243 39.010 -40.148 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -32.597 38.681 -39.523 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -32.733 39.528 -40.771 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -42.155 37.797 -34.475 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -42.374 38.327 -35.241 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -42.823 38.024 -33.827 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -31.479 38.301 -38.167 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -31.694 37.535 -37.635 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -30.823 38.773 -37.654 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -38.129 35.103 -37.022 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -38.246 34.154 -37.076 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -38.984 35.435 -36.749 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -28.493 43.318 -34.228 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -29.145 44.013 -34.139 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -28.028 43.528 -35.038 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -32.559 42.324 -32.502 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -32.479 43.087 -31.930 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -33.160 42.603 -33.193 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -40.860 36.006 -36.244 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -41.721 35.919 -36.652 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -40.882 36.862 -35.817 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -36.134 41.784 -29.932 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -36.697 41.080 -29.612 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -35.308 41.664 -29.465 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -34.232 41.055 -38.606 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -34.427 41.660 -39.321 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -34.050 40.221 -39.041 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -34.968 42.693 -33.935 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -34.644 42.062 -34.578 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -35.408 42.158 -33.274 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -38.190 38.620 -39.151 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -39.101 38.677 -38.862 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -37.685 38.560 -38.340 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.870 41.408 -37.264 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -36.306 40.861 -37.811 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -37.018 40.886 -36.475 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -38.244 39.796 -34.850 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -39.079 40.250 -34.740 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -37.720 40.072 -34.098 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -36.678 40.625 -32.516 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -36.559 41.199 -31.759 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -36.023 39.937 -32.401 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -36.330 36.720 -40.763 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -36.677 37.338 -40.118 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -35.672 37.221 -41.244 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -40.045 39.584 -30.904 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -39.895 38.855 -31.507 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -40.043 40.361 -31.463 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -39.633 37.954 -33.412 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -39.097 38.405 -34.064 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -40.485 37.846 -33.834 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -33.635 41.208 -28.144 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -33.443 40.277 -28.255 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -32.778 41.633 -28.154 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -32.319 43.997 -30.066 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -32.600 44.706 -30.644 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -31.376 43.924 -30.217 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -37.563 39.732 -29.417 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -37.799 39.512 -28.515 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -38.346 39.525 -29.926 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -33.213 37.493 -28.336 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -33.310 36.541 -28.342 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -33.535 37.762 -27.475 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -38.252 36.387 -28.255 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -38.383 35.911 -29.076 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -38.851 37.131 -28.311 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -29.717 44.347 -30.634 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -29.134 43.613 -30.443 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -29.153 45.119 -30.588 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -28.220 42.250 -29.950 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -29.083 41.871 -30.115 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -27.616 41.511 -30.024 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -30.251 40.541 -36.375 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -29.318 40.753 -36.409 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -30.486 40.643 -35.452 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -30.222 41.278 -33.599 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -31.065 41.546 -33.233 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -29.779 42.100 -33.810 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -30.249 37.223 -41.762 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -30.067 36.774 -40.937 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -30.849 36.638 -42.226 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -35.988 36.906 -37.754 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -36.663 36.277 -37.499 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -35.424 36.422 -38.357 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -29.119 36.152 -39.308 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -28.507 35.638 -39.835 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -28.736 37.030 -39.285 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -39.082 35.467 -40.119 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -38.208 35.855 -40.149 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -39.218 35.252 -39.196 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -32.172 35.523 -42.777 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -32.875 36.137 -42.987 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -32.617 34.685 -42.646 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -41.731 35.405 -28.879 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -40.832 35.131 -29.064 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -42.117 34.662 -28.415 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -31.944 46.890 -19.397 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -32.385 46.170 -18.947 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -31.957 47.611 -18.767 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -31.479 38.301 -19.311 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -31.694 37.535 -18.779 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -30.823 38.773 -18.798 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -31.432 48.730 -17.049 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -32.374 48.788 -16.888 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -31.156 49.636 -17.186 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -32.021 48.412 -21.915 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -32.278 47.722 -22.527 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -31.950 47.969 -21.070 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -30.335 46.978 -13.438 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -30.195 46.387 -14.177 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -30.167 47.851 -13.794 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -28.493 43.318 -15.372 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -29.145 44.013 -15.283 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -28.028 43.528 -16.182 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -32.456 44.150 -22.714 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -33.188 44.378 -22.141 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -32.009 43.436 -22.259 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -32.559 42.324 -13.646 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -32.479 43.087 -13.074 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -33.160 42.603 -14.337 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -30.628 41.152 -11.381 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -31.035 41.633 -12.101 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -30.587 40.247 -11.688 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -32.871 39.484 -13.160 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -33.385 39.358 -12.363 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -33.026 40.396 -13.405 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -32.108 44.345 -27.399 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -32.066 44.122 -28.329 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -31.259 44.743 -27.209 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -36.535 38.221 -26.729 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -36.789 38.240 -25.806 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -36.792 37.349 -27.030 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -39.653 38.666 -27.628 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -40.084 38.221 -26.898 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -40.371 39.038 -28.140 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -33.785 37.855 -17.031 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -34.462 37.986 -16.367 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -34.271 37.700 -17.841 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -30.550 45.142 -15.523 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -29.908 45.599 -16.066 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -31.380 45.255 -15.985 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -33.802 38.823 -26.110 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -34.740 38.935 -26.261 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -33.505 39.680 -25.804 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -33.084 40.690 -24.449 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -32.192 40.553 -24.130 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -33.027 41.481 -24.986 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -28.199 40.900 -24.755 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -28.753 40.504 -25.427 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -28.098 41.810 -25.032 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -28.235 46.700 -11.918 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -29.087 46.938 -12.285 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -27.645 46.683 -12.671 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -29.903 49.686 -24.290 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -30.276 48.860 -23.980 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -29.626 49.503 -25.187 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -32.743 44.494 -17.268 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -33.671 44.262 -17.295 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -32.292 43.717 -17.598 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -31.645 46.335 -24.243 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -31.922 45.607 -23.687 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -30.718 46.454 -24.037 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -34.414 37.911 -23.680 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -34.194 38.383 -24.483 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -33.856 38.306 -23.009 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -30.474 38.532 -12.825 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -31.390 38.795 -12.913 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -30.138 38.529 -13.722 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -31.872 42.283 -18.729 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -32.669 41.868 -19.058 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -31.427 41.592 -18.238 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -29.213 44.934 -27.779 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -29.486 44.509 -28.592 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -29.173 45.865 -27.996 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -28.754 45.803 -23.804 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -27.904 46.224 -23.676 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -28.749 45.063 -23.196 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -28.601 46.641 -17.032 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -27.767 46.263 -17.313 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -28.489 47.584 -17.151 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -28.092 43.757 -25.589 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -28.613 44.114 -26.308 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -28.125 44.432 -24.911 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.743 40.997 -27.038 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -29.646 41.664 -27.718 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -29.883 40.181 -27.520 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -30.573 42.377 -21.417 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -30.723 41.432 -21.437 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.927 42.658 -20.573 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -29.717 44.347 -11.778 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -29.134 43.613 -11.587 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -29.153 45.119 -11.732 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -28.220 42.250 -11.094 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -29.083 41.871 -11.259 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -27.616 41.511 -11.168 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -30.863 39.960 -22.955 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -30.583 39.053 -22.830 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -30.104 40.394 -23.344 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -30.251 40.541 -17.519 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -29.318 40.753 -17.553 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -30.486 40.643 -16.596 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -30.222 41.278 -14.743 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -31.065 41.546 -14.377 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -29.779 42.100 -14.954 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -30.249 37.223 -22.906 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.067 36.774 -22.081 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -30.849 36.638 -23.370 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -28.419 37.367 -11.040 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -29.336 37.638 -11.076 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -28.296 36.832 -11.824 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -30.846 35.013 -18.786 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.242 35.561 -19.287 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -31.715 35.333 -19.026 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -29.119 36.152 -20.452 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -28.507 35.638 -20.979 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -28.736 37.030 -20.429 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -33.525 35.497 -19.614 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -33.449 35.592 -20.563 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -33.801 34.589 -19.485 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -32.172 35.523 -23.921 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -32.875 36.137 -24.131 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -32.617 34.685 -23.790 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -28.598 37.985 2.424 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -28.549 38.595 3.160 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -28.172 38.446 1.701 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -33.243 39.010 -2.436 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.597 38.681 -1.811 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -32.733 39.528 -3.059 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -28.206 39.463 4.660 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -28.895 40.121 4.565 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -28.191 39.266 5.597 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -31.479 38.301 -0.455 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -31.694 37.535 0.077 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -30.823 38.773 0.058 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -28.493 43.318 3.484 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -29.145 44.013 3.573 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -28.028 43.528 2.674 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -30.628 41.152 7.475 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -31.035 41.633 6.755 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -30.587 40.247 7.168 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -36.197 35.728 4.842 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -35.777 35.313 5.595 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -37.130 35.550 4.959 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -32.871 39.484 5.696 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -33.385 39.358 6.493 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -33.026 40.396 5.451 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -33.785 37.855 1.825 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -34.462 37.986 2.489 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -34.271 37.700 1.015 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -28.199 40.900 -5.899 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -28.753 40.504 -6.571 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.098 41.810 -6.176 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -35.198 38.259 4.079 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -34.500 38.333 4.729 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -35.579 37.395 4.234 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -34.414 37.911 -4.824 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -34.194 38.383 -5.627 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -33.856 38.306 -4.153 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -29.213 44.934 -8.923 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -29.486 44.509 -9.736 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -29.173 45.865 -9.140 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -34.847 38.859 7.371 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -35.795 38.891 7.503 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -34.535 38.234 8.025 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -33.213 37.493 9.376 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -33.310 36.541 9.370 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -33.535 37.762 10.237 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -28.754 45.803 -4.948 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -27.904 46.224 -4.820 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -28.749 45.063 -4.340 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -28.360 43.856 -3.124 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -29.086 43.377 -2.726 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -27.779 44.062 -2.392 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -28.601 46.641 1.824 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -27.767 46.263 1.543 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -28.489 47.584 1.705 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -28.092 43.757 -6.733 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -28.613 44.114 -7.452 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -28.125 44.432 -6.055 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -29.743 40.997 -8.182 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -29.646 41.664 -8.862 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -29.883 40.181 -8.664 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -30.573 42.377 -2.561 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -30.723 41.432 -2.581 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -30.927 42.658 -1.717 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -28.220 42.250 7.762 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -29.083 41.871 7.597 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -27.616 41.511 7.688 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -30.495 38.405 -9.065 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -29.885 38.033 -8.428 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -31.332 37.983 -8.869 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -30.863 39.960 -4.099 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -30.583 39.053 -3.974 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -30.104 40.394 -4.488 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -30.251 40.541 1.337 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -29.318 40.753 1.303 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -30.486 40.643 2.260 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -30.222 41.278 4.113 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -31.065 41.546 4.479 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -29.779 42.100 3.902 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -30.249 37.223 -4.050 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -30.067 36.774 -3.225 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -30.849 36.638 -4.514 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -35.988 36.906 -0.042 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -36.663 36.277 0.213 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -35.424 36.422 -0.645 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -33.525 35.497 -0.758 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -33.449 35.592 -1.707 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -33.801 34.589 -0.629 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -32.172 35.523 -5.065 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -32.875 36.137 -5.275 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -32.617 34.685 -4.934 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -33.309 34.737 9.015 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -33.233 34.311 9.869 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -32.416 34.751 8.673 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -29.887 35.062 12.496 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -30.786 35.201 12.791 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -29.635 35.893 12.094 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -28.199 40.900 12.957 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -28.753 40.504 12.285 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -28.098 41.810 12.680 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -28.092 43.757 12.123 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -28.613 44.114 11.404 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -28.125 44.432 12.801 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -29.743 40.997 10.674 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -29.646 41.664 9.994 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -29.883 40.181 10.192 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -30.495 38.405 9.791 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -29.885 38.033 10.428 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -31.332 37.983 9.987 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -30.863 39.960 14.757 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -30.583 39.053 14.882 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -30.104 40.394 14.368 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -30.249 37.223 14.806 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -30.067 36.774 15.631 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -30.849 36.638 14.342 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -30.846 35.013 18.926 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -30.242 35.561 18.425 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -31.715 35.333 18.686 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -29.119 36.152 17.260 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -28.507 35.638 16.733 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -28.736 37.030 17.283 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -33.525 35.497 18.098 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -33.449 35.592 17.149 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -33.801 34.589 18.227 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -32.172 35.523 13.791 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -32.875 36.137 13.581 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -32.617 34.685 13.922 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -8.924 11.947 -11.861 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -8.973 10.992 -11.898 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -9.750 12.215 -11.459 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -11.642 15.815 -10.754 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -11.442 16.239 -11.589 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -10.986 16.158 -10.147 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -9.379 8.988 -11.918 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -10.231 9.226 -12.285 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -8.789 8.971 -12.671 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -21.618 13.417 -9.259 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -20.850 12.958 -8.918 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -21.639 13.191 -10.189 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -9.650 14.044 -13.956 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -10.137 13.309 -14.327 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -9.101 13.651 -13.278 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -11.199 9.834 -9.318 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -12.065 9.729 -8.924 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -10.823 10.593 -8.871 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -17.825 13.870 -11.545 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -17.640 13.536 -10.667 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -16.978 14.179 -11.867 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -15.480 15.155 -12.301 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -14.803 14.523 -12.541 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -15.158 15.557 -11.493 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -11.277 13.098 -11.148 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -12.059 12.912 -11.668 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -11.349 14.027 -10.931 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -15.727 6.984 -2.262 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -15.638 7.928 -2.394 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -16.366 6.709 -2.920 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -16.794 6.239 1.157 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -16.832 5.593 1.862 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -17.117 5.773 0.386 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -24.426 5.854 2.750 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -24.384 5.228 3.474 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -23.723 6.477 2.932 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -13.088 9.178 -0.541 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -13.529 8.458 -0.091 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -13.101 9.899 0.089 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -23.502 10.304 1.285 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -23.872 9.502 0.916 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -22.561 10.135 1.332 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -26.182 6.126 -1.196 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -25.968 5.356 -0.669 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -25.444 6.215 -1.799 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -15.264 3.066 1.891 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -15.121 2.119 1.911 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -15.370 3.273 0.962 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -20.333 5.114 -0.859 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -19.717 4.588 -0.350 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -20.919 4.474 -1.263 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -15.930 9.585 -3.219 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -16.226 9.263 -4.070 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -16.254 10.485 -3.177 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -26.201 9.396 -4.906 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -26.473 9.625 -5.795 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -26.156 10.234 -4.446 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -12.576 11.018 1.807 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -13.518 11.076 1.968 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -12.300 11.924 1.670 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -14.324 12.799 -1.568 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -13.899 12.092 -2.053 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -14.007 13.600 -1.985 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -13.165 10.700 -3.059 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -13.422 10.010 -3.671 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -13.094 10.257 -2.214 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -11.479 9.266 5.418 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -11.339 8.675 4.679 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -11.311 10.139 5.062 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -17.006 6.228 -4.810 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -17.718 6.763 -5.161 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -16.315 6.284 -5.470 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -9.637 5.606 3.484 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -10.289 6.301 3.573 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -9.172 5.816 2.674 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -13.600 6.438 -3.858 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -14.332 6.666 -3.285 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -13.153 5.724 -3.403 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -21.588 5.837 1.658 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -21.023 5.958 0.895 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -21.269 6.474 2.297 