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 13:35:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -6.745 -9.425 24.274 1.00 73.21 ATOM 2 CB MET 1 -7.591 -8.035 25.663 1.00 72.31 ATOM 3 HB1 MET 1 -8.160 -8.793 26.185 1.00 37.12 ATOM 4 HB2 MET 1 -8.214 -7.594 24.897 1.00 31.40 ATOM 5 CG MET 1 -7.209 -6.949 26.655 1.00 44.11 ATOM 6 HG1 MET 1 -6.741 -6.137 26.118 1.00 37.12 ATOM 7 HG2 MET 1 -6.514 -7.351 27.373 1.00 70.42 ATOM 8 SD MET 1 -8.629 -6.300 27.556 1.00 10.31 ATOM 9 CE MET 1 -8.104 -4.612 27.846 1.00 64.12 ATOM 10 HE1 MET 1 -7.932 -4.121 26.900 1.00 25.21 ATOM 11 HE2 MET 1 -7.191 -4.613 28.422 1.00 33.32 ATOM 12 HE3 MET 1 -8.873 -4.084 28.391 1.00 1.34 ATOM 13 C MET 1 -5.540 -7.667 24.279 1.00 1.50 ATOM 14 O MET 1 -5.781 -7.354 23.114 1.00 52.31 ATOM 15 N MET 1 -5.598 -9.426 25.994 1.00 4.30 ATOM 16 HT1 MET 1 -4.756 -9.850 25.546 1.00 37.12 ATOM 17 HT2 MET 1 -6.164 -10.199 26.402 1.00 37.12 ATOM 18 HT3 MET 1 -5.284 -8.812 26.768 1.00 37.12 ATOM 19 CA MET 1 -6.388 -8.709 25.000 1.00 74.31 ATOM 20 N GLY 2 -4.545 -7.131 24.981 1.00 72.35 ATOM 21 HN GLY 2 -4.402 -7.375 25.917 1.00 37.12 ATOM 22 CA GLY 2 -3.677 -6.129 24.391 1.00 61.23 ATOM 23 HA1 GLY 2 -3.904 -5.176 24.847 1.00 37.12 ATOM 24 HA2 GLY 2 -3.859 -6.047 23.325 1.00 51.21 ATOM 25 C GLY 2 -2.208 -6.427 24.621 1.00 54.43 ATOM 26 O GLY 2 -1.757 -6.518 25.763 1.00 75.31 ATOM 27 N HIS 3 -1.460 -6.580 23.533 1.00 43.50 ATOM 28 HN HIS 3 -1.870 -6.530 22.650 1.00 37.12 ATOM 29 CA HIS 3 -0.033 -6.870 23.622 1.00 50.25 ATOM 30 HA HIS 3 0.213 -7.028 24.664 1.00 35.50 ATOM 31 CB HIS 3 0.302 -8.135 22.830 1.00 14.44 ATOM 32 HB1 HIS 3 0.481 -7.895 21.790 1.00 37.12 ATOM 33 HB2 HIS 3 -0.535 -8.817 22.888 1.00 4.44 ATOM 34 CG HIS 3 1.501 -8.866 23.349 1.00 2.15 ATOM 35 ND1 HIS 3 2.166 -9.831 22.624 1.00 63.53 ATOM 36 HD1 HIS 3 1.931 -10.132 21.721 1.00 41.43 ATOM 37 CD2 HIS 3 2.156 -8.767 24.530 1.00 41.11 ATOM 38 HD2 HIS 3 1.912 -8.106 25.348 1.00 30.04 ATOM 39 CE1 HIS 3 3.177 -10.296 23.336 1.00 63.01 ATOM 40 HE1 HIS 3 3.873 -11.060 23.022 1.00 71.20 ATOM 41 NE2 HIS 3 3.193 -9.666 24.497 1.00 65.03 ATOM 42 HE2 HIS 3 3.782 -9.884 25.250 1.00 37.12 ATOM 43 C HIS 3 0.793 -5.697 23.102 1.00 22.10 ATOM 44 O HIS 3 0.941 -5.516 21.893 1.00 52.40 ATOM 45 N HIS 4 1.329 -4.903 24.023 1.00 5.04 ATOM 46 HN HIS 4 1.181 -5.088 24.978 1.00 37.12 ATOM 47 CA HIS 4 2.141 -3.747 23.658 1.00 32.20 ATOM 48 HA HIS 4 2.441 -3.274 24.579 1.00 24.44 ATOM 49 CB HIS 4 3.373 -4.191 22.869 1.00 74.44 ATOM 50 HB1 HIS 4 3.131 -4.278 21.817 1.00 37.12 ATOM 51 HB2 HIS 4 3.695 -5.157 23.232 1.00 30.40 ATOM 52 CG HIS 4 4.537 -3.258 23.000 1.00 73.21 ATOM 53 ND1 HIS 4 5.563 -3.201 22.081 1.00 71.14 ATOM 54 HD1 HIS 4 5.637 -3.748 21.271 1.00 64.35 ATOM 55 CD2 HIS 4 4.833 -2.340 23.950 1.00 71.53 ATOM 56 HD2 HIS 4 4.247 -2.111 24.828 1.00 74.45 ATOM 57 CE1 HIS 4 6.441 -2.290 22.460 1.00 11.12 ATOM 58 HE1 HIS 4 7.347 -2.028 21.934 1.00 3.13 ATOM 59 NE2 HIS 4 6.021 -1.753 23.591 1.00 1.44 ATOM 60 HE2 HIS 4 6.526 -1.112 24.134 1.00 37.12 ATOM 61 C HIS 4 1.328 -2.750 22.837 1.00 21.53 ATOM 62 O HIS 4 1.877 -2.008 22.023 1.00 41.51 ATOM 63 N HIS 5 0.017 -2.740 23.056 1.00 20.45 ATOM 64 HN HIS 5 -0.375 -3.318 23.749 1.00 37.12 ATOM 65 CA HIS 5 -0.871 -1.835 22.337 1.00 55.22 ATOM 66 HA HIS 5 -0.356 -1.467 21.454 1.00 11.15 ATOM 67 CB HIS 5 -2.131 -2.574 21.885 1.00 61.53 ATOM 68 HB1 HIS 5 -2.852 -1.861 21.503 1.00 37.12 ATOM 69 HB2 HIS 5 -2.559 -3.090 22.732 1.00 51.02 ATOM 70 CG HIS 5 -1.879 -3.582 20.806 1.00 61.23 ATOM 71 ND1 HIS 5 -1.090 -3.324 19.704 1.00 30.35 ATOM 72 HD1 HIS 5 -0.628 -2.481 19.515 1.00 54.42 ATOM 73 CD2 HIS 5 -2.315 -4.856 20.664 1.00 13.41 ATOM 74 HD2 HIS 5 -2.985 -5.380 21.329 1.00 31.15 ATOM 75 CE1 HIS 5 -1.054 -4.395 18.931 1.00 4.14 ATOM 76 HE1 HIS 5 -0.514 -4.484 18.000 1.00 34.53 ATOM 77 NE2 HIS 5 -1.789 -5.339 19.492 1.00 43.45 ATOM 78 HE2 HIS 5 -2.008 -6.202 19.083 1.00 37.12 ATOM 79 C HIS 5 -1.253 -0.642 23.208 1.00 50.31 ATOM 80 O HIS 5 -1.599 -0.800 24.379 1.00 23.52 ATOM 81 N HIS 6 -1.187 0.553 22.629 1.00 71.02 ATOM 82 HN HIS 6 -0.946 0.608 21.682 1.00 37.12 ATOM 83 CA HIS 6 -1.526 1.773 23.353 1.00 44.23 ATOM 84 HA HIS 6 -1.709 1.536 24.394 1.00 31.42 ATOM 85 CB HIS 6 -0.367 2.769 23.286 1.00 73.03 ATOM 86 HB1 HIS 6 0.434 2.407 23.915 1.00 37.12 ATOM 87 HB2 HIS 6 -0.684 3.737 23.651 1.00 32.33 ATOM 88 CG HIS 6 0.189 2.949 21.907 1.00 71.02 ATOM 89 ND1 HIS 6 1.526 3.176 21.658 1.00 21.12 ATOM 90 HD1 HIS 6 2.231 3.242 22.335 1.00 74.15 ATOM 91 CD2 HIS 6 -0.419 2.933 20.698 1.00 75.33 ATOM 92 HD2 HIS 6 -1.469 2.780 20.506 1.00 32.44 ATOM 93 CE1 HIS 6 1.716 3.293 20.356 1.00 11.22 ATOM 94 HE1 HIS 6 2.663 3.474 19.869 1.00 41.30 ATOM 95 NE2 HIS 6 0.551 3.149 19.751 1.00 50.14 ATOM 96 HE2 HIS 6 0.421 3.098 18.781 1.00 37.12 ATOM 97 C HIS 6 -2.791 2.408 22.785 1.00 14.21 ATOM 98 O HIS 6 -2.830 3.610 22.519 1.00 1.13 ATOM 99 N HIS 7 -3.825 1.593 22.601 1.00 52.21 ATOM 100 HN HIS 7 -3.747 0.640 22.833 1.00 37.12 ATOM 101 CA HIS 7 -5.093 2.076 22.064 1.00 21.44 ATOM 102 HA HIS 7 -5.017 3.143 21.884 1.00 1.41 ATOM 103 CB HIS 7 -5.412 1.374 20.744 1.00 32.10 ATOM 104 HB1 HIS 7 -6.480 1.405 20.559 1.00 37.12 ATOM 105 HB2 HIS 7 -5.097 0.342 20.801 1.00 73.54 ATOM 106 CG HIS 7 -4.738 1.993 19.559 1.00 62.45 ATOM 107 ND1 HIS 7 -4.302 1.261 18.474 1.00 54.13 ATOM 108 HD1 HIS 7 -4.383 0.290 18.368 1.00 71.31 ATOM 109 CD2 HIS 7 -4.426 3.282 19.290 1.00 11.23 ATOM 110 HD2 HIS 7 -4.623 4.135 19.925 1.00 53.21 ATOM 111 CE1 HIS 7 -3.751 2.074 17.590 1.00 24.34 ATOM 112 HE1 HIS 7 -3.324 1.781 16.642 1.00 45.33 ATOM 113 NE2 HIS 7 -3.813 