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -20.708 10.236 6.375 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -21.020 11.018 6.831 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -21.358 10.083 5.689 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -23.788 6.434 5.604 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -23.718 7.085 6.302 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -24.679 6.537 5.269 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -22.965 6.138 -4.386 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -23.257 6.906 -4.877 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -23.639 5.478 -4.549 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -9.841 11.716 -7.983 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -9.768 12.655 -7.813 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -8.936 11.411 -8.040 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -26.872 8.501 4.429 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -27.373 8.473 3.614 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -26.866 7.595 4.739 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -27.121 11.281 1.313 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -26.175 11.137 1.294 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -27.234 12.065 1.850 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -8.924 11.947 6.995 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -8.973 10.992 6.958 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -9.750 12.215 7.397 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -23.877 14.082 -2.542 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -23.725 13.734 -1.663 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -24.728 13.726 -2.797 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -14.429 14.447 -7.320 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -14.054 13.703 -7.791 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -14.425 14.177 -6.402 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -14.760 14.373 -4.571 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -15.695 14.473 -4.392 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -14.480 13.664 -3.993 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -11.772 3.440 7.475 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -12.179 3.921 6.755 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -11.731 2.535 7.168 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -24.623 9.824 5.472 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -24.406 9.463 6.332 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -25.478 9.450 5.262 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -21.913 3.260 2.563 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -22.555 3.219 3.272 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -21.876 4.186 2.325 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -21.916 3.481 -2.525 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -22.809 3.140 -2.584 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -21.465 3.104 -3.281 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -16.380 3.897 -3.708 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -16.789 4.712 -4.000 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -15.660 3.757 -4.323 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -15.376 3.343 -0.894 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -15.571 3.948 -1.609 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -15.194 2.509 -1.329 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -16.112 4.981 3.777 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -15.788 4.350 3.134 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -16.552 4.446 4.438 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -24.044 8.289 7.710 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -23.311 8.543 8.271 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -24.824 8.493 8.225 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -18.014 3.696 0.448 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -17.450 3.149 -0.099 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -18.162 3.174 1.237 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -19.388 2.084 2.862 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -20.223 2.538 2.972 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -18.864 2.360 3.614 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -18.844 8.297 -5.453 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -19.588 7.790 -5.776 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -18.978 8.346 -4.507 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -11.694 7.430 3.333 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -11.052 7.887 2.790 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -12.524 7.543 2.871 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -23.719 7.592 0.316 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -22.974 7.590 -0.285 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -23.641 6.768 0.798 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -16.718 9.756 -6.428 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -17.013 10.582 -6.046 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -17.421 9.136 -6.232 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -19.694 5.570 7.844 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -19.990 5.404 6.949 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -18.763 5.350 7.834 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -9.379 8.988 6.938 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -10.231 9.226 6.571 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -8.789 8.971 6.185 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -11.047 11.974 -5.434 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -11.420 11.148 -5.124 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -10.770 11.791 -6.331 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -13.887 6.782 1.588 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -14.815 6.550 1.561 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -13.436 6.005 1.258 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -21.233 13.795 -3.158 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -22.183 13.900 -3.106 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -20.882 14.615 -2.813 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -15.858 9.021 3.313 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -16.284 8.794 4.139 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -15.277 8.283 3.130 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -12.789 8.623 -5.387 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -13.066 7.895 -4.831 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -11.862 8.742 -5.181 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -19.564 11.062 -9.166 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -19.325 10.314 -9.714 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -19.833 10.674 -8.334 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -20.627 10.632 -6.710 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -20.480 10.112 -5.920 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -20.630 11.539 -6.404 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -24.174 7.885 -6.200 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -24.860 8.237 -5.633 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -23.651 8.648 -6.446 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -17.889 12.330 -5.961 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -18.706 12.827 -5.908 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -17.360 12.805 -6.601 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -20.551 13.373 -5.979 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -20.390 14.173 -6.480 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -20.748 13.680 -5.094 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -23.558 10.499 -7.303 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -22.966 11.198 -7.027 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -23.099 10.066 -8.022 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -25.504 11.885 -3.353 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -26.336 12.358 -3.326 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -24.958 12.395 -3.952 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -26.215 14.498 7.977 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -25.675 14.281 8.736 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -26.696 13.692 7.787 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -21.618 13.417 9.597 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -20.850 12.958 9.938 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -21.639 13.191 8.667 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -17.526 12.925 -9.028 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -18.170 12.294 -8.706 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.764 12.394 -9.260 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -12.922 12.742 -8.794 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -12.639 11.948 -8.341 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -12.182 12.975 -9.355 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -26.308 8.308 8.931 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -26.164 7.406 8.645 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -27.081 8.594 8.443 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -21.967 8.652 -8.937 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -21.903 7.858 -8.406 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -21.314 8.533 -9.626 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -19.653 8.278 8.364 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -19.981 8.549 7.506 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -19.501 7.337 8.276 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -13.918 8.194 5.747 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -13.173 8.782 5.627 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -14.675 8.776 5.810 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -20.818 6.624 -6.631 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -21.277 6.140 -5.945 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -20.563 5.956 -7.267 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -21.529 4.517 5.725 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -22.147 5.192 6.006 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -21.185 4.838 4.892 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -16.509 6.988 9.003 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -15.556 7.072 8.975 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -16.669 6.277 9.622 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -10.357 7.222 -8.923 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -10.630 6.797 -9.736 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -10.317 8.153 -9.140 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -19.195 5.681 4.540 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -18.444 5.525 3.967 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -19.534 6.533 4.264 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -13.463 6.285 7.646 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -13.744 6.994 7.068 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -12.520 6.212 7.495 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -27.632 15.587 -2.807 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -28.279 15.125 -3.340 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -27.277 14.915 -2.224 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -26.762 13.668 -1.002 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -27.096 12.787 -0.830 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -26.540 14.013 -0.138 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -9.898 8.091 -4.948 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -9.048 8.512 -4.820 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -9.893 7.351 -4.340 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -9.504 6.144 -3.124 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -10.230 5.665 -2.726 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -8.923 6.350 -2.392 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -9.745 8.929 1.824 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -8.911 8.551 1.543 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -9.633 9.872 1.705 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -11.258 11.807 4.131 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -11.906 12.132 4.756 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -11.776 11.367 3.456 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -9.236 6.045 -6.733 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -9.757 6.402 -7.452 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -9.269 6.720 -6.055 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -11.717 4.665 -2.561 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -11.867 3.720 -2.581 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -12.071 4.946 -1.717 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -26.682 6.743 1.449 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -26.498 6.661 0.514 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -25.833 6.619 1.873 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -10.861 6.635 7.078 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -10.278 5.901 7.269 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -10.297 7.407 7.124 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -9.364 4.538 7.762 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -10.227 4.159 7.597 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -8.760 3.799 7.688 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -12.475 14.567 -2.450 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -11.822 14.220 -3.058 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -11.964 15.056 -1.804 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -25.090 11.496 8.093 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -25.911 11.671 7.633 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -25.342 11.423 9.014 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -10.495 14.347 -4.442 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -10.689 13.599 -5.007 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -10.534 15.105 -5.026 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -24.250 14.494 -8.494 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -24.518 14.781 -7.621 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -23.479 13.948 -8.342 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -15.727 6.984 16.594 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -15.638 7.928 16.462 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -16.366 6.709 15.936 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -13.088 9.178 18.315 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -13.529 8.458 18.765 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -13.101 9.899 18.945 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -15.930 9.585 15.637 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -16.226 9.263 14.786 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -16.254 10.485 15.679 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -13.165 10.700 15.797 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -13.422 10.010 15.185 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -13.094 10.257 16.642 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -11.479 9.266 24.274 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -11.339 8.675 23.535 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -11.311 10.139 23.918 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -13.600 6.438 14.998 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -14.332 6.666 15.571 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -13.153 5.724 15.453 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -20.588 10.496 19.562 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -20.683 9.918 18.805 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -19.859 10.125 20.058 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -15.279 11.340 21.248 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -15.520 12.002 21.896 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -15.477 10.506 21.673 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -14.729 5.600 12.683 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -14.150 5.750 13.430 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -14.315 6.071 11.960 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -17.003 12.337 16.118 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -16.529 12.632 16.896 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -17.566 13.075 15.885 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -8.924 11.947 25.851 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -8.973 10.992 25.814 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -9.750 12.215 26.253 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -23.877 14.082 16.314 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -23.725 13.734 17.193 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -24.728 13.726 16.059 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -14.429 14.447 11.536 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -14.054 13.703 11.065 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -14.425 14.177 12.454 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -14.760 14.373 14.285 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -15.695 14.473 14.464 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -14.480 13.664 14.863 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -13.252 6.633 10.313 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -13.210 6.410 9.383 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -12.403 7.031 10.503 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -11.642 15.815 26.958 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -11.442 16.239 26.123 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -10.986 16.158 27.565 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -11.694 7.430 22.189 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -11.052 7.887 21.646 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -12.524 7.543 21.727 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -16.718 9.756 12.428 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -17.013 10.582 12.810 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -17.421 9.136 12.624 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -15.074 10.943 24.590 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -15.975 11.126 24.322 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -15.040 11.202 25.511 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -9.343 3.188 12.957 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -9.897 2.792 12.285 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -9.242 4.098 12.680 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -13.887 6.782 20.444 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -14.815 6.550 20.417 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -13.436 6.005 20.114 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.344 11.110 16.577 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -20.817 11.883 16.376 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -22.224 11.335 16.275 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -19.402 12.922 22.468 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -19.039 13.777 22.235 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -18.870 12.630 23.209 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -21.233 13.795 15.698 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -22.183 13.900 15.750 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -20.882 14.615 16.043 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -15.858 9.021 22.169 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -16.284 8.794 22.995 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -15.277 8.283 21.986 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -13.655 9.950 11.243 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -13.302 9.570 12.047 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -14.604 9.857 11.329 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -13.199 13.573 24.638 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -13.801 13.018 24.143 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -12.918 14.240 24.012 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -12.789 8.623 13.469 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -13.066 7.895 14.025 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -11.862 8.742 13.675 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -19.564 11.062 9.690 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -19.325 10.314 9.142 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -19.833 10.674 10.522 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -20.627 10.632 12.146 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -20.480 10.112 12.936 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -20.630 11.539 12.452 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -17.889 12.330 12.895 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -18.706 12.827 12.948 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -17.360 12.805 12.255 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -20.551 13.373 12.877 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -20.390 14.173 12.376 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -20.748 13.680 13.762 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -23.558 10.499 11.553 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -22.966 11.198 11.829 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -23.099 10.066 10.834 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -21.967 8.652 9.919 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -21.903 7.858 10.450 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -21.314 8.533 9.230 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -16.615 9.699 9.655 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -16.883 9.879 10.556 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -16.821 8.773 9.524 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -13.918 8.194 24.603 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -13.173 8.782 24.483 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -14.675 8.776 24.666 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -19.849 15.558 11.489 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -18.916 15.716 11.633 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -20.113 16.233 10.864 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -26.281 10.194 10.972 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -25.367 10.273 11.245 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -26.274 9.507 10.305 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -27.632 15.587 16.049 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -28.279 15.125 15.516 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -27.277 14.915 16.632 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -9.650 14.044 23.756 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -10.137 13.309 23.385 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -9.101 13.651 24.434 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -9.504 6.144 15.732 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -10.230 5.665 16.130 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -8.923 6.350 16.464 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -9.745 8.929 20.680 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -8.911 8.551 20.399 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -9.633 9.872 20.561 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -11.258 11.807 22.987 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -11.906 12.132 23.612 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -11.776 11.367 22.312 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -10.887 3.285 10.674 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -10.790 3.952 9.994 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -11.027 2.469 10.192 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -11.717 4.665 16.295 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -11.867 3.720 16.275 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -12.071 4.946 17.139 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -12.007 2.248 14.757 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -11.727 1.341 14.882 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -11.248 2.682 14.368 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -15.480 15.155 25.411 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -14.803 14.523 25.171 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -15.158 15.557 26.219 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -22.267 15.327 22.285 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -23.132 15.399 22.689 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -22.322 15.874 21.501 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -17.556 15.215 21.461 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -18.013 15.744 20.807 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -17.393 15.818 22.186 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -15.229 14.093 22.406 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -16.133 14.258 22.140 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -14.800 14.946 22.340 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -25.319 14.350 20.166 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -25.338 13.925 21.023 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -24.514 14.032 19.757 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -23.178 13.060 18.821 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -23.397 12.144 18.990 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -22.354 13.200 19.287 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -20.641 13.530 19.669 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -20.428 12.642 19.382 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -20.576 13.496 20.624 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -26.068 13.574 13.337 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -26.753 13.536 12.669 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -26.065 14.487 13.625 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -17.204 14.784 11.734 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -16.338 15.150 11.556 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -17.451 14.344 10.921 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -24.250 14.494 10.362 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -24.518 14.781 11.235 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -23.479 13.948 10.514 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -11.277 13.098 26.564 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -12.059 12.912 26.044 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -11.349 14.027 26.781 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -23.502 29.160 -36.427 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -23.872 28.358 -36.796 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -22.561 28.991 -36.380 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -20.730 26.617 -34.187 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -21.470 27.215 -34.084 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -20.016 27.171 -34.503 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -22.322 28.581 -33.400 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -22.328 29.460 -33.778 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -23.176 28.498 -32.975 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -11.479 28.122 -32.294 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -11.339 27.531 -33.033 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -11.311 28.995 -32.650 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -20.588 29.352 -37.006 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -20.683 28.774 -37.763 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -19.859 28.981 -36.510 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -20.708 29.092 -31.337 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -21.020 29.874 -30.881 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -21.358 28.939 -32.023 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -23.788 25.290 -32.108 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -23.718 25.941 -31.410 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -24.679 25.393 -32.443 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -26.872 27.357 -33.283 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -27.373 27.329 -34.098 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -26.866 26.451 -32.973 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -27.121 30.137 -36.399 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -26.175 29.993 -36.418 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -27.234 30.921 -35.862 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -8.924 30.803 -30.717 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -8.973 29.848 -30.754 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -9.750 31.071 -30.315 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -17.945 30.377 -31.841 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -17.858 31.203 -31.366 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -18.809 30.047 -31.592 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -11.642 34.671 -29.610 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -11.442 35.095 -30.445 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -10.986 35.014 -29.003 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -17.324 27.337 -31.928 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -17.670 26.956 -31.122 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -17.524 28.271 -31.857 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -26.711 24.909 -32.081 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -26.488 24.491 -31.249 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -27.313 24.296 -32.503 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -15.074 29.799 -31.978 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -15.975 29.982 -32.246 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -15.040 30.058 -31.057 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -9.379 27.844 -30.774 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -10.231 28.082 -31.141 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -8.789 27.827 -31.527 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -19.402 31.778 -34.100 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -19.039 32.633 -34.333 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -18.870 31.486 -33.359 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -13.199 32.429 -31.930 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -13.801 31.874 -32.425 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -12.918 33.096 -32.556 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -26.308 27.164 -28.781 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -26.164 26.262 -29.067 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -27.081 27.450 -29.269 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -19.653 27.134 -29.348 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -19.981 27.405 -30.206 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -19.501 26.193 -29.436 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -13.918 27.050 -31.965 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -13.173 