3.306 18.062 1.00 54.03 ATOM 114 HE2 HIS 7 -3.561 4.114 17.568 1.00 37.12 ATOM 115 C HIS 7 -6.226 1.850 23.061 1.00 22.21 ATOM 116 O HIS 7 -6.598 0.711 23.346 1.00 52.12 ATOM 117 N HIS 8 -6.770 2.942 23.589 1.00 24.11 ATOM 118 HN HIS 8 -6.426 3.831 23.338 1.00 37.12 ATOM 119 CA HIS 8 -7.860 2.863 24.554 1.00 31.35 ATOM 120 HA HIS 8 -8.303 1.875 24.514 1.00 60.23 ATOM 121 CB HIS 8 -7.335 3.103 25.970 1.00 4.30 ATOM 122 HB1 HIS 8 -6.670 2.293 26.234 1.00 37.12 ATOM 123 HB2 HIS 8 -8.159 3.119 26.669 1.00 41.33 ATOM 124 CG HIS 8 -6.579 4.388 26.118 1.00 22.21 ATOM 125 ND1 HIS 8 -7.172 5.627 26.007 1.00 14.43 ATOM 126 HD1 HIS 8 -8.122 5.798 25.850 1.00 33.44 ATOM 127 CD2 HIS 8 -5.270 4.620 26.371 1.00 4.45 ATOM 128 HD2 HIS 8 -4.503 3.872 26.517 1.00 64.21 ATOM 129 CE1 HIS 8 -6.261 6.567 26.184 1.00 2.04 ATOM 130 HE1 HIS 8 -6.437 7.632 26.152 1.00 70.12 ATOM 131 NE2 HIS 8 -5.098 5.982 26.408 1.00 43.44 ATOM 132 HE2 HIS 8 -4.237 6.445 26.480 1.00 37.12 ATOM 133 C HIS 8 -8.952 3.876 24.225 1.00 2.43 ATOM 134 O HIS 8 -8.819 4.665 23.289 1.00 23.51 ATOM 135 N SER 9 -10.031 3.849 25.001 1.00 52.25 ATOM 136 HN SER 9 -10.095 3.192 25.730 1.00 37.12 ATOM 137 CA SER 9 -11.148 4.763 24.788 1.00 21.43 ATOM 138 HA SER 9 -10.902 5.454 23.989 1.00 14.51 ATOM 139 CB SER 9 -12.399 3.985 24.377 1.00 34.31 ATOM 140 HB1 SER 9 -13.043 4.627 23.795 1.00 37.12 ATOM 141 HB2 SER 9 -12.935 3.634 25.249 1.00 54.10 ATOM 142 OG SER 9 -12.062 2.853 23.593 1.00 11.34 ATOM 143 HG SER 9 -12.861 2.472 23.220 1.00 64.14 ATOM 144 C SER 9 -11.432 5.576 26.048 1.00 64.33 ATOM 145 O SER 9 -12.285 5.211 26.857 1.00 25.55 ATOM 146 N HIS 10 -10.710 6.681 26.206 1.00 21.31 ATOM 147 HN HIS 10 -10.048 6.933 25.520 1.00 37.12 ATOM 148 CA HIS 10 -10.883 7.547 27.366 1.00 14.35 ATOM 149 HA HIS 10 -11.449 7.007 28.117 1.00 64.32 ATOM 150 CB HIS 10 -9.524 7.913 27.964 1.00 35.33 ATOM 151 HB1 HIS 10 -8.969 8.514 27.256 1.00 37.12 ATOM 152 HB2 HIS 10 -8.974 7.005 28.162 1.00 40.12 ATOM 153 CG HIS 10 -9.621 8.677 29.249 1.00 71.12 ATOM 154 ND1 HIS 10 -10.644 8.497 30.156 1.00 2.42 ATOM 155 HD1 HIS 10 -11.390 7.870 30.065 1.00 2.50 ATOM 156 CD2 HIS 10 -8.814 9.627 29.777 1.00 71.33 ATOM 157 HD2 HIS 10 -7.909 10.018 29.334 1.00 72.23 ATOM 158 CE1 HIS 10 -10.463 9.305 31.186 1.00 44.02 ATOM 159 HE1 HIS 10 -11.107 9.382 32.050 1.00 13.21 ATOM 160 NE2 HIS 10 -9.359 10.001 30.980 1.00 21.14 ATOM 161 HE2 HIS 10 -9.041 10.736 31.545 1.00 37.12 ATOM 162 C HIS 10 -11.644 8.815 26.989 1.00 42.10 ATOM 163 O HIS 10 -11.278 9.510 26.042 1.00 54.34 ATOM 164 N MET 11 -12.703 9.109 27.736 1.00 71.40 ATOM 165 HN MET 11 -12.952 8.523 28.487 1.00 37.12 ATOM 166 CA MET 11 -13.514 10.293 27.479 1.00 32.02 ATOM 167 HA MET 11 -13.133 10.801 26.603 1.00 51.53 ATOM 168 CB MET 11 -14.967 9.894 27.211 1.00 3.21 ATOM 169 HB1 MET 11 -15.548 10.783 27.002 1.00 37.12 ATOM 170 HB2 MET 11 -15.367 9.415 28.095 1.00 74.10 ATOM 171 CG MET 11 -15.128 8.933 26.045 1.00 65.14 ATOM 172 HG1 MET 11 -16.170 8.657 25.969 1.00 37.12 ATOM 173 HG2 MET 11 -14.539 8.049 26.242 1.00 61.44 ATOM 174 SD MET 11 -14.607 9.652 24.475 1.00 22.22 ATOM 175 CE MET 11 -14.015 8.196 23.616 1.00 73.04 ATOM 176 HE1 MET 11 -13.661 8.476 22.635 1.00 71.44 ATOM 177 HE2 MET 11 -14.820 7.483 23.519 1.00 24.54 ATOM 178 HE3 MET 11 -13.206 7.751 24.177 1.00 12.03 ATOM 179 C MET 11 -13.450 11.262 28.656 1.00 64.32 ATOM 180 O MET 11 -13.954 10.971 29.740 1.00 73.33 ATOM 181 N ALA 12 -12.825 12.414 28.434 1.00 32.34 ATOM 182 HN ALA 12 -12.427 12.588 27.548 1.00 37.12 ATOM 183 CA ALA 12 -12.696 13.425 29.476 1.00 55.42 ATOM 184 HA ALA 12 -13.640 13.489 30.009 1.00 65.42 ATOM 185 CB ALA 12 -11.622 13.021 30.475 1.00 74.23 ATOM 186 HB1 ALA 12 -10.663 12.969 29.978 1.00 71.33 ATOM 187 HB2 ALA 12 -11.864 12.052 30.887 1.00 22.53 ATOM 188 HB3 ALA 12 -11.576 13.748 31.274 1.00 61.21 ATOM 189 C ALA 12 -12.378 14.791 28.878 1.00 41.51 ATOM 190 O ALA 12 -11.668 14.893 27.877 1.00 25.34 ATOM 191 N LYS 13 -12.908 15.841 29.496 1.00 13.13 ATOM 192 HN LYS 13 -13.470 15.708 30.293 1.00 37.12 ATOM 193 CA LYS 13 -12.681 17.202 29.026 1.00 5.42 ATOM 194 HA LYS 13 -13.300 17.866 29.613 1.00 35.53 ATOM 195 CB LYS 13 -11.214 17.594 29.224 1.00 72.53 ATOM 196 HB1 LYS 13 -10.982 18.445 28.594 1.00 37.12 ATOM 197 HB2 LYS 13 -10.579 16.771 28.935 1.00 13.03 ATOM 198 CG LYS 13 -10.877 17.986 30.652 1.00 45.35 ATOM 199 HG1 LYS 13 -11.234 17.211 31.320 1.00 37.12 ATOM 200 HG2 LYS 13 -11.369 18.919 30.884 1.00 40.24 ATOM 201 CD LYS 13 -9.379 18.159 30.843 1.00 31.41 ATOM 202 HD1 LYS 13 -9.058 19.044 30.313 1.00 37.12 ATOM 203 HD2 LYS 13 -8.864 17.293 30.448 1.00 42.01 ATOM 204 CE LYS 13 -9.019 18.307 32.313 1.00 3.33 ATOM 205 HE1 LYS 13 -7.944 18.256 32.410 1.00 37.12 ATOM 206 HE2 LYS 13 -9.466 17.498 32.875 1.00 75.42 ATOM 207 NZ LYS 13 -9.490 19.605 32.871 1.00 20.04 ATOM 208 HZ1 LYS 13 -10.527 19.672 32.810 1.00 11.32 ATOM 209 HZ2 LYS 13 -9.070 20.400 32.345 1.00 13.14 ATOM 210 HZ3 LYS 13 -9.210 19.683 33.870 1.00 40.45 ATOM 211 C LYS 13 -13.061 17.341 27.556 1.00 61.14 ATOM 212 O LYS 13 -12.209 17.499 26.681 1.00 4.13 ATOM 213 N PRO 14 -14.371 17.282 27.274 1.00 30.32 ATOM 214 CA PRO 14 -14.894 17.401 25.910 1.00 62.42 ATOM 215 HA PRO 14 -14.425 16.688 25.245 1.00 63.44 ATOM 216 CB PRO 14 -16.375 17.049 26.066 1.00 73.33 ATOM 217 HB1 PRO 14 -16.513 15.996 25.872 1.00 37.12 ATOM 218 HB2 PRO 14 -16.984 17.624 25.378 1.00 50.34 ATOM 219 CG PRO 14 -16.695 17.376 27.483 1.00 14.53 ATOM 220 HG1 PRO 14 -17.503 16.750 27.831 1.00 37.12 ATOM 221 HG2 PRO 14 -16.964 18.419 27.567 1.00 52.44 ATOM 222 CD PRO 14 -15.443 17.095 28.266 1.00 20.13 ATOM 223 HD1 PRO 14 -15.451 16.082 28.641 1.00 37.12 ATOM 224 HD2 PRO 14 -15.352 17.799 29.078 1.00 73.23 ATOM 225 C PRO 14 -14.737 18.810 25.350 1.00 52.23 ATOM 226 O PRO 14 -15.474 19.724 25.723 1.00 21.21 ATOM 227 N THR 15 -13.773 18.981 24.451 1.00 42.23 ATOM 228 HN THR 15 -13.219 18.209 24.201 1.00 37.12 ATOM 229 CA THR 15 -13.519 20.280 23.840 1.00 72.25 ATOM 230 HA THR 15 -13.610 21.043 24.607 1.00 1.42 ATOM 231 CB THR 15 -12.093 20.361 23.264 1.00 62.21 ATOM 232 HB THR 15 -11.388 20.173 24.062 1.00 61.54 ATOM 233 OG1 THR 15 -11.855 21.666 22.726 1.00 40.32 ATOM 234 HG1 THR 15 -10.912 21.849 22.727 1.00 70.31 ATOM 235 CG2 THR 15 -11.887 19.314 22.179 1.00 2.41 ATOM 236 HG21 THR 15 -10.860 19.351 21.847 1.00 22.44 ATOM 237 HG22 THR 15 -12.533 19.519 21.339 1.00 15.40 ATOM 238 HG23 THR 15 -12.097 18.329 22.563 1.00 34.11 ATOM 239 C THR 15 -14.521 20.569 22.727 1.00 1.15 ATOM 240 O THR 15 -14.946 19.663 22.011 1.00 42.51 ATOM 241 N ALA 16 -14.894 21.837 22.589 1.00 40.13 ATOM 242 HN ALA 16 -14.526 22.524 23.190 1.00 37.12 ATOM 243 CA ALA 16 -15.844 22.246 21.562 1.00 61.15 ATOM 244 HA ALA 16 -16.144 21.376 20.987 1.00 50.40 ATOM 245 CB ALA 16 -17.103 22.812 22.202 1.00 62.30 ATOM 246 HB1 ALA 16 -17.823 23.058 21.434 1.00 13.43 ATOM 247 HB2 ALA 16 -16.857 23.702 22.765 1.00 31.41 ATOM 248 HB3 ALA 16 -17.528 22.075 22.867 1.00 50.35 ATOM 249 C ALA 16 -15.224 23.269 20.616 1.00 64.32 ATOM 250 O ALA 16 -14.878 24.377 21.025 1.00 24.14 ATOM 251 N ARG 17 -15.085 22.889 19.350 1.00 54.54 ATOM 252 HN ARG 17 -15.411 22.006 19.079 1.00 37.12 ATOM 253 CA ARG 17 -14.505 23.774 18.346 1.00 23.43 ATOM 254 HA ARG 17 -14.163 24.685 18.822 1.00 72.41 ATOM 255 CB ARG 17 -13.303 23.102 17.678 1.00 13.32 ATOM 256 HB1 ARG 17 -12.489 23.082 18.390 1.00 37.12 ATOM 257 HB2 ARG 17 -12.995 23.683 16.817 1.00 62.01 ATOM 258 CG ARG 17 -13.575 21.677 17.227 1.00 75.25 ATOM 259 HG1 ARG 17 -14.333 21.689 16.461 1.00 37.12 ATOM 260 HG2 ARG 17 -13.912 21.091 18.064 1.00 54.01 ATOM 261 CD ARG 17 -12.324 21.023 16.661 1.00 13.03 ATOM 262 HD1 ARG 17 -11.688 20.710 17.476 1.00 37.12 ATOM 263 HD2 ARG 17 -11.791 21.747 16.055 1.00 71.52 ATOM 264 NE ARG 17 -12.641 19.875 15.817 1.00 62.55 ATOM 265 HE ARG 17 -12.583 20.001 14.844 1.00 2.42 ATOM 266 CZ ARG 17 -12.998 18.687 16.294 1.00 44.32 ATOM 267 NH1 ARG 17 -13.083 18.494 17.603 1.00 72.23 ATOM 268 HH11 ARG 17 -12.884 19.219 18.255 1.00 15.14 ATOM 269 HH12 ARG 17 -13.355 17.594 17.951 1.00 13.14 ATOM 270 NH2 ARG 17 -13.270 17.691 15.461 1.00 31.21 ATOM 271 HH21 ARG 17 -13.207 17.831 14.471 1.00 62.02 ATOM 272 HH22 ARG 17 -13.539 16.794 15.818 1.00 33.22 ATOM 273 C ARG 17 -15.540 24.154 17.292 1.00 71.41 ATOM 274 O ARG 17 -15.617 25.307 16.870 1.00 35.24 ATOM 275 N GLY 18 -16.334 23.174 16.869 1.00 12.35 ATOM 276 HN GLY 18 -16.248 22.269 17.239 1.00 37.12 ATOM 277 CA GLY 18 -17.354 23.426 15.868 1.00 64.34 ATOM 278 HA1 GLY 18 -17.080 24.286 15.267 1.00 37.12 ATOM 279 HA2 GLY 18 -18.282 23.647 16.374 1.00 40.32 ATOM 280 C GLY 18 -17.555 22.247 14.937 1.00 62.44 ATOM 281 O GLY 18 -16.615 21.798 14.282 1.00 43.04 ATOM 282 N GLU 19 -18.784 21.743 14.879 1.00 23.21 ATOM 283 HN GLU 19 -19.504 22.154 15.415 1.00 37.12 ATOM 284 CA GLU 19 -19.103 20.607 14.023 1.00 75.41 ATOM 285 HA GLU 19 -18.241 19.952 13.988 1.00 71.35 ATOM 286 CB GLU 19 -20.288 19.825 14.596 1.00 42.32 ATOM 287 HB1 GLU 19 -21.111 20.506 14.754 1.00 37.12 ATOM 288 HB2 GLU 19 -19.998 19.399 15.545 1.00 51.02 ATOM 289 CG GLU 19 -20.767 18.699 13.695 1.00 1.22 ATOM 290 HG1 GLU 19 -21.199 19.115 12.797 1.00 37.12 ATOM 291 HG2 GLU 19 -21.524 18.138 14.224 1.00 64.34 ATOM 292 CD GLU 19 -19.652 17.746 13.310 1.00 51.34 ATOM 293 OE1 GLU 19 -18.819 17.424 14.183 1.00 51.53 ATOM 294 OE2 GLU 19 -19.612 17.323 12.136 1.00 74.24 ATOM 295 C GLU 19 -19.423 21.068 12.604 1.00 61.33 ATOM 296 O GLU 19 -19.180 20.347 11.636 1.00 5.32 ATOM 297 N ALA 20 -19.970 22.273 12.489 1.00 51.43 ATOM 298 HN ALA 20 -20.170 22.799 13.297 1.00 37.12 ATOM 299 CA ALA 20 -20.322 22.832 11.189 1.00 23.20 ATOM 300 HA ALA 20 -19.448 22.782 10.550 1.00 32.12 ATOM 301 CB ALA 20 -21.426 22.009 10.542 1.00 31.13 ATOM 302 HB1 ALA 20 -21.680 22.432 9.579 1.00 4.24 ATOM 303 HB2 ALA 20 -22.300 22.013 11.177 1.00 75.02 ATOM 304 HB3 ALA 20 -21.090 20.997 10.406 1.00 11.02 ATOM 305 C ALA 20 -20.751 24.290 11.316 1.00 62.42 ATOM 306 O ALA 20 -21.159 24.736 12.387 1.00 33.31 ATOM 307 N GLY 21 -20.655 25.028 10.214 1.00 5.23 ATOM 308 HN GLY 21 -20.323 24.627 9.379 1.00 37.12 ATOM 309 CA GLY 21 -21.036 26.428 10.224 1.00 3.44 ATOM 310 HA1 GLY 21 -20.215 27.006 9.824 1.00 37.12 ATOM 311 HA2 GLY 21 -21.228 26.767 11.235 1.00 5.05 ATOM 312 C GLY 21 -22.268 26.700 9.384 1.00 4.10 ATOM 313 O GLY 21 -23.381 26.766 9.905 1.00 22.13 ATOM 314 N SER 22 -22.069 26.860 8.080 1.00 63.14 ATOM 315 HN SER 22 -21.175 26.788 7.726 1.00 37.12 ATOM 316 CA SER 22 -23.172 27.132 7.166 1.00 71.32 ATOM 317 HA SER 22 -24.014 27.518 7.729 1.00 44.42 ATOM 318 CB SER 22 -22.762 28.187 6.136 1.00 23.55 ATOM 319 HB1 SER 22 -23.648 28.606 5.684 1.00 37.12 ATOM 320 HB2 SER 22 -22.147 27.741 5.368 1.00 21.33 ATOM 321 OG SER 22 -22.032 29.237 6.746 1.00 24.00 ATOM 322 HG SER 22 -21.723 29.846 6.072 1.00 64.11 ATOM 323 C SER 22 -23.616 25.857 6.455 1.00 65.40 ATOM 324 O SER 22 -23.110 24.769 6.734 1.00 3.50 ATOM 325 N ARG 23 -24.564 25.999 5.535 1.00 31.21 ATOM 326 HN ARG 23 -24.943 26.892 5.359 1.00 37.12 ATOM 327 CA ARG 23 -25.077 24.859 4.784 1.00 14.35 ATOM 328 HA ARG 23 -25.275 24.052 5.479 1.00 61.42 ATOM 329 CB ARG 23 -26.384 25.232 4.081 1.00 62.50 ATOM 330 HB1 ARG 23 -26.711 