27.638 -32.085 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -14.675 27.632 -31.902 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -25.476 24.364 -29.361 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -25.068 23.507 -29.482 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -25.736 24.379 -28.440 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -16.509 25.844 -28.709 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -15.556 25.928 -28.737 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -16.669 25.133 -28.090 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -13.463 25.141 -30.066 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -13.744 25.850 -30.644 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -12.520 25.068 -30.217 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -27.632 34.443 -40.519 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -28.279 33.981 -41.052 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -27.277 33.771 -39.936 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -26.762 32.524 -38.714 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -27.096 31.643 -38.542 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -26.540 32.869 -37.850 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -9.650 32.900 -32.812 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -10.137 32.165 -33.183 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -9.101 32.507 -32.134 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -11.199 28.690 -28.174 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -12.065 28.585 -27.780 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -10.823 29.449 -27.727 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -11.258 30.663 -33.581 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -11.906 30.988 -32.956 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -11.776 30.223 -34.256 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -26.682 25.599 -36.263 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -26.498 25.517 -37.198 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -25.833 25.475 -35.839 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -17.825 32.726 -30.401 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -17.640 32.392 -29.523 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -16.978 33.035 -30.723 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -15.480 34.011 -31.157 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -14.803 33.379 -31.397 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -15.158 34.413 -30.349 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -17.556 34.071 -35.107 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -18.013 34.600 -35.761 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -17.393 34.674 -34.382 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -15.229 32.949 -34.162 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -16.133 33.114 -34.428 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -14.800 33.802 -34.228 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -12.624 34.519 -33.867 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -12.806 35.435 -34.078 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -12.448 34.109 -34.714 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -25.319 33.206 -36.402 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -25.338 32.781 -35.545 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -24.514 32.888 -36.811 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -23.178 31.916 -37.747 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -23.397 31.000 -37.578 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -22.354 32.056 -37.281 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -20.641 32.386 -36.899 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -20.428 31.498 -37.186 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -20.576 32.352 -35.944 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -11.277 31.954 -30.004 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -12.059 31.768 -30.524 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -11.349 32.883 -29.787 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -15.727 25.840 -21.118 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -15.638 26.784 -21.250 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -16.366 25.565 -21.776 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -24.426 24.710 -16.106 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -24.384 24.084 -15.382 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -23.723 25.333 -15.924 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -13.088 28.034 -19.397 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -13.529 27.314 -18.947 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -13.101 28.755 -18.767 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -23.502 29.160 -17.571 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -23.872 28.358 -17.940 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -22.561 28.991 -17.524 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -26.182 24.982 -20.052 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -25.968 24.212 -19.525 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -25.444 25.071 -20.655 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -15.977 33.139 -19.185 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -15.357 32.462 -19.458 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -16.185 32.921 -18.277 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -9.350 20.607 -14.196 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -10.039 21.265 -14.291 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -9.335 20.410 -13.259 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -15.930 28.441 -22.075 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -16.226 28.119 -22.926 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -16.254 29.341 -22.033 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -20.730 26.617 -15.331 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -21.470 27.215 -15.228 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -20.016 27.171 -15.647 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -22.322 28.581 -14.544 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -22.328 29.460 -14.922 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.176 28.498 -14.119 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -14.324 31.655 -20.424 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -13.899 30.948 -20.909 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -14.007 32.456 -20.841 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -13.165 29.556 -21.915 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -13.422 28.866 -22.527 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -13.094 29.113 -21.070 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -11.479 28.122 -13.438 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -11.339 27.531 -14.177 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -11.311 28.995 -13.794 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -17.006 25.084 -23.666 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -17.718 25.619 -24.017 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -16.315 25.140 -24.326 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -9.637 24.462 -15.372 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -10.289 25.157 -15.283 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -9.172 24.672 -16.182 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -13.600 25.294 -22.714 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -14.332 25.522 -22.141 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -13.153 24.580 -22.259 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -13.703 23.468 -13.646 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -13.623 24.231 -13.074 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -14.304 23.747 -14.337 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -21.955 25.924 -20.831 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -22.285 25.554 -21.650 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -21.367 25.254 -20.485 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -15.279 30.196 -16.464 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -15.520 30.858 -15.816 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -15.477 29.362 -16.039 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -20.708 29.092 -12.481 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -21.020 29.874 -12.025 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -21.358 28.939 -13.167 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -14.729 24.456 -25.029 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -14.150 24.606 -24.282 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -14.315 24.927 -25.752 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -23.788 25.290 -13.252 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -23.718 25.941 -12.554 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -24.679 25.393 -13.587 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -17.003 31.193 -21.594 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -16.529 31.488 -20.816 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -17.566 31.931 -21.827 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -22.469 31.164 -11.717 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -22.461 31.028 -12.665 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -23.385 31.046 -11.465 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -22.965 24.994 -23.242 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -23.257 25.762 -23.733 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -23.639 24.334 -23.405 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -9.841 30.572 -26.839 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -9.768 31.511 -26.669 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -8.936 30.267 -26.896 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -26.872 27.357 -14.427 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -27.373 27.329 -15.242 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -26.866 26.451 -14.117 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -27.121 30.137 -17.543 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -26.175 29.993 -17.562 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -27.234 30.921 -17.006 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -17.945 30.377 -12.985 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -17.858 31.203 -12.510 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -18.809 30.047 -12.736 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -11.772 22.296 -11.381 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -12.179 22.777 -12.101 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -11.731 21.391 -11.688 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -24.623 28.680 -13.384 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -24.406 28.319 -12.524 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -25.478 28.306 -13.594 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -14.015 20.628 -13.160 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -14.529 20.502 -12.363 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -14.170 21.540 -13.405 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -13.252 25.489 -27.399 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -13.210 25.266 -28.329 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -12.403 25.887 -27.209 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -17.278 22.928 -11.076 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -17.841 22.224 -10.756 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -16.452 22.808 -10.609 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -24.163 22.436 -14.426 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -24.201 22.836 -13.558 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -24.654 21.619 -14.336 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -11.642 34.671 -10.754 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -11.442 35.095 -11.589 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -10.986 35.014 -10.147 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -18.844 27.153 -24.309 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -19.588 26.646 -24.632 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -18.978 27.202 -23.363 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -11.694 26.286 -15.523 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -11.052 26.743 -16.066 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -12.524 26.399 -15.985 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -17.324 27.337 -13.072 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -17.670 26.956 -12.266 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -17.524 28.271 -13.001 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -23.719 26.448 -18.540 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -22.974 26.446 -19.141 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -23.641 25.624 -18.058 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -16.718 28.612 -25.284 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -17.013 29.438 -24.902 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -17.421 27.992 -25.088 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -26.711 24.909 -13.225 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -26.488 24.491 -12.393 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -27.313 24.296 -13.647 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -19.694 24.426 -11.012 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -19.990 24.260 -11.907 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -18.763 24.206 -11.022 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -15.074 29.799 -13.122 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -15.975 29.982 -13.390 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -15.040 30.058 -12.201 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -11.047 30.830 -24.290 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -11.420 30.004 -23.980 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -10.770 30.647 -25.187 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -21.344 29.966 -21.135 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -20.817 30.739 -21.336 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -22.224 30.191 -21.437 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -25.589 24.828 -26.548 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -24.973 25.455 -26.169 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -26.451 25.144 -26.277 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -19.917 27.629 -21.559 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -20.158 28.554 -21.517 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -20.657 27.170 -21.163 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -19.402 31.778 -15.244 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -19.039 32.633 -15.477 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -18.870 31.486 -14.503 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -13.199 32.429 -13.074 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -13.801 31.874 -13.569 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -12.918 33.096 -13.700 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -9.151 33.286 -26.268 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -8.408 33.872 -26.408 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -9.846 33.854 -25.935 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -25.077 19.662 -13.667 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -25.970 20.001 -13.734 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -25.176 18.807 -13.249 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -12.789 27.479 -24.243 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -13.066 26.751 -23.687 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -11.862 27.598 -24.037 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -25.426 31.467 -15.232 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -25.209 30.535 -15.263 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -25.179 31.741 -14.348 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -19.564 29.918 -28.022 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -19.325 29.170 -28.570 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -19.833 29.530 -27.190 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -20.627 29.488 -25.566 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -20.480 28.968 -24.776 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -20.630 30.395 -25.260 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -24.174 26.741 -25.056 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -24.860 27.093 -24.489 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -23.651 27.504 -25.302 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -11.618 19.676 -12.825 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -12.534 19.939 -12.913 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -11.282 19.673 -13.722 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -11.929 32.683 -17.107 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -12.085 33.361 -17.764 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -10.997 32.755 -16.904 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -21.618 32.273 -9.259 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -20.850 31.814 -8.918 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -21.639 32.047 -10.189 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -15.041 30.653 -10.530 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -15.392 29.797 -10.287 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -14.315 30.796 -9.923 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -21.967 27.508 -27.793 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -21.903 26.714 -27.262 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -21.314 27.389 -28.482 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -19.653 27.134 -10.492 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -19.981 27.405 -11.350 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -19.501 26.193 -10.580 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -16.615 28.555 -28.057 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -16.883 28.735 -27.156 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -16.821 27.629 -28.188 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -13.918 27.050 -13.109 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -13.173 27.638 -13.229 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -14.675 27.632 -13.046 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -20.818 25.480 -25.487 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -21.277 24.996 -24.801 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -20.563 24.812 -26.123 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -21.529 23.373 -13.131 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -22.147 24.048 -12.850 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -21.185 23.694 -13.964 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -16.509 25.844 -9.853 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -15.556 25.928 -9.881 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -16.669 25.133 -9.234 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -10.357 26.078 -27.779 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -10.630 25.653 -28.592 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -10.317 27.009 -27.996 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -21.189 20.728 -12.048 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -21.039 19.999 -12.651 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -21.187 21.505 -12.607 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -19.195 24.537 -14.316 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -18.444 24.381 -14.889 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -19.534 25.389 -14.592 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -14.779 22.352 -9.288 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -14.587 21.421 -9.399 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -13.922 22.777 -9.298 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -13.463 25.141 -11.210 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -13.744 25.850 -11.788 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -12.520 25.068 -11.361 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -18.707 20.876 -10.561 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -18.943 20.656 -9.659 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -19.490 20.669 -11.070 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -15.991 20.003 -11.485 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -16.939 20.035 -11.353 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -15.679 19.378 -10.831 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -14.357 18.637 -9.480 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -14.454 17.685 -9.486 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -14.679 18.906 -8.619 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -24.530 19.847 -10.432 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -24.319 19.140 -11.043 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -24.642 19.409 -9.588 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -19.749 15.848 -11.453 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -19.037 15.208 -11.467 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -19.850 16.115 -12.367 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -9.213 33.333 -16.878 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -9.235 33.518 -15.939 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -8.523 33.902 -17.219 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -9.650 32.900 -13.956 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -10.137 32.165 -14.327 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -9.101 32.507 -13.278 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -9.898 26.947 -23.804 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -9.048 27.368 -23.676 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -9.893 26.207 -23.196 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -11.258 30.663 -14.725 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -11.906 30.988 -14.100 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -11.776 30.223 -15.400 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -10.861 25.491 -11.778 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -10.278 24.757 -11.587 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -10.297 26.263 -11.732 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -11.366 22.422 -14.743 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -12.209 22.690 -14.377 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -10.923 23.244 -14.954 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -27.084 20.870 -11.266 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -26.165 20.748 -11.030 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -27.534 20.120 -10.877 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -9.083 16.402 -9.389 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -8.733 15.748 -9.995 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -8.936 17.239 -9.829 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -9.563 18.511 -11.040 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -10.480 18.782 -11.076 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -9.440 17.976 -11.824 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -12.475 33.423 -21.306 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -11.822 33.076 -21.914 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -11.964 33.912 -20.660 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -25.090 30.352 -10.763 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -25.911 30.527 -11.223 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -25.342 30.279 -9.842 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -22.136 31.327 -14.504 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -22.561 32.136 -14.787 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -21.231 31.412 -14.806 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -17.825 32.726 -11.545 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -17.640 32.392 -10.667 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -16.978 33.035 -11.867 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -15.480 34.011 -12.301 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -14.803 33.379 -12.541 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -15.158 34.413 -11.493 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -10.562 16.601 -13.221 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -11.375 16.926 -13.609 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -10.329 15.841 -13.754 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -22.267 34.183 -15.427 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -23.132 34.255 -15.023 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -22.322 34.730 -16.211 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -17.556 34.071 -16.251 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -18.013 34.600 -16.905 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -17.393 34.674 -15.526 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -15.229 32.949 -15.306 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -16.133 33.114 -15.572 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -14.800 33.802 -15.372 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -12.624 34.519 -15.011 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -12.806 35.435 -15.222 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -12.448 34.109 -15.858 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -25.319 33.206 -17.546 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -25.338 32.781 -16.689 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -24.514 32.888 -17.955 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -23.178 31.916 -18.891 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -23.397 31.000 -18.722 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -22.354 32.056 -18.425 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -20.641 32.386 -18.043 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -20.428 31.498 -18.330 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -20.576 32.352 -17.088 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -10.495 33.203 -23.298 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -10.689 32.455 -23.863 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -10.534 33.961 -23.882 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -22.875 16.549 -10.023 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -21.976 16.275 -10.208 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -23.261 15.806 -9.559 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -14.453 15.881 -9.841 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -14.377 15.455 -8.987 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -13.560 15.895 -10.183 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -11.277 31.954 -11.148 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -12.059 31.768 -11.668 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -11.349 32.883 -10.931 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -16.952 23.542 -7.771 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -16.251 23.564 -7.120 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -16.650 22.914 -8.427 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -11.031 16.206 -6.360 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -11.930 16.345 -6.065 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -10.779 17.037 -6.762 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -27.555 19.552 -1.720 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -26.924 19.523 -1.000 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -27.105 19.127 -2.450 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -26.280 20.298 -6.296 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -25.806 20.889 -6.881 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -26.998 20.829 -5.949 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -19.564 29.918 -9.166 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -19.325 29.170 -9.714 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -19.833 29.530 -8.334 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -19.747 23.723 -8.368 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -19.927 23.569 -9.296 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -18.796 23.831 -8.324 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -11.639 19.549 -9.065 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -11.029 19.177 -8.428 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -12.476 19.127 -8.869 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -27.084 20.870 7.590 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -26.165 20.748 7.826 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -27.534 20.120 7.979 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -27.559 22.181 1.550 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -27.067 21.960 0.760 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -27.197 23.022 1.831 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -9.527 18.434 -7.522 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -9.114 17.713 -7.998 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -8.845 19.104 -7.464 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -27.246 18.439 -4.395 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -28.171 18.648 -4.525 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -26.792 18.923 -5.085 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -27.282 17.177 3.949 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -27.947 16.931 4.592 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -27.725 17.799 3.372 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -25.969 16.482 -6.417 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -25.530 17.093 -7.008 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -26.603 17.020 -5.943 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -24.108 18.398 -7.974 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -23.617 17.768 -8.502 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -23.485 18.694 -7.311 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -24.426 24.710 21.606 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -24.384 24.084 22.330 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -23.723 25.333 21.788 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -23.502 29.160 20.141 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -23.872 28.358 19.772 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -22.561 28.991 20.188 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -26.892 22.820 15.534 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -27.340 23.666 15.516 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -27.453 22.240 15.019 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -9.742 19.129 21.280 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -9.693 19.739 22.016 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -9.316 19.590 20.557 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -25.489 22.420 18.781 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -24.835 21.870 19.213 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -25.465 22.146 17.865 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -9.350 20.607 23.516 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -10.039 21.265 23.421 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -9.335 20.410 24.453 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -23.299 18.941 22.093 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -23.518 19.471 21.327 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -23.967 19.168 22.741 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -23.705 20.833 20.046 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -23.092 21.466 20.419 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -23.193 20.361 19.389 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -22.322 28.581 23.168 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -22.328 29.460 22.790 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -23.176 28.498 23.593 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -12.576 29.874 20.663 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -13.518 29.932 20.824 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -12.300 30.780 20.526 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -12.276 18.160 22.080 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -13.012 18.771 22.042 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -11.592 18.575 21.554 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -11.479 28.122 24.274 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -11.339 27.531 23.535 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -11.311 28.995 23.918 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -15.279 30.196 21.248 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -15.520 30.858 21.896 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -15.477 29.362 21.673 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -20.708 29.092 25.231 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -21.020 29.874 25.687 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -21.358 28.939 24.545 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -23.788 25.290 24.460 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -23.718 25.941 25.158 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -24.679 25.393 24.125 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -27.121 30.137 20.169 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -26.175 29.993 20.150 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -27.234 30.921 20.706 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -17.945 30.377 24.727 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -17.858 31.203 25.202 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -18.809 30.047 24.976 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -14.760 33.229 14.285 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.695 33.329 14.464 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -14.480 32.520 14.863 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -11.772 22.296 26.331 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -12.179 22.777 25.611 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -11.731 21.391 26.024 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -22.004 17.150 20.324 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -22.865 17.063 19.916 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -22.026 18.006 20.751 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -17.341 16.872 23.698 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -16.921 16.457 24.451 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -18.274 16.694 23.815 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -14.015 20.628 24.552 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -14.529 20.502 25.349 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -14.170 21.540 24.307 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -21.913 22.116 21.419 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -22.555 22.075 22.128 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -21.876 23.042 21.181 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -17.278 22.928 26.636 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -17.841 22.224 26.956 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -16.452 22.808 27.103 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -24.163 22.436 23.286 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -24.201 22.836 24.154 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -24.654 21.619 23.376 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -27.555 19.552 17.136 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -26.924 19.523 17.856 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -27.105 19.127 16.406 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -14.929 18.999 20.681 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -15.606 19.130 21.345 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -15.415 18.844 19.871 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -23.719 26.448 19.172 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -22.974 26.446 18.571 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -23.641 25.624 19.654 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -16.718 28.612 12.428 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -17.013 29.438 12.810 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -17.421 27.992 12.624 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -19.694 24.426 26.700 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -19.990 24.260 25.805 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -18.763 24.206 26.690 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -9.379 27.844 25.794 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -10.231 28.082 25.427 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -8.789 27.827 25.041 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -11.047 30.830 13.422 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -11.420 30.004 13.732 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -10.770 30.647 12.525 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -19.402 31.778 22.468 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -19.039 32.633 22.235 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -18.870 31.486 23.209 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -13.199 32.429 24.638 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -13.801 31.874 24.143 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -12.918 33.096 24.012 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -9.151 33.286 11.444 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -8.408 33.872 11.304 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -9.846 33.854 11.777 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -25.426 31.467 22.480 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -25.209 30.535 22.449 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -25.179 31.741 23.364 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -16.342 19.403 22.935 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -15.644 19.477 23.585 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -16.723 18.539 23.090 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -11.618 19.676 24.887 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -12.534 19.939 24.799 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -11.282 19.673 23.990 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -11.929 32.683 20.605 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -12.085 33.361 19.948 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -10.997 32.755 20.808 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -24.434 16.801 19.342 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -24.663 16.860 18.415 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -24.877 16.009 19.649 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -15.041 30.653 27.182 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -15.392 29.797 27.425 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -14.315 30.796 27.789 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -19.653 27.134 27.220 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -19.981 27.405 26.362 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -19.501 26.193 27.132 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -21.529 23.373 24.581 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -22.147 24.048 24.862 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -21.185 23.694 23.748 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -16.509 25.844 27.859 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -15.556 25.928 27.831 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -16.669 25.133 28.478 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -21.189 20.728 25.664 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -21.039 19.999 25.061 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -21.187 21.505 25.105 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -20.777 19.098 23.156 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -20.241 19.549 22.504 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -21.629 18.990 22.734 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -14.779 22.352 28.424 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -14.587 21.421 28.313 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -13.922 22.777 28.414 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -19.971 16.554 23.588 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -20.069 17.501 23.482 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -20.714 16.182 23.112 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -18.707 20.876 27.151 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -18.943 20.656 28.053 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -19.490 20.669 26.642 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -15.991 20.003 26.227 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -16.939 20.035 26.359 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -15.679 19.378 26.881 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -14.357 18.637 28.232 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -14.454 17.685 28.226 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -14.679 18.906 29.093 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -11.199 28.690 28.394 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -12.065 28.585 28.788 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -10.823 29.449 28.841 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -11.258 30.663 22.987 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -11.906 30.988 23.612 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -11.776 30.223 22.312 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -26.682 25.599 20.305 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -26.498 25.517 19.370 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -25.833 25.475 20.729 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -10.861 25.491 25.934 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -10.278 24.757 26.125 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -10.297 26.263 25.980 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -9.364 23.394 26.618 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -10.227 23.015 26.453 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -8.760 22.655 26.544 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -11.366 22.422 22.969 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -12.209 22.690 23.335 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -10.923 23.244 22.758 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -25.863 19.182 19.337 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -25.418 18.390 19.639 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -25.397 19.898 19.768 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -27.559 22.181 20.406 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -27.067 21.960 19.616 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -27.197 23.022 20.687 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -27.246 18.439 14.461 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -28.171 18.648 14.331 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -26.792 18.923 13.771 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -12.475 33.423 16.406 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -11.822 33.076 15.798 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -11.964 33.912 17.052 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -22.136 31.327 23.208 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -22.561 32.136 22.925 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -21.231 31.412 22.906 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -17.825 32.726 26.167 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -17.640 32.392 27.045 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -16.978 33.035 25.845 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -15.480 34.011 25.411 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -14.803 33.379 25.171 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -15.158 34.413 26.219 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -10.562 16.601 24.491 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -11.375 16.926 24.103 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -10.329 15.841 23.958 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -24.734 34.583 23.255 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -25.454 35.023 22.804 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -25.100 34.332 24.104 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -22.267 34.183 22.285 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -23.132 34.255 22.689 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -22.322 34.730 21.501 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -15.229 32.949 22.406 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -16.133 33.114 22.140 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -14.800 33.802 22.340 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -12.624 34.519 22.701 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -12.806 35.435 22.490 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -12.448 34.109 21.854 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -25.319 33.206 20.166 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -25.338 32.781 21.023 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -24.514 32.888 19.757 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -24.806 16.684 16.636 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -25.583 16.450 16.128 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -24.275 15.887 16.644 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -25.969 16.482 12.439 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -25.530 17.093 11.848 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -26.603 17.020 12.913 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -10.495 33.203 14.414 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -10.689 32.455 13.849 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -10.534 33.961 13.830 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -11.277 31.954 26.564 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -12.059 31.768 26.044 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -11.349 32.883 26.781 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -16.952 23.542 29.941 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -16.251 23.564 30.592 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -16.650 22.914 29.285 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -13.252 25.489 29.169 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -13.210 25.266 28.239 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -12.403 25.887 29.359 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -13.655 28.806 30.099 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -13.302 28.426 30.903 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -14.604 28.713 30.185 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -19.564 29.918 28.546 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -19.325 29.170 27.998 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -19.833 29.530 29.378 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -17.526 31.781 28.684 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -18.170 31.150 29.006 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -16.764 31.250 28.452 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -16.615 28.555 28.511 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -16.883 28.735 29.412 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -16.821 27.629 28.380 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -19.747 23.723 29.344 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -19.927 23.569 28.416 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -18.796 23.831 29.388 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -10.357 26.078 28.789 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -10.630 25.653 27.976 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -10.317 27.009 28.572 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -9.350 39.463 -33.052 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -10.039 40.121 -33.147 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -9.335 39.266 -32.115 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -23.299 37.797 -34.475 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -23.518 38.327 -35.241 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -23.967 38.024 -33.827 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -19.273 35.103 -37.022 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -19.390 34.154 -37.076 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -20.128 35.435 -36.749 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -11.479 46.978 -32.294 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -11.339 46.387 -33.033 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -11.311 47.851 -32.650 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -13.703 42.324 -32.502 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -13.623 43.087 -31.930 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -14.304 42.603 -33.193 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -22.004 36.006 -36.244 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -22.865 35.919 -36.652 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -22.026 36.862 -35.817 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -17.341 35.728 -32.870 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -16.921 35.313 -32.117 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -18.274 35.550 -32.753 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -14.015 39.484 -32.016 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -14.529 39.358 -31.219 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -14.170 40.396 -32.261 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -24.163 41.292 -33.282 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -24.201 41.692 -32.414 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -24.654 40.475 -33.192 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -16.112 42.693 -33.935 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -15.788 42.062 -34.578 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -16.552 42.158 -33.274 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -17.324 46.193 -31.928 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -17.670 45.812 -31.122 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -17.524 47.127 -31.857 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -26.711 43.765 -32.081 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -26.488 43.347 -31.249 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -27.313 43.152 -32.503 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -19.694 43.282 -29.868 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -19.990 43.116 -30.763 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -18.763 43.062 -29.878 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -9.379 46.700 -30.774 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -10.231 46.938 -31.141 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -8.789 46.683 -31.527 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -25.077 38.518 -32.523 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -25.970 38.857 -32.590 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -25.176 37.663 -32.105 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -16.342 38.259 -33.633 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -15.644 38.333 -32.983 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -16.723 37.395 -33.478 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -17.822 40.625 -32.516 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -17.703 41.199 -31.759 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -17.167 39.937 -32.401 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -11.618 38.532 -31.681 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -12.534 38.795 -31.769 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -11.282 38.529 -32.578 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -24.434 35.657 -37.226 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -24.663 35.716 -38.153 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -24.877 34.865 -36.919 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -15.041 49.509 -29.386 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -15.392 48.653 -29.143 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -14.315 49.652 -28.779 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -26.308 46.020 -28.781 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -26.164 45.118 -29.067 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -27.081 46.306 -29.269 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -19.653 45.990 -29.348 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -19.981 46.261 -30.206 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -19.501 45.049 -29.436 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -13.918 45.906 -31.965 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -13.173 46.494 -32.085 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -14.675 46.488 -31.902 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -25.476 43.220 -29.361 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -25.068 42.363 -29.482 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -25.736 43.235 -28.440 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -21.529 42.229 -31.987 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -22.147 42.904 -31.706 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -21.185 42.550 -32.820 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -21.189 39.584 -30.904 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -21.039 38.855 -31.507 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -21.187 40.361 -31.463 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -20.777 37.954 -33.412 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -20.241 38.405 -34.064 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -21.629 37.846 -33.834 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -19.195 43.393 -33.172 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -18.444 43.237 -33.745 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -19.534 44.245 -33.448 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -22.711 40.782 -28.993 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -23.478 40.250 -29.203 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -22.032 40.472 -29.592 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -19.971 35.410 -32.980 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -20.069 36.357 -33.086 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -20.714 35.038 -33.456 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -18.707 39.732 -29.417 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -18.943 39.512 -28.515 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -19.490 39.525 -29.926 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -15.991 38.859 -30.341 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -16.939 38.891 -30.209 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -15.679 38.234 -29.687 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -14.357 37.493 -28.336 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -14.454 36.541 -28.342 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -14.679 37.762 -27.475 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -24.530 38.703 -29.288 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -24.319 37.996 -29.899 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -24.642 38.265 -28.444 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -11.199 47.546 -28.174 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -12.065 47.441 -27.780 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -10.823 48.305 -27.727 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -10.861 44.347 -30.634 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -10.278 43.613 -30.443 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -10.297 45.119 -30.588 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -9.364 42.250 -29.950 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -10.227 41.871 -30.115 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -8.760 41.511 -30.024 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -11.366 41.278 -33.599 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -12.209 41.546 -33.233 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -10.923 42.100 -33.810 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -9.083 35.258 -28.245 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -8.733 34.604 -28.851 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -8.936 36.095 -28.685 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -25.863 38.038 -37.231 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -25.418 37.246 -36.929 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -25.397 38.754 -36.800 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -27.559 41.037 -36.162 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -27.067 40.816 -36.952 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -27.197 41.878 -35.881 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -9.563 37.367 -29.896 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -10.480 37.638 -29.932 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -9.440 36.832 -30.680 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -10.562 35.457 -32.077 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -11.375 35.782 -32.465 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -10.329 34.697 -32.610 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.727 44.696 -21.118 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -15.638 45.640 -21.250 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -16.366 44.421 -21.776 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -13.088 46.890 -19.397 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -13.529 46.170 -18.947 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -13.101 47.611 -18.767 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -23.502 48.016 -17.571 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -23.872 47.214 -17.940 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -22.561 47.847 -17.524 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -18.405 46.384 -17.293 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -18.101 45.698 -17.887 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -17.683 46.502 -16.675 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -9.742 37.985 -16.432 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -9.693 38.595 -15.696 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -9.316 38.446 -17.155 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -9.350 39.463 -14.196 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -10.039 40.121 -14.291 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -9.335 39.266 -13.259 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -15.930 47.297 -22.075 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -16.226 46.975 -22.926 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -16.254 48.197 -22.033 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -22.322 47.437 -14.544 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -22.328 48.316 -14.922 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -23.176 47.354 -14.119 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -12.276 37.016 -15.632 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -13.012 37.627 -15.670 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -11.592 37.431 -16.158 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -13.165 48.412 -21.915 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -13.422 47.722 -22.527 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -13.094 47.969 -21.070 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -9.637 43.318 -15.372 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -10.289 44.013 -15.283 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -9.172 43.528 -16.182 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -13.703 42.324 -13.646 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -13.623 43.087 -13.074 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -14.304 42.603 -14.337 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -20.588 48.208 -18.150 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -20.683 47.630 -18.907 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -19.859 47.837 -17.654 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -20.708 47.948 -12.481 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -21.020 48.730 -12.025 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -21.358 47.795 -13.167 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -22.469 50.020 -11.717 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -22.461 49.884 -12.665 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -23.385 49.902 -11.465 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -11.031 35.062 -25.216 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -11.930 35.201 -24.921 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -10.779 35.893 -25.618 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -9.841 49.428 -26.839 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -9.768 50.367 -26.669 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -8.936 49.123 -26.896 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -26.872 46.213 -14.427 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -27.373 46.185 -15.242 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -26.866 45.307 -14.117 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -27.121 48.993 -17.543 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -26.175 48.849 -17.562 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -27.234 49.777 -17.006 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -17.945 49.233 -12.985 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -17.858 50.059 -12.510 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -18.809 48.903 -12.736 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -23.877 51.794 -21.398 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -23.725 51.446 -20.519 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -24.728 51.438 -21.653 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -11.772 41.152 -11.381 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -12.179 41.633 -12.101 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -11.731 40.247 -11.688 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -24.623 47.536 -13.384 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -24.406 47.175 -12.524 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -25.478 