24.387 3.484 1.00 37.12 ATOM 331 HB2 ARG 23 -26.201 26.074 3.427 1.00 54.15 ATOM 332 CG ARG 23 -27.504 25.609 5.036 1.00 1.54 ATOM 333 HG1 ARG 23 -27.315 26.600 5.422 1.00 37.12 ATOM 334 HG2 ARG 23 -27.530 24.901 5.854 1.00 34.51 ATOM 335 CD ARG 23 -28.856 25.600 4.341 1.00 52.40 ATOM 336 HD1 ARG 23 -28.914 24.729 3.697 1.00 37.12 ATOM 337 HD2 ARG 23 -28.945 26.495 3.743 1.00 62.54 ATOM 338 NE ARG 23 -29.962 25.556 5.294 1.00 24.33 ATOM 339 HE ARG 23 -29.755 25.690 6.249 1.00 54.53 ATOM 340 CZ ARG 23 -31.226 25.350 4.944 1.00 54.41 ATOM 341 NH1 ARG 23 -31.544 25.172 3.669 1.00 21.41 ATOM 342 HH11 ARG 23 -30.851 25.190 2.951 1.00 1.55 ATOM 343 HH12 ARG 23 -32.501 25.015 3.415 1.00 21.00 ATOM 344 NH2 ARG 23 -32.177 25.323 5.870 1.00 44.33 ATOM 345 HH21 ARG 23 -31.944 25.458 6.835 1.00 60.53 ATOM 346 HH22 ARG 23 -33.132 25.168 5.608 1.00 21.00 ATOM 347 C ARG 23 -24.055 24.378 3.760 1.00 45.04 ATOM 348 O ARG 23 -23.737 23.190 3.695 1.00 0.33 ATOM 349 N ASP 24 -23.543 25.308 2.960 1.00 32.23 ATOM 350 HN ASP 24 -23.835 26.246 3.061 1.00 37.12 ATOM 351 CA ASP 24 -22.556 24.979 1.939 1.00 40.03 ATOM 352 HA ASP 24 -22.947 24.167 1.339 1.00 31.14 ATOM 353 CB ASP 24 -22.310 26.185 1.030 1.00 24.25 ATOM 354 HB1 ASP 24 -23.260 26.574 0.693 1.00 37.12 ATOM 355 HB2 ASP 24 -21.731 25.870 0.174 1.00 2.12 ATOM 356 CG ASP 24 -21.557 27.296 1.735 1.00 3.11 ATOM 357 OD1 ASP 24 -20.319 27.187 1.860 1.00 32.14 ATOM 358 OD2 ASP 24 -22.205 28.275 2.162 1.00 30.40 ATOM 359 C ASP 24 -21.244 24.529 2.575 1.00 14.50 ATOM 360 O ASP 24 -20.484 23.767 1.979 1.00 12.40 ATOM 361 N GLU 25 -20.987 25.008 3.788 1.00 25.02 ATOM 362 HN GLU 25 -21.617 25.635 4.212 1.00 37.12 ATOM 363 CA GLU 25 -19.766 24.656 4.504 1.00 44.23 ATOM 364 HA GLU 25 -18.927 25.054 3.947 1.00 33.30 ATOM 365 CB GLU 25 -19.779 25.263 5.908 1.00 24.34 ATOM 366 HB1 GLU 25 -19.152 24.662 6.558 1.00 37.12 ATOM 367 HB2 GLU 25 -20.787 25.240 6.288 1.00 43.33 ATOM 368 CG GLU 25 -19.287 26.700 5.956 1.00 60.44 ATOM 369 HG1 GLU 25 -20.125 27.358 5.803 1.00 37.12 ATOM 370 HG2 GLU 25 -18.560 26.860 5.170 1.00 1.24 ATOM 371 CD GLU 25 -18.633 27.049 7.278 1.00 10.42 ATOM 372 OE1 GLU 25 -18.995 28.093 7.861 1.00 54.12 ATOM 373 OE2 GLU 25 -17.759 26.280 7.730 1.00 14.55 ATOM 374 C GLU 25 -19.605 23.141 4.593 1.00 2.33 ATOM 375 O GLU 25 -18.498 22.616 4.472 1.00 31.22 ATOM 376 N ARG 26 -20.717 22.446 4.807 1.00 60.22 ATOM 377 HN ARG 26 -21.575 22.920 4.917 1.00 37.12 ATOM 378 CA ARG 26 -20.700 20.992 4.915 1.00 70.03 ATOM 379 HA ARG 26 -20.150 20.726 5.803 1.00 35.02 ATOM 380 CB ARG 26 -22.127 20.451 5.022 1.00 62.41 ATOM 381 HB1 ARG 26 -22.161 19.430 4.655 1.00 37.12 ATOM 382 HB2 ARG 26 -22.775 21.054 4.403 1.00 72.23 ATOM 383 CG ARG 26 -22.681 20.471 6.437 1.00 52.30 ATOM 384 HG1 ARG 26 -23.754 20.552 6.382 1.00 37.12 ATOM 385 HG2 ARG 26 -22.287 21.327 6.971 1.00 51.51 ATOM 386 CD ARG 26 -22.315 19.206 7.197 1.00 1.44 ATOM 387 HD1 ARG 26 -21.253 19.030 7.093 1.00 37.12 ATOM 388 HD2 ARG 26 -22.852 18.371 6.771 1.00 10.11 ATOM 389 NE ARG 26 -22.627 19.313 8.620 1.00 3.31 ATOM 390 HE ARG 26 -21.873 19.405 9.239 1.00 51.11 ATOM 391 CZ ARG 26 -23.863 19.284 9.106 1.00 42.02 ATOM 392 NH1 ARG 26 -24.897 19.151 8.287 1.00 12.22 ATOM 393 HH11 ARG 26 -24.784 19.061 7.305 1.00 51.31 ATOM 394 HH12 ARG 26 -25.825 19.141 8.666 1.00 40.25 ATOM 395 NH2 ARG 26 -24.066 19.387 10.413 1.00 41.10 ATOM 396 HH21 ARG 26 -23.288 19.487 11.037 1.00 5.12 ATOM 397 HH22 ARG 26 -24.998 19.366 10.782 1.00 13.14 ATOM 398 C ARG 26 -19.996 20.366 3.714 1.00 21.04 ATOM 399 O ARG 26 -19.269 19.382 3.852 1.00 31.14 ATOM 400 N ARG 27 -20.217 20.943 2.538 1.00 53.02 ATOM 401 HN ARG 27 -20.816 21.725 2.484 1.00 37.12 ATOM 402 CA ARG 27 -19.606 20.441 1.313 1.00 23.24 ATOM 403 HA ARG 27 -19.778 19.371 1.261 1.00 33.21 ATOM 404 CB ARG 27 -20.235 21.112 0.091 1.00 1.13 ATOM 405 HB1 ARG 27 -19.515 21.150 -0.699 1.00 37.12 ATOM 406 HB2 ARG 27 -20.507 22.122 0.347 1.00 50.25 ATOM 407 CG ARG 27 -21.477 20.402 -0.422 1.00 63.30 ATOM 408 HG1 ARG 27 -22.178 20.291 0.395 1.00 37.12 ATOM 409 HG2 ARG 27 -21.194 19.427 -0.790 1.00 43.14 ATOM 410 CD ARG 27 -22.138 21.180 -1.548 1.00 52.15 ATOM 411 HD1 ARG 27 -21.737 20.810 -2.478 1.00 37.12 ATOM 412 HD2 ARG 27 -21.913 22.236 -1.451 1.00 35.14 ATOM 413 NE ARG 27 -23.589 21.013 -1.551 1.00 11.03 ATOM 414 HE ARG 27 -24.021 20.719 -0.715 1.00 60.32 ATOM 415 CZ ARG 27 -24.354 21.242 -2.613 1.00 4.14 ATOM 416 NH1 ARG 27 -23.808 21.645 -3.752 1.00 10.32 ATOM 417 HH11 ARG 27 -22.826 21.789 -3.841 1.00 62.24 ATOM 418 HH12 ARG 27 -24.394 21.811 -4.548 1.00 42.03 ATOM 419 NH2 ARG 27 -25.667 21.067 -2.536 1.00 43.44 ATOM 420 HH21 ARG 27 -26.085 20.762 -1.678 1.00 45.34 ATOM 421 HH22 ARG 27 -26.246 21.239 -3.335 1.00 11.22 ATOM 422 C ARG 27 -18.099 20.681 1.320 1.00 41.51 ATOM 423 O ARG 27 -17.336 19.920 0.725 1.00 12.45 ATOM 424 N ALA 28 -17.678 21.745 1.996 1.00 42.41 ATOM 425 HN ALA 28 -18.329 22.337 2.424 1.00 37.12 ATOM 426 CA ALA 28 -16.263 22.086 2.081 1.00 20.40 ATOM 427 HA ALA 28 -15.837 22.034 1.086 1.00 44.11 ATOM 428 CB ALA 28 -16.092 23.511 2.585 1.00 53.13 ATOM 429 HB1 ALA 28 -16.407 23.584 3.615 1.00 73.41 ATOM 430 HB2 ALA 28 -16.696 24.167 1.983 1.00 65.53 ATOM 431 HB3 ALA 28 -15.054 23.801 2.503 1.00 44.33 ATOM 432 C ALA 28 -15.517 21.110 2.985 1.00 13.14 ATOM 433 O ALA 28 -14.593 20.424 2.547 1.00 31.32 ATOM 434 N LEU 29 -15.923 21.054 4.249 1.00 74.20 ATOM 435 HN LEU 29 -16.648 21.653 4.538 1.00 37.12 ATOM 436 CA LEU 29 -15.293 20.162 5.216 1.00 1.12 ATOM 437 HA LEU 29 -14.248 20.430 5.290 1.00 4.05 ATOM 438 CB LEU 29 -15.942 20.328 6.591 1.00 1.44 