47.162 -13.594 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -14.015 39.484 -13.160 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -14.529 39.358 -12.363 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -14.170 40.396 -13.405 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -27.555 38.408 -20.576 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -26.924 38.379 -19.856 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -27.105 37.983 -21.306 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -18.844 46.009 -24.309 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -19.588 45.502 -24.632 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -18.978 46.058 -23.363 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -16.718 47.468 -25.284 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -17.013 48.294 -24.902 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -17.421 46.848 -25.088 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -26.711 43.765 -13.225 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -26.488 43.347 -12.393 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -27.313 43.152 -13.647 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -15.074 48.655 -13.122 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -15.975 48.838 -13.390 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -15.040 48.914 -12.201 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -9.343 40.900 -24.755 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -9.897 40.504 -25.427 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -9.242 41.810 -25.032 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -11.047 49.686 -24.290 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -11.420 48.860 -23.980 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -10.770 49.503 -25.187 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -13.887 44.494 -17.268 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -14.815 44.262 -17.295 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -13.436 43.717 -17.598 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -21.344 48.822 -21.135 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -20.817 49.595 -21.336 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -22.224 49.047 -21.437 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -25.589 43.684 -26.548 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -24.973 44.311 -26.169 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -26.451 44.000 -26.277 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -19.917 46.485 -21.559 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -20.158 47.410 -21.517 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -20.657 46.026 -21.163 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -19.402 50.634 -15.244 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -19.039 51.489 -15.477 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -18.870 50.342 -14.503 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -15.858 46.733 -15.543 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -16.284 46.506 -14.717 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -15.277 45.995 -15.726 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -13.655 47.662 -26.469 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -13.302 47.282 -25.665 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -14.604 47.569 -26.383 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -12.789 46.335 -24.243 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -13.066 45.607 -23.687 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -11.862 46.454 -24.037 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -25.426 50.323 -15.232 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -25.209 49.391 -15.263 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -25.179 50.597 -14.348 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -20.627 48.344 -25.566 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -20.480 47.824 -24.776 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.630 49.251 -25.260 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -11.618 38.532 -12.825 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -12.534 38.795 -12.913 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -11.282 38.529 -13.722 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -13.016 42.283 -18.729 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -13.813 41.868 -19.058 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -12.571 41.592 -18.238 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -23.558 48.211 -26.159 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -22.966 48.910 -25.883 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -23.099 47.778 -26.878 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -25.242 40.875 -27.043 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -25.287 41.814 -26.864 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -26.130 40.639 -27.313 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -24.434 35.657 -18.370 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -24.663 35.716 -19.297 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -24.877 34.865 -18.063 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -25.504 49.597 -22.209 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -26.336 50.070 -22.182 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -24.958 50.107 -22.808 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -21.618 51.129 -9.259 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -20.850 50.670 -8.918 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -21.639 50.903 -10.189 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -15.041 49.509 -10.530 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -15.392 48.653 -10.287 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -14.315 49.652 -9.923 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -12.922 50.454 -27.650 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -12.639 49.660 -27.197 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -12.182 50.687 -28.211 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -26.308 46.020 -9.925 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -26.164 45.118 -10.211 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -27.081 46.306 -10.413 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -21.967 46.364 -27.793 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -21.903 45.570 -27.262 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -21.314 46.245 -28.482 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -16.615 47.411 -28.057 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -16.883 47.591 -27.156 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -16.821 46.485 -28.188 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -13.918 45.906 -13.109 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -13.173 46.494 -13.229 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -14.675 46.488 -13.046 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -20.818 44.336 -25.487 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -21.277 43.852 -24.801 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -20.563 43.668 -26.123 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -19.747 42.579 -27.224 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -19.927 42.425 -28.152 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -18.796 42.687 -27.180 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -10.357 44.934 -27.779 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -10.630 44.509 -28.592 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -10.317 45.865 -27.996 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -13.463 43.997 -11.210 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -13.744 44.706 -11.788 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -12.520 43.924 -11.361 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -26.281 47.906 -26.740 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -25.367 47.985 -26.467 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -26.274 47.219 -27.407 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -26.762 51.380 -19.858 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -27.096 50.499 -19.686 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -26.540 51.725 -18.994 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -11.199 47.546 -9.318 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -12.065 47.441 -8.924 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -10.823 48.305 -8.871 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -9.898 45.803 -23.804 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -9.048 46.224 -23.676 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -9.893 45.063 -23.196 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -9.504 43.856 -21.980 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -10.230 43.377 -21.582 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -8.923 44.062 -21.248 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -9.236 43.757 -25.589 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -9.757 44.114 -26.308 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -9.269 44.432 -24.911 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -11.717 42.377 -21.417 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -11.867 41.432 -21.437 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -12.071 42.658 -20.573 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -10.861 44.347 -11.778 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -10.278 43.613 -11.587 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -10.297 45.119 -11.732 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -9.364 42.250 -11.094 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -10.227 41.871 -11.259 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -8.760 41.511 -11.168 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -11.639 38.405 -27.921 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -11.029 38.033 -27.284 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -12.476 37.983 -27.725 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -12.007 39.960 -22.955 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -11.727 39.053 -22.830 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -11.248 40.394 -23.344 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -11.366 41.278 -14.743 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -12.209 41.546 -14.377 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -10.923 42.100 -14.954 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -9.083 35.258 -9.389 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -8.733 34.604 -9.995 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -8.936 36.095 -9.829 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -11.393 37.223 -22.906 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -11.211 36.774 -22.081 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -11.993 36.638 -23.370 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -9.527 37.290 -26.378 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -9.114 36.569 -26.854 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -8.845 37.960 -26.320 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -25.090 49.208 -10.763 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -25.911 49.383 -11.223 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -25.342 49.135 -9.842 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -22.136 50.183 -14.504 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -22.561 50.992 -14.787 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -21.231 50.268 -14.806 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -10.562 35.457 -13.221 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -11.375 35.782 -13.609 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -10.329 34.697 -13.754 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -25.319 52.062 -17.546 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -25.338 51.637 -16.689 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -24.514 51.744 -17.955 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -23.178 50.772 -18.891 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -23.397 49.856 -18.722 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -22.354 50.912 -18.425 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -10.263 36.152 -20.452 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -9.651 35.638 -20.979 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -9.880 37.030 -20.429 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -26.068 51.286 -24.375 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -26.753 51.248 -25.043 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -26.065 52.199 -24.087 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -15.727 44.696 -2.262 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -15.638 45.640 -2.394 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -16.366 44.421 -2.920 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -16.794 43.951 1.157 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -16.832 43.305 1.862 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -17.117 43.485 0.386 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -23.502 48.016 1.285 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -23.872 47.214 0.916 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -22.561 47.847 1.332 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -26.892 41.676 -3.322 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -27.340 42.522 -3.340 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -27.453 41.096 -3.837 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -18.405 46.384 1.563 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -18.101 45.698 0.969 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -17.683 46.502 2.181 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -15.264 40.778 1.891 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -15.121 39.831 1.911 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -15.370 40.985 0.962 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -23.299 37.797 3.237 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -23.518 38.327 2.471 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -23.967 38.024 3.885 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -15.930 47.297 -3.219 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -16.226 46.975 -4.070 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -16.254 48.197 -3.177 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -20.730 45.473 3.525 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -21.470 46.071 3.628 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -20.016 46.027 3.209 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -22.322 47.437 4.312 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -22.328 48.316 3.934 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -23.176 47.354 4.737 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -26.201 47.108 -4.906 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -26.473 47.337 -5.795 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -26.156 47.946 -4.446 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -13.165 48.412 -3.059 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -13.422 47.722 -3.671 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -13.094 47.969 -2.214 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -9.637 43.318 3.484 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -10.289 44.013 3.573 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -9.172 43.528 2.674 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -13.600 44.150 -3.858 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -14.332 44.378 -3.285 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -13.153 43.436 -3.403 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -13.703 42.324 5.210 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -13.623 43.087 5.782 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -14.304 42.603 4.519 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -20.588 48.208 0.706 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -20.683 47.630 -0.051 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -19.859 47.837 1.202 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -23.788 44.146 5.604 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -23.718 44.797 6.302 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -24.679 44.249 5.269 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -17.003 50.049 -2.738 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -16.529 50.344 -1.960 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -17.566 50.787 -2.971 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -11.031 35.062 -6.360 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -11.930 35.201 -6.065 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -10.779 35.893 -6.762 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -26.872 46.213 4.429 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -27.373 46.185 3.614 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -26.866 45.307 4.739 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -11.772 41.152 7.475 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -12.179 41.633 6.755 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -11.731 40.247 7.168 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -24.623 47.536 5.472 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -24.406 47.175 6.332 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -25.478 47.162 5.262 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -14.015 39.484 5.696 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -14.529 39.358 6.493 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -14.170 40.396 5.451 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -17.278 41.784 7.780 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -17.841 41.080 8.100 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -16.452 41.664 8.247 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -15.376 41.055 -0.894 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -15.571 41.660 -1.609 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -15.194 40.221 -1.329 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -24.163 41.292 4.430 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -24.201 41.692 5.298 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -24.654 40.475 4.520 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -27.555 38.408 -1.720 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -26.924 38.379 -1.000 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -27.105 37.983 -2.450 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -16.112 42.693 3.777 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -15.788 42.062 3.134 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -16.552 42.158 4.438 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -18.014 41.408 0.448 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -17.450 40.861 -0.099 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -18.162 40.886 1.237 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -19.388 39.796 2.862 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -20.223 40.250 2.972 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -18.864 40.072 3.614 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -26.711 43.765 5.631 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -26.488 43.347 6.463 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -27.313 43.152 5.209 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -19.694 43.282 7.844 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -19.990 43.116 6.949 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -18.763 43.062 7.834 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -9.343 40.900 -5.899 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -9.897 40.504 -6.571 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -9.242 41.810 -6.176 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -21.344 48.822 -2.279 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -20.817 49.595 -2.480 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -22.224 49.047 -2.581 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -19.917 46.485 -2.703 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -20.158 47.410 -2.661 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -20.657 46.026 -2.307 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -13.655 47.662 -7.613 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -13.302 47.282 -6.809 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -14.604 47.569 -7.527 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -25.077 38.518 5.189 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -25.970 38.857 5.122 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -25.176 37.663 5.607 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -12.789 46.335 -5.387 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -13.066 45.607 -4.831 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -11.862 46.454 -5.181 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -19.564 48.774 -9.166 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -19.325 48.026 -9.714 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -19.833 48.386 -8.334 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -20.627 48.344 -6.710 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -20.480 47.824 -5.920 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -20.630 49.251 -6.404 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -24.174 45.597 -6.200 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -24.860 45.949 -5.633 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -23.651 46.360 -6.446 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -16.342 38.259 4.079 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -15.644 38.333 4.729 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -16.723 37.395 4.234 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -17.889 50.042 -5.961 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -18.706 50.539 -5.908 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -17.360 50.517 -6.601 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -17.822 40.625 5.196 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -17.703 41.199 5.953 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -17.167 39.937 5.311 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -20.551 51.085 -5.979 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -20.390 51.885 -6.480 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -20.748 51.392 -5.094 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -13.016 42.283 0.127 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -13.813 41.868 -0.202 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -12.571 41.592 0.618 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -23.558 48.211 -7.303 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -22.966 48.910 -7.027 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -23.099 47.778 -8.022 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -17.526 50.637 -9.028 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -18.170 50.006 -8.706 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -16.764 50.106 -9.260 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -25.476 43.220 8.351 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -25.068 42.363 8.230 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -25.736 43.235 9.272 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -21.529 42.229 5.725 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -22.147 42.904 6.006 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -21.185 42.550 4.892 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -10.357 44.934 -8.923 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -10.630 44.509 -9.736 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -10.317 45.865 -9.140 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -21.189 39.584 6.808 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -21.039 38.855 6.205 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -21.187 40.361 6.249 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -20.777 37.954 4.300 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -20.241 38.405 3.648 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -21.629 37.846 3.878 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -19.195 43.393 4.540 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -18.444 43.237 3.967 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -19.534 44.245 4.264 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -14.779 41.208 9.568 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -14.587 40.277 9.457 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -13.922 41.633 9.558 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -22.711 40.782 8.719 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -23.478 40.250 8.509 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -22.032 40.472 8.120 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -18.707 39.732 8.295 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -18.943 39.512 9.197 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -19.490 39.525 7.786 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -15.991 38.859 7.371 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -16.939 38.891 7.503 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -15.679 38.234 8.025 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -26.281 47.906 -7.884 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -25.367 47.985 -7.611 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -26.274 47.219 -8.551 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -9.236 43.757 -6.733 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -9.757 44.114 -7.452 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -9.269 44.432 -6.055 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -10.887 40.997 -8.182 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -10.790 41.664 -8.862 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -11.027 40.181 -8.664 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -11.717 42.377 -2.561 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -11.867 41.432 -2.581 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -12.071 42.658 -1.717 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -26.682 44.455 1.449 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -26.498 44.373 0.514 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -25.833 44.331 1.873 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -9.364 42.250 7.762 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -10.227 41.871 7.597 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -8.760 41.511 7.688 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -11.639 38.405 -9.065 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -11.029 38.033 -8.428 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -12.476 37.983 -8.869 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -12.007 39.960 -4.099 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -11.727 39.053 -3.974 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -11.248 40.394 -4.488 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -11.395 40.541 1.337 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -10.462 40.753 1.303 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -11.630 40.643 2.260 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -11.366 41.278 4.113 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -12.209 41.546 4.479 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -10.923 42.100 3.902 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -27.084 39.726 7.590 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -26.165 39.604 7.826 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -27.534 38.976 7.979 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -9.083 35.258 9.467 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -8.733 34.604 8.861 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -8.936 36.095 9.027 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -11.393 37.223 -4.050 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -11.211 36.774 -3.225 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -11.993 36.638 -4.514 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -25.863 38.038 0.481 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -25.418 37.246 0.783 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -25.397 38.754 0.912 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -27.559 41.037 1.550 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -27.067 40.816 0.760 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -27.197 41.878 1.831 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -9.563 37.367 7.816 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -10.480 37.638 7.780 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -9.440 36.832 7.032 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -9.527 37.290 -7.522 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -9.114 36.569 -7.998 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -8.845 37.960 -7.464 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -26.892 41.676 15.534 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -27.340 42.522 15.516 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -27.453 41.096 15.019 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -15.264 40.778 20.747 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -15.121 39.831 20.767 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -15.370 40.985 19.818 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -22.109 38.879 18.019 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -22.066 39.739 17.601 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -22.567 38.327 17.386 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -14.387 39.010 16.420 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -13.741 38.681 17.045 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -13.877 39.528 15.797 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -25.489 41.276 18.781 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -24.835 40.726 19.213 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -25.465 41.002 17.865 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -20.333 42.826 17.997 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -19.717 42.300 18.506 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -20.919 42.186 17.593 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -23.299 37.797 22.093 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -23.518 38.327 21.327 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -23.967 38.024 22.741 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -12.623 38.301 18.401 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -12.838 37.535 18.933 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -11.967 38.773 18.914 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -23.705 39.689 20.046 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -23.092 40.322 20.419 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -23.193 39.217 19.389 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -12.276 37.016 22.080 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -13.012 37.627 22.042 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -11.592 37.431 21.554 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -11.031 35.062 12.496 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -11.930 35.201 12.791 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -10.779 35.893 12.094 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -22.965 43.850 14.470 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -23.257 44.618 13.979 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -23.639 43.190 14.307 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -17.341 35.728 23.698 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -16.921 35.313 24.451 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -18.274 35.550 23.815 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -17.679 38.221 10.983 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -17.933 38.240 11.906 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -17.936 37.349 10.682 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -21.913 40.972 21.419 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -22.555 40.931 22.128 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -21.876 41.898 21.181 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -21.916 41.193 16.331 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -22.809 40.852 16.272 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -21.465 40.816 15.575 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -16.380 41.609 15.148 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -16.789 42.424 14.856 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -15.660 41.469 14.533 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -15.376 41.055 17.962 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -15.571 41.660 17.247 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -15.194 40.221 17.527 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -27.555 38.408 17.136 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -26.924 38.379 17.856 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -27.105 37.983 16.406 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -24.506 40.249 16.244 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -25.395 40.349 15.904 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -24.210 39.407 15.898 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -20.853 40.249 13.900 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -19.921 40.378 14.078 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.068 40.919 13.251 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -14.929 37.855 20.681 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -15.606 37.986 21.345 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -15.415 37.700 19.871 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -22.179 41.444 11.467 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -22.721 41.064 10.776 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -21.345 41.638 11.038 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -18.014 41.408 19.304 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -17.450 40.861 18.757 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -18.162 40.886 20.093 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -19.388 39.796 21.718 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -20.223 40.250 21.828 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -18.864 40.072 22.470 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -14.946 38.823 11.602 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -15.884 38.935 11.451 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -14.649 39.680 11.908 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -25.589 43.684 11.164 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -24.973 44.311 11.543 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -26.451 44.000 11.435 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -16.342 38.259 22.935 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -15.644 38.333 23.585 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -16.723 37.395 23.090 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -15.558 37.911 14.032 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -15.338 38.383 13.229 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -15.000 38.306 14.703 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -18.358 39.639 14.867 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -17.546 40.143 14.913 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -18.603 39.494 15.781 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -17.822 40.625 24.052 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -17.703 41.199 24.809 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -17.167 39.937 24.167 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -25.242 40.875 10.669 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -25.287 41.814 10.848 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -26.130 40.639 10.399 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -24.434 35.657 19.342 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -24.663 35.716 18.415 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -24.877 34.865 19.649 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -19.747 42.579 10.488 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -19.927 42.425 9.560 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -18.796 42.687 10.532 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -20.777 37.954 23.156 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -20.241 38.405 22.504 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -21.629 37.846 22.734 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -19.971 35.410 23.588 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -20.069 36.357 23.482 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -20.714 35.038 23.112 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -19.749 34.704 26.259 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -19.037 34.064 26.245 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -19.850 34.971 25.345 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -10.887 40.997 10.674 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -10.790 41.664 9.994 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -11.027 40.181 10.192 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -11.639 38.405 9.791 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -11.029 38.033 10.428 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -12.476 37.983 9.987 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -11.393 37.223 14.806 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -11.211 36.774 15.631 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -11.993 36.638 14.342 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -25.863 38.038 19.337 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -25.418 37.246 19.639 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -25.397 38.754 19.768 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -9.527 37.290 11.334 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -9.114 36.569 10.858 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -8.845 37.960 11.392 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -27.282 36.033 22.805 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -27.947 35.787 23.448 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -27.725 36.655 22.228 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -11.990 35.013 18.926 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -11.386 35.561 18.425 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -12.859 35.333 18.686 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -10.263 36.152 17.260 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -9.651 35.638 16.733 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -9.880 37.030 17.283 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -13.316 35.523 13.791 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -14.019 36.137 13.581 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -13.761 34.685 13.922 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 5.768 9.178 -19.397 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 5.327 8.458 -18.947 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 5.755 9.899 -18.767 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -4.646 10.304 -17.571 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -5.016 9.502 -17.940 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -3.705 10.135 -17.524 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 0.451 8.672 -17.293 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 0.755 7.986 -17.887 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 1.173 8.790 -16.675 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 2.926 9.585 -22.075 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 2.630 9.263 -22.926 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 2.602 10.485 -22.033 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -1.874 7.761 -15.331 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -2.614 8.359 -15.228 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -1.160 8.315 -15.647 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -3.466 9.725 -14.544 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -3.472 10.604 -14.922 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -4.320 9.642 -14.119 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 6.280 11.018 -17.049 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 5.338 11.076 -16.888 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 6.556 11.924 -17.186 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 4.532 12.799 -20.424 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 4.957 12.092 -20.909 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 4.849 13.600 -20.841 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 5.691 10.700 -21.915 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 5.434 10.010 -22.527 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 5.762 10.257 -21.070 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 7.377 9.266 -13.438 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 7.517 8.675 -14.177 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 7.545 10.139 -13.794 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -1.732 10.496 -18.150 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -1.827 9.918 -18.907 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -1.003 10.125 -17.654 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 3.577 11.340 -16.464 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 3.336 12.002 -15.816 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 3.379 10.506 -16.039 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -1.852 10.236 -12.481 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -2.164 11.018 -12.025 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -2.502 10.083 -13.167 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -4.932 6.434 -13.252 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -4.862 7.085 -12.554 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -5.823 6.537 -13.587 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -8.016 8.501 -14.427 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -8.517 8.473 -15.242 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -8.010 7.595 -14.117 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 9.932 11.947 -11.861 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 9.883 10.992 -11.898 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 9.106 12.215 -11.459 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 1.325 15.293 -23.179 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 1.250 15.172 -24.125 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 1.358 16.243 -23.060 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -5.021 14.082 -21.398 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -4.869 13.734 -20.519 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -5.872 13.726 -21.653 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 4.096 14.373 -23.427 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 3.161 14.473 -23.248 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 4.376 13.664 -22.849 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -5.767 9.824 -13.384 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -5.550 9.463 -12.524 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -6.622 9.450 -13.594 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 7.214 15.815 -10.754 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 7.414 16.239 -11.589 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 7.870 16.158 -10.147 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -5.188 8.289 -11.146 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -4.455 8.543 -10.585 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -5.968 8.493 -10.631 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 1.532 8.481 -13.072 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 1.186 8.100 -12.266 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 1.332 9.415 -13.001 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -0.838 5.570 -11.012 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -1.134 5.404 -11.907 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 0.093 5.350 -11.022 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 3.782 10.943 -13.122 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 2.881 11.126 -13.390 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 3.816 11.202 -12.201 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 9.477 8.988 -11.918 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 8.625 9.226 -12.285 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 10.067 8.971 -12.671 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -2.488 11.110 -21.135 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -1.961 11.883 -21.336 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -3.368 11.335 -21.437 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -1.061 8.773 -21.559 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -1.302 9.698 -21.517 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -1.801 8.314 -21.163 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -2.377 13.795 -22.014 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -3.327 13.900 -21.962 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -2.026 14.615 -21.669 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 2.998 9.021 -15.543 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 2.572 8.794 -14.717 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 3.579 8.283 -15.726 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -6.570 12.611 -15.232 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -6.353 11.679 -15.263 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -6.323 12.885 -14.348 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 0.967 12.330 -24.817 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 0.150 12.827 -24.764 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 1.496 12.805 -25.457 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -1.695 13.373 -24.835 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -1.534 14.173 -25.336 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -1.892 13.680 -23.950 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 6.927 13.827 -17.107 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 6.771 14.505 -17.764 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 7.859 13.899 -16.904 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -7.452 8.308 -9.925 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -7.308 7.406 -10.211 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -8.225 8.594 -10.413 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -0.797 8.278 -10.492 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -1.125 8.549 -11.350 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -0.645 7.337 -10.580 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 4.938 8.194 -13.109 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 5.683 8.782 -13.229 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 4.181 8.776 -13.046 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -6.620 5.508 -10.505 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -6.212 4.651 -10.626 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -6.880 5.523 -9.584 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 2.347 6.988 -9.853 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 3.300 7.072 -9.881 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 2.187 6.277 -9.234 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 5.393 6.285 -11.210 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 5.112 6.994 -11.788 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 6.336 6.212 -11.361 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 9.643 14.477 -16.878 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 9.621 14.662 -15.939 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 10.333 15.046 -17.219 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 9.206 14.044 -13.956 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 8.719 13.309 -14.327 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 9.755 13.651 -13.278 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 7.657 9.834 -9.318 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 6.791 9.729 -8.924 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 8.033 10.593 -8.871 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 7.598 11.807 -14.725 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 6.950 12.132 -14.100 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 7.080 11.367 -15.400 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 7.995 6.635 -11.778 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 8.578 5.901 -11.587 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 8.559 7.407 -11.732 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 6.381 14.567 -21.306 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 7.034 14.220 -21.914 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 6.892 15.056 -20.660 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -3.280 12.471 -14.504 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -3.705 13.280 -14.787 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -2.375 12.556 -14.806 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -5.878 15.727 -14.457 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -6.598 16.167 -14.908 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -6.244 15.476 -13.608 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.463 14.350 -17.546 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -6.482 13.925 -16.689 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -5.658 14.032 -17.955 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -4.322 13.060 -18.891 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -4.541 12.144 -18.722 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -3.498 13.200 -18.425 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 1.652 14.784 -25.978 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 2.518 15.150 -26.156 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 1.405 14.344 -26.791 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 7.579 13.098 -11.148 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 6.797 12.912 -11.668 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 7.507 14.027 -10.931 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 3.129 6.984 -2.262 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 3.218 7.928 -2.394 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 2.490 6.709 -2.920 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 2.062 6.239 1.157 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 2.024 5.593 1.862 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 1.739 5.773 0.386 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -5.570 5.854 2.750 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -5.528 5.228 3.474 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -4.867 6.477 2.932 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 5.768 9.178 -0.541 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 5.327 8.458 -0.091 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 5.755 9.899 0.089 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -8.036 3.964 -3.322 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -8.484 4.810 -3.340 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -8.597 3.384 -3.837 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -3.253 1.167 -0.837 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -3.210 2.027 -1.255 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -3.711 0.615 -1.470 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -6.633 3.564 -0.075 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -5.979 3.014 0.357 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -6.609 3.290 -0.991 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -1.477 5.114 -0.859 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.861 4.588 -0.350 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -2.063 4.474 -1.263 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 2.926 9.585 -3.219 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 2.630 9.263 -4.070 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 2.602 10.485 -3.177 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -1.874 7.761 3.525 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -2.614 8.359 3.628 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -1.160 8.315 3.209 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -4.849 1.977 1.190 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -4.236 2.610 1.563 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -4.337 1.505 0.533 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.345 9.396 -4.906 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -7.617 9.625 -5.795 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.300 10.234 -4.446 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 6.280 11.018 1.807 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 5.338 11.076 1.968 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 6.556 11.924 1.670 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 5.691 10.700 -3.059 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 5.434 10.010 -3.671 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 5.762 10.257 -2.214 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 1.850 6.228 -4.810 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 1.138 6.763 -5.161 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 2.541 6.284 -5.470 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 1.904 4.686 -7.771 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 2.605 4.708 -7.120 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 2.206 4.058 -8.427 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 5.256 6.438 -3.858 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 4.524 6.666 -3.285 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 5.703 5.724 -3.403 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -2.732 5.837 1.658 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -2.167 5.958 0.895 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -2.413 6.474 2.297 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 3.577 11.340 2.392 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 3.336 12.002 3.040 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 3.379 10.506 2.817 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 4.127 5.600 -6.173 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 4.706 5.750 -5.426 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 4.541 6.071 -6.896 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -4.932 6.434 5.604 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -4.862 7.085 6.302 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -5.823 6.537 5.269 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -4.109 6.138 -4.386 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -4.401 6.906 -4.877 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -4.783 5.478 -4.549 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 9.015 11.716 -7.983 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 9.088 12.655 -7.813 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 9.920 11.411 -8.040 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 0.911 11.521 5.871 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 0.998 12.347 6.346 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 0.047 11.191 6.120 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 5.604 6.633 -8.543 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 5.646 6.410 -9.473 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 6.453 7.031 -8.353 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -3.057 3.260 2.563 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -3.699 3.219 3.272 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -3.020 4.186 2.325 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -3.060 3.481 -2.525 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -3.953 3.140 -2.584 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -2.609 3.104 -3.281 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.307 3.580 4.430 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.345 3.980 5.298 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -5.798 2.763 4.520 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -5.650 2.537 -2.612 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -6.539 2.637 -2.952 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -5.354 1.695 -2.958 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -1.997 2.537 -4.956 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -1.065 2.666 -4.778 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.212 3.207 -5.605 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -5.188 8.289 7.710 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -4.455 8.543 8.271 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -5.968 8.493 8.225 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 0.842 3.696 0.448 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 1.406 3.149 -0.099 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 0.694 3.174 1.237 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 0.012 8.297 -5.453 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -0.732 7.790 -5.776 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -0.122 8.346 -4.507 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 1.532 8.481 5.784 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 1.186 8.100 6.590 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 1.332 9.415 5.855 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -7.855 6.053 5.631 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -7.632 5.635 6.463 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -8.457 5.440 5.209 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -0.838 5.570 7.844 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -1.134 5.404 6.949 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 0.093 5.350 7.834 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 3.782 10.943 5.734 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 2.881 11.126 5.466 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 3.816 11.202 6.655 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 7.809 11.974 -5.434 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 7.436 11.148 -5.124 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 8.086 11.791 -6.331 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 4.969 6.782 1.588 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 4.041 6.550 1.561 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 5.420 6.005 1.258 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -6.733 5.972 -7.692 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.117 6.599 -7.313 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -7.595 6.288 -7.421 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 2.998 9.021 3.313 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 2.572 8.794 4.139 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 3.579 8.283 3.130 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 5.657 13.573 5.782 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 5.055 13.018 5.287 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 5.938 14.240 5.156 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 9.705 14.430 -7.412 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 10.448 15.016 -7.552 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 9.010 14.998 -7.079 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 6.067 8.623 -5.387 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 5.790 7.895 -4.831 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 6.994 8.742 -5.181 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -5.318 7.885 -6.200 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -6.004 8.237 -5.633 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -4.795 8.648 -6.446 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 6.927 13.827 1.749 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 6.771 14.505 1.092 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 7.859 13.899 1.952 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 3.815 11.797 8.326 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 3.464 10.941 8.569 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 4.541 11.940 8.933 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -0.797 8.278 8.364 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -1.125 8.549 7.506 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -0.645 7.337 8.276 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -6.620 5.508 8.351 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -6.212 4.651 8.230 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -6.880 5.523 9.272 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -1.962 6.624 -6.631 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -2.421 6.140 -5.945 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -1.707 5.956 -7.267 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -2.673 4.517 5.725 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -3.291 5.192 6.006 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -2.329 4.838 4.892 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -0.891 4.867 -8.368 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -1.071 4.713 -9.296 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 0.060 4.975 -8.324 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 8.499 7.222 -8.923 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 8.226 6.797 -9.736 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 8.539 8.153 -9.140 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -0.339 5.681 4.540 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 0.412 5.525 3.967 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -0.678 6.533 4.264 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -3.855 3.070 8.719 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.622 2.538 8.509 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -3.176 2.760 8.120 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 8.958 8.091 -4.948 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 9.808 8.512 -4.820 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 8.963 7.351 -4.340 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -8.228 2.014 7.590 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -7.309 1.892 7.826 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -8.678 1.264 7.979 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -8.703 3.325 1.550 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -8.211 3.104 0.760 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -8.341 4.166 1.831 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 1.031 13.870 7.311 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 1.216 