ATOM 439 HB1 LEU 29 -15.562 21.253 7.006 1.00 37.12 ATOM 440 HB2 LEU 29 -15.595 19.522 7.232 1.00 54.34 ATOM 441 CG LEU 29 -17.470 20.373 6.611 1.00 32.33 ATOM 442 HG LEU 29 -17.863 20.326 5.608 1.00 5.13 ATOM 443 CD1 LEU 29 -18.029 19.173 7.360 1.00 74.45 ATOM 444 HD11 LEU 29 -19.108 19.211 7.351 1.00 1.14 ATOM 445 HD12 LEU 29 -17.679 19.185 8.383 1.00 74.32 ATOM 446 HD13 LEU 29 -17.701 18.261 6.880 1.00 51.12 ATOM 447 CD2 LEU 29 -17.958 21.670 7.240 1.00 60.02 ATOM 448 HD21 LEU 29 -17.557 22.512 6.696 1.00 13.01 ATOM 449 HD22 LEU 29 -17.624 21.722 8.268 1.00 0.13 ATOM 450 HD23 LEU 29 -19.035 21.710 7.216 1.00 75.04 ATOM 451 C LEU 29 -15.396 18.709 4.765 1.00 71.31 ATOM 452 O LEU 29 -14.554 17.880 5.109 1.00 44.41 ATOM 453 N ALA 30 -16.434 18.407 3.991 1.00 45.10 ATOM 454 HN ALA 30 -17.103 19.095 3.774 1.00 37.12 ATOM 455 CA ALA 30 -16.644 17.055 3.489 1.00 55.11 ATOM 456 HA ALA 30 -16.590 16.367 4.325 1.00 54.12 ATOM 457 CB ALA 30 -18.030 16.931 2.873 1.00 33.13 ATOM 458 HB1 ALA 30 -18.774 17.023 3.648 1.00 1.13 ATOM 459 HB2 ALA 30 -18.137 15.967 2.393 1.00 34.03 ATOM 460 HB3 ALA 30 -18.172 17.714 2.144 1.00 24.45 ATOM 461 C ALA 30 -15.575 16.675 2.470 1.00 31.44 ATOM 462 O ALA 30 -15.132 15.527 2.421 1.00 55.54 ATOM 463 N MET 31 -15.165 17.644 1.660 1.00 51.54 ATOM 464 HN MET 31 -15.552 18.547 1.739 1.00 37.12 ATOM 465 CA MET 31 -14.147 17.410 0.642 1.00 2.13 ATOM 466 HA MET 31 -14.133 16.358 0.393 1.00 71.42 ATOM 467 CB MET 31 -14.460 18.218 -0.619 1.00 21.32 ATOM 468 HB1 MET 31 -13.628 18.149 -1.307 1.00 37.12 ATOM 469 HB2 MET 31 -14.593 19.253 -0.339 1.00 54.12 ATOM 470 CG MET 31 -15.719 17.760 -1.336 1.00 55.22 ATOM 471 HG1 MET 31 -15.897 18.422 -2.161 1.00 37.12 ATOM 472 HG2 MET 31 -16.554 17.793 -0.654 1.00 73.34 ATOM 473 SD MET 31 -15.571 16.092 -2.004 1.00 53.03 ATOM 474 CE MET 31 -14.497 16.383 -3.407 1.00 43.43 ATOM 475 HE1 MET 31 -13.918 15.494 -3.607 1.00 21.03 ATOM 476 HE2 MET 31 -13.834 17.204 -3.198 1.00 65.33 ATOM 477 HE3 MET 31 -15.097 16.620 -4.273 1.00 72.20 ATOM 478 C MET 31 -12.762 17.778 1.165 1.00 64.22 ATOM 479 O MET 31 -11.752 17.532 0.504 1.00 11.31 ATOM 480 N LYS 32 -12.720 18.368 2.355 1.00 74.14 ATOM 481 HN LYS 32 -13.540 18.562 2.842 1.00 37.12 ATOM 482 CA LYS 32 -11.459 18.769 2.967 1.00 74.10 ATOM 483 HA LYS 32 -11.679 19.181 3.941 1.00 34.32 ATOM 484 CB LYS 32 -10.542 17.556 3.135 1.00 63.21 ATOM 485 HB1 LYS 32 -9.723 17.835 3.782 1.00 37.12 ATOM 486 HB2 LYS 32 -10.140 17.266 2.173 1.00 51.14 ATOM 487 CG LYS 32 -11.234 16.350 3.746 1.00 25.15 ATOM 488 HG1 LYS 32 -12.099 16.098 3.155 1.00 37.12 ATOM 489 HG2 LYS 32 -11.544 16.599 4.750 1.00 62.51 ATOM 490 CD LYS 32 -10.310 15.145 3.799 1.00 22.54 ATOM 491 HD1 LYS 32 -9.447 15.388 4.404 1.00 37.12 ATOM 492 HD2 LYS 32 -9.991 14.899 2.796 1.00 42.05 ATOM 493 CE LYS 32 -11.007 13.934 4.401 1.00 71.12 ATOM 494 HE1 LYS 32 -11.270 14.156 5.425 1.00 37.12 ATOM 495 HE2 LYS 32 -10.327 13.096 4.379 1.00 1.42 ATOM 496 NZ LYS 32 -12.241 13.574 3.649 1.00 40.14 ATOM 497 HZ1 LYS 32 -12.570 12.633 3.946 1.00 13.32 ATOM 498 HZ2 LYS 32 -12.058 13.552 2.623 1.00 14.44 ATOM 499 HZ3 LYS 32 -12.996 14.263 3.842 1.00 40.01 ATOM 500 C LYS 32 -10.762 19.835 2.128 1.00 0.01 ATOM 501 O LYS 32 -9.660 19.618 1.624 1.00 43.12 ATOM 502 N ILE 33 -11.410 20.986 1.984 1.00 32.04 ATOM 503 HN ILE 33 -12.287 21.106 2.421 1.00 37.12 ATOM 504 CA ILE 33 -10.850 22.086 1.209 1.00 71.21 ATOM 505 HA ILE 33 -10.369 21.653 0.348 1.00 25.20 ATOM 506 CB ILE 33 -11.950 23.045 0.716 1.00 31.33 ATOM 507 HB ILE 33 -12.432 23.487 1.577 1.00 11.53 ATOM 508 CG1 ILE 33 -12.996 22.280 -0.097 1.00 55.42 ATOM 509 HG11 ILE 33 -13.771 22.965 -0.412 1.00 37.12 ATOM 510 HG12 ILE 33 -13.439 21.510 0.518 1.00 44.44 ATOM 511 CG2 ILE 33 -11.343 24.166 -0.113 1.00 5.44 ATOM 512 HG21 ILE 33 -10.847 23.768 -0.979 1.00 22.44 ATOM 513 HG22 ILE 33 -10.643 24.712 0.471 1.00 51.34 ATOM 514 HG23 ILE 33 -12.127 24.837 -0.435 1.00 24.03 ATOM 515 CD1 ILE 33 -12.434 21.618 -1.335 1.00 63.31 ATOM 516 HD11 ILE 33 -11.996 22.355 -1.987 1.00 5.12 ATOM 517 HD12 ILE 33 -13.236 21.120 -1.859 1.00 72.04 ATOM 518 HD13 ILE 33 -11.690 20.888 -1.062 1.00 14.41 ATOM 519 C ILE 33 -9.834 22.874 2.028 1.00 45.12 ATOM 520 O ILE 33 -10.074 23.236 3.180 1.00 64.41 ATOM 521 N PRO 34 -8.670 23.149 1.420 1.00 0.40 ATOM 522 CA PRO 34 -7.594 23.900 2.074 1.00 42.24 ATOM 523 HA PRO 34 -7.327 23.464 3.026 1.00 65.32 ATOM 524 CB PRO 34 -6.422 23.761 1.099 1.00 41.53 ATOM 525 HB1 PRO 34 -5.815 22.917 1.390 1.00 37.12 ATOM 526 HB2 PRO 34 -5.813 24.658 1.096 1.00 2.13 ATOM 527 CG PRO 34 -7.058 23.527 -0.228 1.00 33.12 ATOM 528 HG1 PRO 34 -6.395 22.950 -0.855 1.00 37.12 ATOM 529 HG2 PRO 34 -7.284 24.458 -0.689 1.00 44.33 ATOM 530 CD PRO 34 -8.316 22.750 0.048 1.00 64.41 ATOM 531 HD1 PRO 34 -8.119 21.689 -0.004 1.00 37.12 ATOM 532 HD2 PRO 34 -9.067 23.022 -0.659 1.00 54.32 ATOM 533 C PRO 34 -7.950 25.369 2.273 1.00 50.43 ATOM 534 O PRO 34 -7.656 25.954 3.315 1.00 3.14 ATOM 535 N PHE 35 -8.586 25.961 1.267 1.00 64.04 ATOM 536 HN PHE 35 -8.823 25.437 0.487 1.00 37.12 ATOM 537 CA PHE 35 -8.982 27.363 1.331 1.00 23.14 ATOM 538 HA PHE 35 -8.358 27.855 2.066 1.00 42.23 ATOM 539 CB PHE 35 -8.755 28.042 -0.021 1.00 31.10 ATOM 540 HB1 PHE 35 -7.689 28.142 -0.180 1.00 37.12 ATOM 541 HB2 PHE 35 -9.193 29.031 -0.016 1.00 33.31 ATOM 542 CG PHE 35 -9.334 27.280 -1.179 1.00 15.23 ATOM 543 CD1 PHE 35 -8.557 26.384 -1.894 1.00 23.10 ATOM 544 HD1 PHE 35 -7.522 26.242 -1.621 1.00 44.04 ATOM 545 CD2 PHE 35 -10.657 27.460 -1.551 1.00 62.03 ATOM 546 HD2 PHE 35 -11.276 28.156 -1.003 1.00 63.21 ATOM 547 CE1 PHE 35 -9.087 25.682 -2.960 1.00 52.41 ATOM 548 HE1 PHE 35 -8.468 24.988 -3.503 1.00 41.33 ATOM 549 CE2 PHE 35 -11.193 26.761 -2.616 1.00 61.14 ATOM 550 HE2 PHE 35 -12.219 26.910 -2.899 1.00 14.44 ATOM 551 CZ PHE 35 -10.407 25.870 -3.321 1.00 12.20 ATOM 552 HZ PHE 35 -10.822 25.325 -4.153 1.00 22.43 ATOM 553 C PHE 35 -10.446 27.496 1.741 1.00 5.11 ATOM 554 O PHE 35 -11.254 26.587 1.554 1.00 30.42 ATOM 555 N PRO 36 -10.796 28.657 2.314 1.00 4.14 ATOM 556 CA PRO 36 -12.163 28.938 2.763 1.00 24.10 ATOM 557 HA PRO 36 -12.526 28.165 3.428 1.00 73.12 ATOM 558 CB PRO 36 -12.020 30.251 3.536 1.00 45.40 ATOM 559 HB1 PRO 36 -11.876 30.034 4.584 1.00 37.12 ATOM 560 HB2 PRO 36 -12.901 30.867 3.415 1.00 71.51 ATOM 561 CG PRO 36 -10.812 30.903 2.955 1.00 13.12 ATOM 562 HG1 PRO 36 -10.345 31.539 3.692 1.00 37.12 ATOM 563 HG2 PRO 36 -11.090 31.469 2.095 1.00 4.23 ATOM 564 CD PRO 36 -9.884 29.785 2.568 1.00 1.33 ATOM 565 HD1 PRO 36 -9.209 29.559 3.380 1.00 37.12 ATOM 566 HD2 PRO 36 -9.333 30.059 1.689 1.00 2.04 ATOM 567 C PRO 36 -13.132 29.108 1.598 1.00 44.30 ATOM 568 O PRO 36 -12.733 29.482 0.494 1.00 21.41 ATOM 569 N THR 37 -14.408 28.833 1.850 1.00 24.11 ATOM 570 HN THR 37 -14.670 28.575 2.765 1.00 37.12 ATOM 571 CA THR 37 -15.433 28.955 0.822 1.00 14.12 ATOM 572 HA THR 37 -15.071 28.481 -0.073 1.00 54.44 ATOM 573 CB THR 37 -16.736 28.249 1.242 1.00 34.11 ATOM 574 HB THR 37 -17.399 28.212 0.389 1.00 41.32 ATOM 575 OG1 THR 37 -17.371 28.978 2.298 1.00 5.55 ATOM 576 HG1 THR 37 -18.314 28.793 2.297 1.00 31.40 ATOM 577 CG2 THR 37 -16.457 26.825 1.699 1.00 71.02 ATOM 578 HG21 THR 37 -17.394 26.320 1.880 1.00 15.31 ATOM 579 HG22 THR 37 -15.880 26.839 2.610 1.00 12.41 ATOM 580 HG23 THR 37 -15.909 26.294 0.933 1.00 43.10 ATOM 581 C THR 37 -15.737 30.418 0.519 1.00 24.01 ATOM 582 O THR 37 -15.964 30.789 -0.633 1.00 32.14 ATOM 583 N ASP 38 -15.737 31.245 1.559 1.00 74.32 ATOM 584 HN ASP 38 -15.596 30.877 2.462 1.00 37.12 ATOM 585 CA ASP 38 -16.011 32.669 1.403 1.00 30.32 ATOM 586 HA ASP 38 -17.021 32.777 1.033 1.00 13.14 ATOM 587 CB ASP 38 -15.901 33.381 2.752 1.00 44.40 ATOM 588 HB1 ASP 38 -16.749 33.104 3.361 1.00 37.12 ATOM 589 HB2 ASP 38 -15.911 34.453 2.605 1.00 44.34 ATOM 590 CG ASP 38 -14.636 33.010 3.501 1.00 42.40 ATOM 591 OD1 ASP 38 -13.559 33.528 3.139 1.00 62.14 ATOM 592 OD2 ASP 38 -14.723 32.202 4.449 1.00 23.11 ATOM 593 C ASP 38 -15.051 33.300 0.400 1.00 3.11 ATOM 594 O ASP 38 -15.411 34.231 -0.320 1.00 14.42 ATOM 595 N LYS 39 -13.825 32.788 0.359 1.00 74.22 ATOM 596 HN LYS 39 -13.579 32.057 0.972 1.00 37.12 ATOM 597 CA LYS 39 -12.812 33.300 -0.556 1.00 2.35 ATOM 598 HA LYS 39 -12.780 34.373 -0.464 1.00 13.45 ATOM 599 CB LYS 39 -11.435 32.744 -0.187 1.00 4.04 ATOM 600 HB1 LYS 39 -11.470 31.664 -0.211 1.00 37.12 ATOM 601 HB2 LYS 39 -11.205 33.069 0.817 1.00 4.15 ATOM 602 CG LYS 39 -10.322 33.214 -1.108 1.00 32.31 ATOM 603 HG1 LYS 39 -10.408 34.280 -1.266 1.00 37.12 ATOM 604 HG2 LYS 39 -10.430 32.699 -2.046 1.00 50.44 ATOM 605 CD LYS 39 -8.952 32.884 -0.540 1.00 43.04 ATOM 606 HD1 LYS 39 -8.275 32.703 -1.362 1.00 37.12 ATOM 607 HD2 LYS 39 -9.007 31.996 0.077 1.00 54.43 ATOM 608 CE LYS 39 -8.403 34.031 0.294 1.00 51.52 ATOM 609 HE1 LYS 39 -9.157 34.348 1.004 1.00 37.12 ATOM 610 HE2 LYS 39 -8.161 34.853 -0.363 1.00 13.54 ATOM 611 NZ LYS 39 -7.179 33.636 1.044 1.00 33.14 ATOM 612 HZ1 LYS 39 -6.430 33.339 0.384 1.00 72.14 ATOM 613 HZ2 LYS 39 -7.389 32.848 1.691 1.00 21.24 ATOM 614 HZ3 LYS 39 -6.831 34.441 1.603 1.00 13.30 ATOM 615 C LYS 39 -13.148 32.938 -1.999 1.00 1.43 ATOM 616 O LYS 39 -12.731 33.623 -2.933 1.00 41.42 ATOM 617 N ILE 40 -13.904 31.860 -2.173 1.00 14.14 ATOM 618 HN ILE 40 -14.202 31.350 -1.398 1.00 37.12 ATOM 619 CA ILE 40 -14.298 31.410 -3.502 1.00 31.01 ATOM 620 HA ILE 40 -13.400 31.287 -4.098 1.00 62.14 ATOM 621 CB ILE 40 -15.028 30.055 -3.444 1.00 54.33 ATOM 622 HB ILE 40 -15.924 30.173 -2.858 1.00 25.11 ATOM 623 CG1 ILE 40 -14.136 28.997 -2.792 1.00 42.42 ATOM 624 HG11 ILE 40 -13.813 29.339 -1.820 1.00 37.12 ATOM 625 HG12 ILE 40 -13.267 28.829 -3.411 1.00 72.41 ATOM 626 CG2 ILE 40 -15.444 29.618 -4.841 1.00 21.31 ATOM 627 HG21 ILE 40 -15.042 28.647 -5.081 1.00 35.01 ATOM 628 HG22 ILE 40 -15.117 30.312 -5.592 1.00 14.30 ATOM 629 HG23 ILE 40 -16.513 29.557 -4.861 1.00 72.31 ATOM 630 CD1 ILE 40 -14.824 27.665 -2.593 1.00 15.44 ATOM 631 HD11 ILE 40 -15.059 27.224 -3.544 1.00 12.43 ATOM 632 HD12 ILE 40 -15.738 27.812 -2.036 1.00 74.12 ATOM 633 HD13 ILE 40 -14.176 27.003 -2.040 1.00 61.00 ATOM 634 C ILE 40 -15.201 32.433 -4.184 1.00 24.33 ATOM 635 O ILE 40 -15.142 32.616 -5.400 1.00 20.33 ATOM 636 N VAL 41 -16.035 33.099 -3.392 1.00 23.04 ATOM 637 HN VAL 41 -16.058 32.905 -2.427 1.00 37.12 ATOM 638 CA VAL 41 -16.948 34.106 -3.918 1.00 11.33 ATOM 639 HA VAL 41 -17.085 33.937 -4.982 1.00 51.03 ATOM 640 CB VAL 41 -18.331 34.016 -3.245 1.00 42.20 ATOM 641 HB VAL 41 -18.229 34.289 -2.202 1.00 32.14 ATOM 642 CG1 VAL 41 -19.306 34.985 -3.896 1.00 43.41 ATOM 643 HG11 VAL 41 -18.931 35.994 -3.859 1.00 54.44 ATOM 644 HG12 VAL 41 -20.249 34.946 -3.369 1.00 1.14 ATOM 645 HG13 VAL 41 -19.463 34.690 -4.918 1.00 12.34 ATOM 646 CG2 VAL 41 -18.861 32.592 -3.307 1.00 31.23 ATOM 647 HG21 VAL 41 -19.176 32.353 -4.315 1.00 22.21 ATOM 648 HG22 VAL 41 -19.688 32.514 -2.641 1.00 22.52 ATOM 649 HG23 VAL 41 -18.103 31.890 -2.993 1.00 13.20 ATOM 650 C VAL 41 -16.390 35.511 -3.721 1.00 3.14 ATOM 651 O VAL 41 -16.648 36.410 -4.519 1.00 41.34 ATOM 652 N ASN 42 -15.622 35.692 -2.651 1.00 11.02 ATOM 653 HN ASN 42 -15.458 34.944 -2.034 1.00 37.12 ATOM 654 CA ASN 42 -15.026 36.988 -2.348 1.00 53.30 ATOM 655 HA ASN 42 -15.817 