13.536 8.189 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 1.878 14.179 6.989 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 3.376 15.155 6.555 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 4.053 14.523 6.315 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 3.698 15.557 7.363 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 3.627 14.093 3.550 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 2.723 14.258 3.284 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 4.056 14.946 3.484 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 6.232 15.663 3.845 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 6.050 16.579 3.634 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 6.408 15.253 2.998 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 8.361 14.347 -4.442 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 8.167 13.599 -5.007 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 8.322 15.105 -5.026 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -8.036 3.964 15.534 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -8.484 4.810 15.516 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -8.597 3.384 15.019 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -7.326 6.126 17.660 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -7.112 5.356 18.187 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.588 6.215 17.057 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -3.099 7.068 16.881 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -3.429 6.698 16.062 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -2.511 6.398 17.227 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -4.109 6.138 14.470 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -4.401 6.906 13.979 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -4.783 5.478 14.307 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -8.016 8.501 23.285 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -8.517 8.473 22.470 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -8.010 7.595 23.595 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -8.265 11.281 20.169 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -7.319 11.137 20.150 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -8.378 12.065 20.706 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 1.325 15.293 14.533 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 1.250 15.172 13.587 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 1.358 16.243 14.652 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 4.427 14.447 11.536 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 4.802 13.703 11.065 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 4.431 14.177 12.454 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -7.424 1.442 12.560 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -6.950 2.033 11.975 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -8.142 1.973 12.907 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -5.650 2.537 16.244 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -6.539 2.637 15.904 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -5.354 1.695 15.898 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -3.323 3.732 11.467 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -3.865 3.352 10.776 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -2.489 3.926 11.038 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 2.138 9.756 12.428 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 1.843 10.582 12.810 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 1.435 9.136 12.624 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -2.488 11.110 16.577 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -1.961 11.883 16.376 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.368 11.335 16.275 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -2.377 13.795 15.698 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -3.327 13.900 15.750 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -2.026 14.615 16.043 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -6.570 12.611 22.480 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -6.353 11.679 22.449 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -6.323 12.885 23.364 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -0.708 11.062 9.690 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -0.469 10.314 9.142 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -0.977 10.674 10.522 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -1.771 10.632 12.146 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -1.624 10.112 12.936 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -1.774 11.539 12.452 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 0.967 12.330 12.895 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 0.150 12.827 12.948 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 1.496 12.805 12.255 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -1.695 13.373 12.877 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -1.534 14.173 12.376 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -1.892 13.680 13.762 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.386 3.163 10.669 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -6.431 4.102 10.848 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -7.274 2.927 10.399 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 1.330 12.925 9.828 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 0.686 12.294 10.150 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 2.092 12.394 9.596 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -3.111 8.652 9.919 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -3.047 7.858 10.450 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -2.458 8.533 9.230 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 2.241 9.699 9.655 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 1.973 9.879 10.556 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 2.035 8.773 9.524 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -1.962 6.624 12.225 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -2.421 6.140 12.911 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -1.707 5.956 11.589 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -5.878 15.727 23.255 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -6.598 16.167 22.804 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -6.244 15.476 24.104 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -6.463 14.350 20.166 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -6.482 13.925 21.023 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -5.658 14.032 19.757 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -4.322 13.060 18.821 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -4.541 12.144 18.990 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -3.498 13.200 19.287 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 1.652 14.784 11.734 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 2.518 15.150 11.556 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 1.405 14.344 10.921 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -7.359 33.354 -29.735 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -6.819 33.137 -28.976 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -7.840 32.548 -29.925 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 3.129 25.840 -21.118 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 3.218 26.784 -21.250 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 2.490 25.565 -21.776 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 2.062 25.095 -17.699 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 2.024 24.449 -16.994 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 1.739 24.629 -18.470 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -5.570 24.710 -16.106 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -5.528 24.084 -15.382 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -4.867 25.333 -15.924 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 5.768 28.034 -19.397 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 5.327 27.314 -18.947 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 5.755 28.755 -18.767 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 0.451 27.528 -17.293 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 0.755 26.842 -17.887 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 1.173 27.646 -16.675 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 9.114 19.129 -16.432 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 9.163 19.739 -15.696 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 9.540 19.590 -17.155 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -3.253 20.023 -19.693 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -3.210 20.883 -20.111 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -3.711 19.471 -20.326 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 4.469 20.154 -21.292 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 5.115 19.825 -20.667 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 4.979 20.672 -21.915 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -1.477 23.970 -19.715 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -0.861 23.444 -19.206 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -2.063 23.330 -20.119 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 9.506 20.607 -14.196 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 8.817 21.265 -14.291 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 9.521 20.410 -13.259 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -4.443 18.941 -15.619 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -4.662 19.471 -16.385 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -5.111 19.168 -14.971 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -1.874 26.617 -15.331 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -2.614 27.215 -15.228 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -1.160 27.171 -15.647 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 6.233 19.445 -19.311 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 6.018 18.679 -18.779 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 6.889 19.917 -18.798 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -4.849 20.833 -17.666 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -4.236 21.466 -17.293 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -4.337 20.361 -18.323 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -3.466 28.581 -14.544 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -3.472 29.460 -14.922 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -4.320 28.498 -14.119 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 6.280 29.874 -17.049 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 5.338 29.932 -16.888 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 6.556 30.780 -17.186 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 5.256 25.294 -22.714 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 4.524 25.522 -22.141 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 5.703 24.580 -22.259 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -2.732 24.693 -17.198 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -2.167 24.814 -17.961 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -2.413 25.330 -16.559 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 3.577 30.196 -16.464 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 3.336 30.858 -15.816 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 3.379 29.362 -16.039 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -1.852 29.092 -12.481 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -2.164 29.874 -12.025 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -2.502 28.939 -13.167 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -4.932 25.290 -13.252 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -4.862 25.941 -12.554 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -5.823 25.393 -13.587 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -3.613 31.164 -11.717 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -3.605 31.028 -12.665 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -4.529 31.046 -11.465 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -8.016 27.357 -14.427 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -8.517 27.329 -15.242 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -8.010 26.451 -14.117 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 9.932 30.803 -11.861 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 9.883 29.848 -11.898 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 9.106 31.071 -11.459 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 0.911 30.377 -12.985 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 0.998 31.203 -12.510 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 0.047 30.047 -12.736 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -5.767 28.680 -13.384 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -5.550 28.319 -12.524 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -6.622 28.306 -13.594 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -3.148 17.150 -17.388 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -4.009 17.063 -17.796 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.170 18.006 -16.961 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -3.057 22.116 -16.293 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -3.699 22.075 -15.584 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -3.020 23.042 -16.531 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 2.476 22.753 -22.564 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 2.067 23.568 -22.856 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 3.196 22.613 -23.179 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -5.307 22.436 -14.426 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -5.345 22.836 -13.558 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -5.798 21.619 -14.336 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -0.478 19.764 -20.295 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -1.389 19.821 -20.006 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 0.027 19.704 -19.484 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 0.842 22.552 -18.408 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 1.406 22.005 -18.955 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 0.694 22.030 -17.619 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -4.156 18.688 -21.990 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -4.473 17.786 -22.025 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -3.375 18.690 -22.542 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -0.532 20.940 -15.994 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -1.367 21.394 -15.884 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -0.008 21.216 -15.242 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 1.532 27.337 -13.072 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 1.186 26.956 -12.266 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 1.332 28.271 -13.001 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -7.855 24.909 -13.225 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -7.632 24.491 -12.393 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -8.457 24.296 -13.647 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -0.838 24.426 -11.012 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -1.134 24.260 -11.907 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 0.093 24.206 -11.022 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 3.782 29.799 -13.122 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 2.881 29.982 -13.390 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 3.816 30.058 -12.201 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 2.998 27.877 -15.543 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 2.572 27.650 -14.717 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 3.579 27.139 -15.726 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 5.657 32.429 -13.074 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 5.055 31.874 -13.569 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 5.938 33.096 -13.700 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -6.221 19.662 -13.667 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -7.114 20.001 -13.734 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -6.320 18.807 -13.249 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -6.570 31.467 -15.232 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -6.353 30.535 -15.263 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -6.323 31.741 -14.348 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 3.298 19.055 -23.680 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 3.518 19.527 -24.483 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 3.856 19.450 -23.009 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 0.498 20.783 -22.845 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 1.310 21.287 -22.799 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 0.253 20.638 -21.931 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 1.382 17.864 -21.907 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 1.035 18.482 -21.262 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 2.040 18.365 -22.388 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -5.578 16.801 -18.370 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -5.807 16.860 -19.297 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -6.021 16.009 -18.063 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -7.359 33.354 -10.879 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -6.819 33.137 -10.120 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -7.840 32.548 -11.069 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -2.762 32.273 -9.259 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -1.994 31.814 -8.918 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -2.783 32.047 -10.189 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 3.815 30.653 -10.530 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 3.464 29.797 -10.287 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 4.541 30.796 -9.923 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -0.797 27.134 -10.492 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -1.125 27.405 -11.350 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -0.645 26.193 -10.580 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -2.673 23.373 -13.131 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -3.291 24.048 -12.850 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -2.329 23.694 -13.964 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 2.347 25.844 -9.853 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 3.300 25.928 -9.881 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 2.187 25.133 -9.234 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -2.333 20.728 -12.048 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -2.183 19.999 -12.651 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -2.331 21.505 -12.607 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -0.339 24.537 -14.316 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 0.412 24.381 -14.889 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -0.678 25.389 -14.592 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -3.855 21.926 -10.137 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -4.622 21.394 -10.347 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -3.176 21.616 -10.736 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 0.149 20.876 -10.561 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -0.087 20.656 -9.659 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -0.634 20.669 -11.070 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.674 19.847 -10.432 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.463 19.140 -11.043 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.786 19.409 -9.588 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -8.776 34.443 -21.663 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -9.423 33.981 -22.196 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -8.421 33.771 -21.080 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 7.657 28.690 -9.318 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 6.791 28.585 -8.924 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 8.033 29.449 -8.871 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 9.352 25.000 -21.980 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 8.626 24.521 -21.582 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 9.933 25.206 -21.248 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 9.111 27.785 -17.032 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 9.945 27.407 -17.313 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 9.223 28.728 -17.151 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 7.598 30.663 -14.725 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 6.950 30.988 -14.100 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 7.080 30.223 -15.400 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 7.139 23.521 -21.417 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 6.989 22.576 -21.437 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 6.785 23.802 -20.573 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 6.849 21.104 -22.955 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 7.129 20.197 -22.830 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 7.608 21.538 -23.344 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -8.228 20.870 -11.266 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -7.309 20.748 -11.030 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -8.678 20.120 -10.877 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 9.773 16.402 -9.389 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 10.123 15.748 -9.995 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 9.920 17.239 -9.829 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 9.293 18.511 -11.040 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 8.376 18.782 -11.076 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 9.416 17.976 -11.824 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -3.280 31.327 -14.504 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -3.705 32.136 -14.787 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -2.375 31.412 -14.806 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 8.294 16.601 -13.221 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 7.481 16.926 -13.609 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 8.527 15.841 -13.754 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 6.866 16.157 -18.786 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 7.470 16.705 -19.287 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 5.997 16.477 -19.026 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 8.593 17.296 -20.452 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 9.205 16.782 -20.979 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 8.976 18.174 -20.429 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -5.950 16.684 -21.076 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -6.727 16.450 -21.584 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -5.419 15.887 -21.068 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -1.370 16.611 -21.263 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -0.496 16.999 -21.293 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -1.506 16.396 -20.340 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 5.540 16.667 -23.921 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 4.837 17.281 -24.131 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 5.095 15.829 -23.790 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -0.226 18.691 -24.373 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -0.048 18.045 -23.690 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -0.280 19.525 -23.906 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -5.992 17.198 -11.559 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -6.358 16.433 -11.116 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -5.079 17.227 -11.272 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 7.579 31.954 -11.148 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 6.797 31.768 -11.668 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 7.507 32.883 -10.931 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 3.129 25.840 -2.262 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 3.218 26.784 -2.394 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 2.490 25.565 -2.920 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 2.062 25.095 1.157 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 2.024 24.449 1.862 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 1.739 24.629 0.386 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 0.451 27.528 1.563 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 0.755 26.842 0.969 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 1.173 27.646 2.181 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 3.592 21.922 1.891 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 3.735 20.975 1.911 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 3.486 22.129 0.962 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 4.469 20.154 -2.436 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 5.115 19.825 -1.811 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 4.979 20.672 -3.059 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 2.926 28.441 -3.219 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 2.630 28.119 -4.070 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 2.602 29.341 -3.177 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 6.233 19.445 -0.455 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 6.018 18.679 0.077 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 6.889 19.917 0.058 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 6.580 18.160 3.224 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 5.844 18.771 3.186 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 7.264 18.575 2.698 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 1.850 25.084 -4.810 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 1.138 25.619 -5.161 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 2.541 25.140 -5.470 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 1.904 23.542 -7.771 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 2.605 23.564 -7.120 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 2.206 22.914 -8.427 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 5.256 25.294 -3.858 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 4.524 25.522 -3.285 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 5.703 24.580 -3.403 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -1.852 29.092 6.375 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -2.164 29.874 6.831 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -2.502 28.939 5.689 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 4.127 24.456 -6.173 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 4.706 24.606 -5.426 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 4.541 24.927 -6.896 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 1.853 31.193 -2.738 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 2.327 31.488 -1.960 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 1.290 31.931 -2.971 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 7.825 16.206 -6.360 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 6.926 16.345 -6.065 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 8.077 17.037 -6.762 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 9.015 30.572 -7.983 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 9.088 31.511 -7.813 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 9.920 30.267 -8.040 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 0.911 30.377 5.871 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 0.998 31.203 6.346 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 0.047 30.047 6.120 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 1.325 34.149 -4.323 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 1.250 34.028 -5.269 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 1.358 35.099 -4.204 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 1.177 19.365 -7.873 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 0.923 19.384 -6.950 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 0.920 18.493 -8.174 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 2.476 22.753 -3.708 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 2.067 23.568 -4.000 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 3.196 22.613 -4.323 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 1.578 22.928 7.780 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 1.015 22.224 8.100 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 2.404 22.808 8.247 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 3.480 22.199 -0.894 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 3.285 22.804 -1.609 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 3.662 21.365 -1.329 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -1.941 19.810 -8.772 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -2.372 19.365 -8.042 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -2.659 20.182 -9.284 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 2.744 23.837 3.777 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 3.068 23.206 3.134 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 2.304 23.302 4.438 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 3.927 18.999 1.825 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 3.250 19.130 2.489 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 3.441 18.844 1.015 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 0.012 27.153 -5.453 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -0.732 26.646 -5.776 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -0.122 27.202 -4.507 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 3.910 19.967 -7.254 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 2.972 20.079 -7.405 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 4.207 20.824 -6.948 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 1.532 27.337 5.784 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 1.186 26.956 6.590 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 1.332 28.271 5.855 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 4.628 21.834 -5.593 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 5.520 21.697 -5.274 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 4.685 22.625 -6.130 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 2.138 28.612 -6.428 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 1.843 29.438 -6.046 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 1.435 27.992 -6.232 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -0.838 24.426 7.844 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -1.134 24.260 6.949 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 0.093 24.206 7.834 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 9.513 22.044 -5.899 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 8.959 21.648 -6.571 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 9.614 22.954 -6.176 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 7.809 30.830 -5.434 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 7.436 30.004 -5.124 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 8.086 30.647 -6.331 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 4.969 25.638 1.588 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 4.041 25.406 1.561 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 5.420 24.861 1.258 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -0.546 