37.729 -2.339 1.00 70.25 ATOM 656 CB ASN 42 -14.347 36.953 -0.977 1.00 53.24 ATOM 657 HB1 ASN 42 -13.530 37.665 -0.955 1.00 37.12 ATOM 658 HB2 ASN 42 -13.953 35.976 -0.791 1.00 62.24 ATOM 659 CG ASN 42 -15.297 37.317 0.148 1.00 61.42 ATOM 660 OD1 ASN 42 -14.961 38.110 1.027 1.00 44.00 ATOM 661 ND2 ASN 42 -16.491 36.736 0.125 1.00 61.31 ATOM 662 HD21 ASN 42 -16.719 36.105 -0.583 1.00 64.13 ATOM 663 HD22 ASN 42 -17.116 36.971 0.842 1.00 43.21 ATOM 664 C ASN 42 -14.015 37.386 -3.419 1.00 21.30 ATOM 665 O ASN 42 -13.967 38.540 -3.845 1.00 40.25 ATOM 666 N LEU 43 -13.209 36.422 -3.850 1.00 24.11 ATOM 667 HN LEU 43 -13.288 35.515 -3.470 1.00 37.12 ATOM 668 CA LEU 43 -12.198 36.670 -4.872 1.00 61.01 ATOM 669 HA LEU 43 -11.679 37.572 -4.592 1.00 51.33 ATOM 670 CB LEU 43 -11.212 35.502 -4.937 1.00 0.24 ATOM 671 HB1 LEU 43 -10.769 35.464 -5.925 1.00 37.12 ATOM 672 HB2 LEU 43 -11.771 34.590 -4.804 1.00 44.31 ATOM 673 CG LEU 43 -10.074 35.527 -3.915 1.00 74.10 ATOM 674 HG LEU 43 -10.494 35.615 -2.926 1.00 30.45 ATOM 675 CD1 LEU 43 -9.273 34.236 -3.977 1.00 41.03 ATOM 676 HD11 LEU 43 -8.573 34.208 -3.155 1.00 11.32 ATOM 677 HD12 LEU 43 -8.730 34.187 -4.912 1.00 32.25 ATOM 678 HD13 LEU 43 -9.937 33.388 -3.912 1.00 52.11 ATOM 679 CD2 LEU 43 -9.172 36.729 -4.151 1.00 1.21 ATOM 680 HD21 LEU 43 -8.401 36.751 -3.393 1.00 50.11 ATOM 681 HD22 LEU 43 -9.741 37.642 -4.094 1.00 41.33 ATOM 682 HD23 LEU 43 -8.707 36.652 -5.123 1.00 5.22 ATOM 683 C LEU 43 -12.844 36.880 -6.237 1.00 54.55 ATOM 684 O LEU 43 -13.981 36.476 -6.482 1.00 70.45 ATOM 685 N PRO 44 -12.104 37.527 -7.150 1.00 1.22 ATOM 686 CA PRO 44 -12.584 37.804 -8.507 1.00 63.52 ATOM 687 HA PRO 44 -13.537 38.313 -8.495 1.00 54.42 ATOM 688 CB PRO 44 -11.512 38.735 -9.079 1.00 52.13 ATOM 689 HB1 PRO 44 -11.810 39.761 -8.920 1.00 37.12 ATOM 690 HB2 PRO 44 -11.375 38.561 -10.140 1.00 32.33 ATOM 691 CG PRO 44 -10.279 38.413 -8.308 1.00 12.22 ATOM 692 HG1 PRO 44 -9.625 39.271 -8.271 1.00 37.12 ATOM 693 HG2 PRO 44 -9.800 37.594 -8.777 1.00 33.32 ATOM 694 CD PRO 44 -10.741 38.038 -6.927 1.00 21.02 ATOM 695 HD1 PRO 44 -10.752 38.904 -6.282 1.00 37.12 ATOM 696 HD2 PRO 44 -10.101 37.289 -6.537 1.00 24.53 ATOM 697 C PRO 44 -12.696 36.539 -9.351 1.00 64.52 ATOM 698 O PRO 44 -12.263 35.463 -8.936 1.00 54.03 ATOM 699 N VAL 45 -13.278 36.674 -10.538 1.00 40.34 ATOM 700 HN VAL 45 -13.612 37.561 -10.808 1.00 37.12 ATOM 701 CA VAL 45 -13.445 35.542 -11.442 1.00 12.21 ATOM 702 HA VAL 45 -13.887 34.725 -10.881 1.00 3.22 ATOM 703 CB VAL 45 -14.387 35.891 -12.610 1.00 22.41 ATOM 704 HB VAL 45 -15.310 36.276 -12.200 1.00 11.21 ATOM 705 CG1 VAL 45 -13.771 36.968 -13.489 1.00 51.32 ATOM 706 HG11 VAL 45 -14.506 37.296 -14.209 1.00 33.31 ATOM 707 HG12 VAL 45 -12.912 36.578 -14.018 1.00 30.54 ATOM 708 HG13 VAL 45 -13.468 37.812 -12.887 1.00 25.22 ATOM 709 CG2 VAL 45 -14.708 34.646 -13.424 1.00 14.22 ATOM 710 HG21 VAL 45 -15.548 34.848 -14.072 1.00 73.41 ATOM 711 HG22 VAL 45 -14.952 33.831 -12.764 1.00 53.53 ATOM 712 HG23 VAL 45 -13.853 34.367 -14.026 1.00 43.42 ATOM 713 C VAL 45 -12.104 35.085 -12.004 1.00 22.22 ATOM 714 O VAL 45 -11.944 33.927 -12.391 1.00 44.22 ATOM 715 N ASP 46 -11.143 36.001 -12.045 1.00 23.11 ATOM 716 HN ASP 46 -11.323 36.917 -11.732 1.00 37.12 ATOM 717 CA ASP 46 -9.813 35.692 -12.558 1.00 72.31 ATOM 718 HA ASP 46 -9.930 35.067 -13.438 1.00 2.42 ATOM 719 CB ASP 46 -9.083 36.977 -12.950 1.00 3.12 ATOM 720 HB1 ASP 46 -8.568 37.402 -12.100 1.00 37.12 ATOM 721 HB2 ASP 46 -9.806 37.696 -13.309 1.00 13.21 ATOM 722 CG ASP 46 -8.072 36.754 -14.057 1.00 42.13 ATOM 723 OD1 ASP 46 -8.441 36.917 -15.239 1.00 12.02 ATOM 724 OD2 ASP 46 -6.911 36.416 -13.743 1.00 33.44 ATOM 725 C ASP 46 -8.997 34.923 -11.524 1.00 63.20 ATOM 726 O ASP 46 -8.602 33.780 -11.755 1.00 45.04 ATOM 727 N ASP 47 -8.747 35.558 -10.384 1.00 61.32 ATOM 728 HN ASP 47 -9.097 36.466 -10.258 1.00 37.12 ATOM 729 CA ASP 47 -7.977 34.934 -9.314 1.00 73.32 ATOM 730 HA ASP 47 -6.963 34.804 -9.665 1.00 74.02 ATOM 731 CB ASP 47 -7.965 35.831 -8.076 1.00 4.22 ATOM 732 HB1 ASP 47 -7.411 35.340 -7.286 1.00 37.12 ATOM 733 HB2 ASP 47 -8.975 35.994 -7.747 1.00 72.20 ATOM 734 CG ASP 47 -7.313 37.174 -8.341 1.00 13.31 ATOM 735 OD1 ASP 47 -7.385 38.053 -7.457 1.00 34.02 ATOM 736 OD2 ASP 47 -6.732 37.347 -9.433 1.00 12.10 ATOM 737 C ASP 47 -8.550 33.565 -8.960 1.00 31.12 ATOM 738 O ASP 47 -7.808 32.619 -8.694 1.00 44.51 ATOM 739 N PHE 48 -9.875 33.467 -8.957 1.00 34.43 ATOM 740 HN PHE 48 -10.423 34.261 -9.162 1.00 37.12 ATOM 741 CA PHE 48 -10.548 32.214 -8.633 1.00 13.12 ATOM 742 HA PHE 48 -10.277 31.938 -7.623 1.00 44.24 ATOM 743 CB PHE 48 -12.066 32.393 -8.705 1.00 32.44 ATOM 744 HB1 PHE 48 -12.319 32.856 -9.650 1.00 37.12 ATOM 745 HB2 PHE 48 -12.378 33.044 -7.900 1.00 1.13 ATOM 746 CG PHE 48 -12.828 31.105 -8.576 1.00 31.34 ATOM 747 CD1 PHE 48 -13.628 30.651 -9.612 1.00 62.21 ATOM 748 HD1 PHE 48 -13.704 31.230 -10.522 1.00 43.24 ATOM 749 CD2 PHE 48 -12.744 30.348 -7.418 1.00 71.43 ATOM 750 HD2 PHE 48 -12.124 30.689 -6.600 1.00 50.33 ATOM 751 CE1 PHE 48 -14.330 29.466 -9.496 1.00 15.45 ATOM 752 HE1 PHE 48 -14.950 29.124 -10.311 1.00 0.14 ATOM 753 CE2 PHE 48 -13.444 29.162 -7.296 1.00 52.01 ATOM 754 HE2 PHE 48 -13.364 28.598 -6.391 1.00 31.54 ATOM 755 CZ PHE 48 -14.238 28.720 -8.337 1.00 4.53 ATOM 756 HZ PHE 48 -14.787 27.795 -8.246 1.00 61.01 ATOM 757 C PHE 48 -10.110 31.101 -9.580 1.00 35.30 ATOM 758 O PHE 48 -9.733 30.014 -9.145 1.00 34.33 ATOM 759 N ASN 49 -10.165 31.381 -10.878 1.00 65.01 ATOM 760 HN ASN 49 -10.484 32.270 -11.167 1.00 37.12 ATOM 761 CA ASN 49 -9.775 30.404 -11.888 1.00 20.51 ATOM 762 HA