31.778 3.612 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -0.183 32.633 3.379 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -0.014 31.486 4.353 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 2.998 27.877 3.313 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 2.572 27.650 4.139 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 3.579 27.139 3.130 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 5.201 28.806 -7.613 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 5.554 28.426 -6.809 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 4.252 28.713 -7.527 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 6.067 27.479 -5.387 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 5.790 26.751 -4.831 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 6.994 27.598 -5.181 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -0.708 29.918 -9.166 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -0.469 29.170 -9.714 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -0.977 29.530 -8.334 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -1.771 29.488 -6.710 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -1.624 28.968 -5.920 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -1.774 30.395 -6.404 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 2.514 19.403 4.079 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 3.212 19.477 4.729 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 2.133 18.539 4.234 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 0.967 31.186 -5.961 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 0.150 31.683 -5.908 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 1.496 31.661 -6.601 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 0.498 20.783 -3.989 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 1.310 21.287 -3.943 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 0.253 20.638 -3.075 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 1.034 21.769 5.196 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 1.153 22.343 5.953 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 1.689 21.081 5.311 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -1.695 32.229 -5.979 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -1.534 33.029 -6.480 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -1.892 32.536 -5.094 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 5.840 23.427 0.127 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 5.043 23.012 -0.202 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 6.285 22.736 0.618 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.762 32.273 9.597 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -1.994 31.814 9.938 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -2.783 32.047 8.667 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 5.934 31.598 -8.794 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 6.217 30.804 -8.341 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 6.674 31.831 -9.355 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -0.797 27.134 8.364 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -1.125 27.405 7.506 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -0.645 26.193 8.276 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 2.241 28.555 -9.201 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 1.973 28.735 -8.300 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 2.035 27.629 -9.332 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -0.891 23.723 -8.368 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -1.071 23.569 -9.296 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 0.060 23.831 -8.324 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 0.149 20.876 8.295 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -0.087 20.656 9.197 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -0.634 20.669 7.786 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 2.865 20.003 7.371 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 1.917 20.035 7.503 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 3.177 19.378 8.025 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 4.499 18.637 9.376 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 4.402 17.685 9.370 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 4.177 18.906 10.237 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -0.993 34.414 -7.367 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -0.060 34.572 -7.223 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -1.257 35.089 -7.992 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 8.958 26.947 -4.948 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 9.808 27.368 -4.820 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 8.963 26.207 -4.340 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 9.352 25.000 -3.124 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 8.626 24.521 -2.726 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 9.933 25.206 -2.392 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 9.620 24.901 -6.733 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 9.099 25.258 -7.452 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 9.587 25.576 -6.055 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 7.139 23.521 -2.561 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 6.989 22.576 -2.581 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 6.785 23.802 -1.717 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 7.217 19.549 -9.065 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 7.827 19.177 -8.428 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 6.380 19.127 -8.869 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 6.849 21.104 -4.099 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 7.129 20.197 -3.974 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 7.608 21.538 -4.488 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 7.463 18.367 -4.050 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 7.645 17.918 -3.225 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 6.863 17.782 -4.514 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 9.329 18.434 -7.522 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 9.742 17.713 -7.998 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 10.011 19.104 -7.464 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -5.878 34.583 4.399 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -6.598 35.023 3.948 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -6.244 34.332 5.248 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -3.411 34.183 3.429 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -4.276 34.255 3.833 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -3.466 34.730 2.645 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -1.785 32.386 0.813 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -1.572 31.498 0.526 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -1.720 32.352 1.768 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 6.866 16.157 0.070 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 7.470 16.705 -0.431 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 5.997 16.477 -0.170 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 8.593 17.296 -1.596 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 9.205 16.782 -2.123 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 8.976 18.174 -1.573 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -5.394 33.350 -8.494 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -5.662 33.637 -7.621 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -4.623 32.804 -8.342 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 4.403 15.881 9.015 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 4.479 15.455 9.869 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 5.296 15.895 8.673 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -5.570 24.710 21.606 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -5.528 24.084 22.330 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -4.867 25.333 21.788 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -4.646 29.160 20.141 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -5.016 28.358 19.772 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -3.705 28.991 20.188 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -3.253 20.023 18.019 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -3.210 20.883 17.601 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -3.711 19.471 17.386 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -1.477 23.970 17.997 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -0.861 23.444 18.506 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -2.063 23.330 17.593 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -4.443 18.941 22.093 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -4.662 19.471 21.327 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -5.111 19.168 22.741 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -4.849 20.833 20.046 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -4.236 21.466 20.419 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -4.337 20.361 19.389 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -7.345 28.252 13.950 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -7.617 28.481 13.061 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -7.300 29.090 14.410 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 1.904 23.542 11.085 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 2.605 23.564 11.736 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 2.206 22.914 10.429 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -3.099 25.924 16.881 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -3.429 25.554 16.062 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -2.511 25.254 17.227 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -2.732 24.693 20.514 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -2.167 24.814 19.751 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -2.413 25.330 21.153 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -4.109 24.994 14.470 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -4.401 25.762 13.979 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -4.783 24.334 14.307 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -8.016 27.357 23.285 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -8.517 27.329 22.470 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -8.010 26.451 23.595 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -8.265 30.137 20.169 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -7.319 29.993 20.150 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -8.378 30.921 20.706 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -3.148 17.150 20.324 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -4.009 17.063 19.916 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -3.170 18.006 20.751 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 1.177 19.365 10.983 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 0.923 19.384 11.906 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 0.920 18.493 10.682 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -3.057 22.116 21.419 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -3.699 22.075 22.128 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -3.020 23.042 21.181 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -3.060 22.337 16.331 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -3.953 21.996 16.272 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -2.609 21.960 15.575 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -5.307 22.436 23.286 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -5.345 22.836 24.154 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -5.798 21.619 23.376 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -1.997 21.393 13.900 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -1.065 21.522 14.078 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -2.212 22.063 13.251 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -3.323 22.588 11.467 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -3.865 22.208 10.776 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -2.489 22.782 11.038 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -4.156 18.688 15.722 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -4.473 17.786 15.687 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -3.375 18.690 15.170 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 3.910 19.967 11.602 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 2.972 20.079 11.451 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 4.207 20.824 11.908 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -4.863 26.448 19.172 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -4.118 26.446 18.571 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -4.785 25.624 19.654 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -7.855 24.909 24.487 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -7.632 24.491 25.319 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -8.457 24.296 24.065 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -0.708 29.918 9.690 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -0.469 29.170 9.142 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -0.977 29.530 10.522 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -5.318 26.741 12.656 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -6.004 27.093 13.223 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -4.795 27.504 12.410 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 0.498 20.783 14.867 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 1.310 21.287 14.913 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 0.253 20.638 15.781 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 1.382 17.864 15.805 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 1.035 18.482 16.450 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 2.040 18.365 15.324 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -4.702 29.355 11.553 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -4.110 30.054 11.829 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -4.243 28.922 10.834 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -5.578 16.801 19.342 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -5.807 16.860 18.415 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -6.021 16.009 19.649 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -6.648 30.741 15.503 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -7.480 31.214 15.530 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -6.102 31.251 14.904 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -3.111 27.508 9.919 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -3.047 26.714 10.450 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -2.458 27.389 9.230 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -1.962 25.480 12.225 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -2.421 24.996 12.911 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -1.707 24.812 11.589 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -0.891 23.723 10.488 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -1.071 23.569 9.560 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 0.060 23.831 10.532 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -7.425 29.050 10.972 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -6.511 29.129 11.245 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -7.418 28.363 10.305 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -7.906 32.524 17.854 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -8.240 31.643 18.026 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -7.684 32.869 18.718 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -7.007 19.182 19.337 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -6.562 18.390 19.639 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -6.541 19.898 19.768 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -8.426 17.177 22.805 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -9.091 16.931 23.448 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -8.869 17.799 22.228 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -1.370 16.611 16.449 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -0.496 16.999 16.419 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -1.506 16.396 17.372 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -7.212 32.430 13.337 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -7.897 32.392 12.669 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -7.209 33.343 13.625 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -0.226 18.691 13.339 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -0.048 18.045 14.022 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -0.280 19.525 13.806 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -5.394 33.350 10.362 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -5.662 33.637 11.235 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -4.623 32.804 10.514 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -7.452 46.020 -28.781 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -7.308 45.118 -29.067 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -8.225 46.306 -29.269 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -6.620 43.220 -29.361 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -6.212 42.363 -29.482 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -6.880 43.235 -28.440 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -8.228 39.726 -30.122 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -7.309 39.604 -29.886 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -8.678 38.976 -29.733 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -8.036 41.676 -22.178 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -8.484 42.522 -22.196 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -8.597 41.096 -22.693 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -7.345 47.108 -23.762 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -7.617 47.337 -24.651 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -7.300 47.946 -23.302 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -8.699 38.408 -20.576 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -8.068 38.379 -19.856 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -8.249 37.983 -21.306 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -7.424 39.154 -25.152 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -6.950 39.745 -25.737 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -8.142 39.685 -24.805 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -6.733 43.684 -26.548 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -6.117 44.311 -26.169 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -7.595 44.000 -26.277 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -6.386 40.875 -27.043 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -6.431 41.814 -26.864 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -7.274 40.639 -27.313 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -7.007 38.038 -18.375 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -6.562 37.246 -18.073 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -6.541 38.754 -17.944 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -8.703 41.037 -17.306 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -8.211 40.816 -18.096 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -8.341 41.878 -17.025 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -8.390 37.295 -23.251 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -9.315 37.504 -23.381 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -7.936 37.779 -23.941 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -8.426 36.033 -14.907 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -9.091 35.787 -14.264 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -8.869 36.655 -15.484 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -4.019 35.405 -10.023 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -3.120 35.131 -10.208 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -4.405 34.662 -9.559 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -8.036 41.676 -3.322 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -8.484 42.522 -3.340 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -8.597 41.096 -3.837 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -6.633 41.276 -0.075 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -5.979 40.726 0.357 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -6.609 41.002 -0.991 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -4.443 37.797 3.237 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -4.662 38.327 2.471 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -5.111 38.024 3.885 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -4.849 39.689 1.190 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -4.236 40.322 1.563 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -4.337 39.217 0.533 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -0.417 35.103 0.690 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -0.534 34.154 0.636 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -1.272 35.435 0.963 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -3.148 36.006 1.468 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -4.009 35.919 1.060 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -3.170 36.862 1.895 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -5.307 41.292 4.430 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -5.345 41.692 5.298 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -5.798 40.475 4.520 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -8.699 38.408 -1.720 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -8.068 38.379 -1.000 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -8.249 37.983 -2.450 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -7.424 39.154 -6.296 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -6.950 39.745 -6.881 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -8.142 39.685 -5.949 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -5.650 40.249 -2.612 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -6.539 40.349 -2.952 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -5.354 39.407 -2.958 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -4.156 37.544 -3.134 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -4.473 36.642 -3.169 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -3.375 37.546 -3.686 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -6.221 38.518 5.189 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -7.114 38.857 5.122 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -6.320 37.663 5.607 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -5.578 35.657 0.486 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -5.807 35.716 -0.441 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -6.021 34.865 0.793 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -1.115 35.410 4.732 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -1.213 36.357 4.626 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -1.858 35.038 4.256 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -5.674 38.703 8.424 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -5.463 37.996 7.813 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -5.786 38.265 9.268 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -0.893 34.704 7.403 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -0.181 34.064 7.389 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -0.994 34.971 6.489 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -8.228 39.726 7.590 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -7.309 39.604 7.826 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -8.678 38.976 7.979 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -7.007 38.038 0.481 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -6.562 37.246 0.783 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -6.541 38.754 0.912 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -8.703 41.037 1.550 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -8.211 40.816 0.760 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -8.341 41.878 1.831 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -8.390 37.295 -4.395 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -9.315 37.504 -4.525 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -7.936 37.779 -5.085 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -5.950 35.540 -2.220 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -6.727 35.306 -2.728 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -5.419 34.743 -2.212 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -7.113 35.338 -6.417 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -6.674 35.949 -7.008 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -7.747 35.876 -5.943 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -1.370 35.467 -2.407 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -0.496 35.855 -2.437 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -1.506 35.252 -1.484 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -5.252 37.254 -7.974 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -4.761 36.624 -8.502 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -4.629 37.550 -7.311 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -5.992 36.054 7.297 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -6.358 35.289 7.740 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -5.079 36.083 7.584 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -4.019 35.405 8.833 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -3.120 35.131 8.648 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -4.405 34.662 9.297 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -7.113 35.338 12.439 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -6.674 35.949 11.848 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -7.747 35.876 12.913 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 11.431 10.194 -7.884 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 12.345 10.273 -7.611 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 11.438 9.507 -8.551 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 10.080 15.587 -2.807 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 9.433 15.125 -3.340 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 10.435 14.915 -2.224 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 11.644 13.574 -5.519 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 10.959 13.536 -6.187 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 11.647 14.487 -5.231 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 13.286 24.710 -16.106 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 13.328 24.084 -15.382 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 13.989 25.333 -15.924 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 11.530 24.982 -20.052 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 11.744 24.212 -19.525 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 12.268 25.071 -20.655 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 12.223 22.420 -18.931 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 12.877 21.870 -18.499 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 12.247 22.146 -19.847 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 13.924 25.290 -13.252 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 13.994 25.941 -12.554 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 13.033 25.393 -13.587 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 10.840 27.357 -14.427 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 10.339 27.329 -15.242 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 10.846 26.451 -14.117 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 13.089 28.680 -13.384 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 13.306 28.319 -12.524 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 12.234 28.306 -13.594 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 13.549 22.436 -14.426 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 13.511 22.836 -13.558 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 13.058 21.619 -14.336 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 10.157 19.552 -20.576 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 10.788 19.523 -19.856 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 10.607 19.127 -21.306 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 13.668 27.145 -11.146 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 14.401 27.399 -10.585 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 12.888 27.349 -10.631 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 11.001 24.909 -13.225 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 11.224 24.491 -12.393 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 10.399 24.296 -13.647 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 12.635 19.662 -13.667 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 11.742 20.001 -13.734 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 12.536 18.807 -13.249 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 11.404 27.164 -9.925 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 11.548 26.262 -10.211 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 10.631 27.450 -10.413 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 12.236 24.364 -10.505 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 12.644 23.507 -10.626 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 11.976 24.379 -9.584 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 11.030 25.599 -17.407 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 11.214 25.517 -18.342 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 11.879 25.475 -16.983 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 10.628 20.870 -11.266 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 11.547 20.748 -11.030 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 10.178 20.120 -10.877 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 11.849 19.182 -18.375 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 12.294 18.390 -18.073 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 12.315 19.898 -17.944 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 10.153 22.181 -17.306 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 10.645 21.960 -18.096 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 10.515 23.022 -17.025 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 10.430 17.177 -14.907 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 9.765 16.931 -14.264 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 9.987 17.799 -15.484 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 11.432 20.298 -6.296 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 11.906 20.889 -6.881 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 10.714 20.829 -5.949 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 12.123 24.828 -7.692 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 12.739 25.455 -7.313 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 11.261 25.144 -7.421 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 12.470 22.019 -8.187 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 12.425 22.958 -8.008 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 11.582 21.783 -8.457 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 11.431 29.050 -7.884 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 12.345 29.129 -7.611 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 11.438 28.363 -8.551 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 10.466 18.439 -4.395 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 9.541 18.648 -4.525 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 10.920 18.923 -5.085 0.00 0.00 WAT1 END