ASN 49 -10.476 29.580 -11.843 1.00 4.32 ATOM 763 CB ASN 49 -9.817 31.034 -13.281 1.00 54.22 ATOM 764 HB1 ASN 49 -9.219 30.444 -13.966 1.00 37.12 ATOM 765 HB2 ASN 49 -9.409 32.031 -13.233 1.00 34.05 ATOM 766 CG ASN 49 -11.225 31.105 -13.841 1.00 60.02 ATOM 767 OD1 ASN 49 -12.017 30.177 -13.678 1.00 71.23 ATOM 768 ND2 ASN 49 -11.542 32.210 -14.506 1.00 14.15 ATOM 769 HD21 ASN 49 -10.868 32.920 -14.607 1.00 53.31 ATOM 770 HD22 ASN 49 -12.447 32.275 -14.875 1.00 31.54 ATOM 771 C ASN 49 -8.378 29.858 -11.607 1.00 11.13 ATOM 772 O ASN 49 -8.084 28.699 -11.897 1.00 33.15 ATOM 773 N GLU 50 -7.522 30.703 -11.040 1.00 30.52 ATOM 774 HN GLU 50 -7.796 31.629 -10.849 1.00 37.12 ATOM 775 CA GLU 50 -6.156 30.304 -10.720 1.00 12.52 ATOM 776 HA GLU 50 -5.813 29.603 -11.474 1.00 71.11 ATOM 777 CB GLU 50 -5.232 31.524 -10.724 1.00 22.24 ATOM 778 HB1 GLU 50 -4.307 31.268 -10.216 1.00 37.12 ATOM 779 HB2 GLU 50 -5.713 32.329 -10.187 1.00 22.11 ATOM 780 CG GLU 50 -4.887 32.022 -12.117 1.00 72.11 ATOM 781 HG1 GLU 50 -5.731 32.574 -12.506 1.00 37.12 ATOM 782 HG2 GLU 50 -4.687 31.174 -12.759 1.00 61.21 ATOM 783 CD GLU 50 -3.671 32.928 -12.129 1.00 20.53 ATOM 784 OE1 GLU 50 -2.774 32.704 -12.968 1.00 25.30 ATOM 785 OE2 GLU 50 -3.616 33.859 -11.299 1.00 53.12 ATOM 786 C GLU 50 -6.096 29.611 -9.362 1.00 24.12 ATOM 787 O GLU 50 -5.198 28.809 -9.101 1.00 5.32 ATOM 788 N LEU 51 -7.057 29.925 -8.500 1.00 42.34 ATOM 789 HN LEU 51 -7.718 30.602 -8.737 1.00 37.12 ATOM 790 CA LEU 51 -7.114 29.333 -7.168 1.00 42.42 ATOM 791 HA LEU 51 -6.171 29.514 -6.680 1.00 13.12 ATOM 792 CB LEU 51 -8.220 29.993 -6.343 1.00 32.42 ATOM 793 HB1 LEU 51 -9.157 29.827 -6.855 1.00 37.12 ATOM 794 HB2 LEU 51 -8.034 31.059 -6.323 1.00 40.42 ATOM 795 CG LEU 51 -8.370 29.497 -4.904 1.00 2.21 ATOM 796 HG LEU 51 -8.422 28.419 -4.895 1.00 23.11 ATOM 797 CD1 LEU 51 -7.168 29.912 -4.069 1.00 14.21 ATOM 798 HD11 LEU 51 -7.286 29.548 -3.057 1.00 1.21 ATOM 799 HD12 LEU 51 -7.087 30.990 -4.054 1.00 51.11 ATOM 800 HD13 LEU 51 -6.268 29.491 -4.494 1.00 11.34 ATOM 801 CD2 LEU 51 -9.657 30.026 -4.289 1.00 13.11 ATOM 802 HD21 LEU 51 -10.502 29.698 -4.879 1.00 72.43 ATOM 803 HD22 LEU 51 -9.634 31.107 -4.266 1.00 53.12 ATOM 804 HD23 LEU 51 -9.760 29.648 -3.281 1.00 14.11 ATOM 805 C LEU 51 -7.353 27.829 -7.250 1.00 44.14 ATOM 806 O LEU 51 -6.959 27.077 -6.357 1.00 51.55 ATOM 807 N LEU 52 -7.998 27.396 -8.328 1.00 25.11 ATOM 808 HN LEU 52 -8.313 28.039 -9.003 1.00 37.12 ATOM 809 CA LEU 52 -8.287 25.980 -8.529 1.00 0.23 ATOM 810 HA LEU 52 -8.745 25.603 -7.630 1.00 55.43 ATOM 811 CB LEU 52 -9.257 25.799 -9.698 1.00 25.51 ATOM 812 HB1 LEU 52 -9.313 24.752 -9.936 1.00 37.12 ATOM 813 HB2 LEU 52 -8.836 26.315 -10.551 1.00 62.43 ATOM 814 CG LEU 52 -10.679 26.315 -9.477 1.00 44.41 ATOM 815 HG LEU 52 -10.634 27.341 -9.141 1.00 15.45 ATOM 816 CD1 LEU 52 -11.467 26.282 -10.777 1.00 64.54 ATOM 817 HD11 LEU 52 -11.558 25.267 -11.127 1.00 52.42 ATOM 818 HD12 LEU 52 -10.958 26.874 -11.525 1.00 30.42 ATOM 819 HD13 LEU 52 -12.453 26.693 -10.612 1.00 20.03 ATOM 820 CD2 LEU 52 -11.382 25.498 -8.403 1.00 53.53 ATOM 821 HD21 LEU 52 -11.380 24.452 -8.679 1.00 14.05 ATOM 822 HD22 LEU 52 -12.402 25.838 -8.303 1.00 64.23 ATOM 823 HD23 LEU 52 -10.873 25.622 -7.460 1.00 54.50 ATOM 824 C LEU 52 -7.006 25.194 -8.789 1.00 0.04 ATOM 825 O LEU 52 -6.817 24.102 -8.253 1.00 44.32 ATOM 826 N ALA 53 -6.129 25.758 -9.612 1.00 64.13 ATOM 827 HN ALA 53 -6.331 26.637 -10.013 1.00 37.12 ATOM 828 CA ALA 53 -4.864 25.112 -9.940 1.00 23.23 ATOM 829 HA ALA 53 -5.022 24.040 -9.985 1.00 1.40 ATOM 830 CB ALA 53 -4.379 25.564 -11.309 1.00 72.34 ATOM 831 HB1 ALA 53 -5.139 25.349 -12.046 1.00 12.34 ATOM 832 HB2 ALA 53 -3.471 25.036 -11.567 1.00 44.31 ATOM 833 HB3 ALA 53 -4.186 26.628 -11.294 1.00 51.11 ATOM 834 C ALA 53 -3.807 25.405 -8.880 1.00 32.43 ATOM 835 O ALA 53 -2.870 24.628 -8.693 1.00 11.42 ATOM 836 N ARG 54 -3.964 26.529 -8.189 1.00 53.22 ATOM 837 HN ARG 54 -4.720 27.125 -8.394 1.00 37.12 ATOM 838 CA ARG 54 -3.022 26.925 -7.149 1.00 54.12 ATOM 839 HA ARG 54 -2.042 27.010 -7.603 1.00 10.03 ATOM 840 CB ARG 54 -3.429 28.272 -6.549 1.00 11.11 ATOM 841 HB1 ARG 54 -3.343 28.222 -5.468 1.00 37.12 ATOM 842 HB2 ARG 54 -4.453 28.479 -6.795 1.00 5.55 ATOM 843 CG ARG 54 -2.582 29.436 -7.035 1.00 45.30 ATOM 844 HG1 ARG 54 -2.970 29.767 -7.988 1.00 37.12 ATOM 845 HG2 ARG 54 -1.557 29.111 -7.163 1.00 14.34 ATOM 846 CD ARG 54 -2.625 30.602 -6.060 1.00 50.50 ATOM 847 HD1 ARG 54 -3.410 30.448 -5.329 1.00 37.12 ATOM 848 HD2 ARG 54 -2.837 31.502 -6.619 1.00 31.15 ATOM 849 NE ARG 54 -1.356 30.778 -5.360 1.00 24.14 ATOM 850 HE ARG 54 -0.626 30.145 -5.555 1.00 30.43 ATOM 851 CZ ARG 54 -1.132 31.742 -4.474 1.00 13.14 ATOM 852 NH1 ARG 54 -2.089 32.613 -4.181 1.00 25.40 ATOM 853 HH11 ARG 54 -2.988 32.563 -4.615 1.00 13.24 ATOM 854 HH12 ARG 54 -1.912 33.337 -3.511 1.00 12.05 ATOM 855 NH2 ARG 54 0.050 31.837 -3.878 1.00 34.53 ATOM 856 HH21 ARG 54 0.777 31.182 -4.094 1.00 32.04 ATOM 857 HH22 ARG 54 0.221 32.564 -3.209 1.00 53.43 ATOM 858 C ARG 54 -2.949 25.868 -6.051 1.00 51.11 ATOM 859 O ARG 54 -1.887 25.627 -5.477 1.00 63.03 ATOM 860 N TYR 55 -4.085 25.241 -5.764 1.00 5.42 ATOM 861 HN TYR 55 -4.912 25.470 -6.247 1.00 37.12 ATOM 862 CA TYR 55 -4.150 24.213 -4.733 1.00 20.43 ATOM 863 HA TYR 55 -3.216 24.221 -4.184 1.00 11.12 ATOM 864 CB TYR 55 -5.291 24.510 -3.758 1.00 22.40 ATOM 865 HB1 TYR 55 -5.522 23.627 -3.176 1.00 37.12 ATOM 866 HB2 TYR 55 -6.171 24.782 -4.327 1.00 71.32 ATOM 867 CG TYR 55 -4.991 25.642 -2.802 1.00 21.11 ATOM 868 CD1 TYR 55 -4.655 25.389 -1.478 1.00 33.04 ATOM 869 HD1 TYR 55 -4.606 24.367 -1.131 1.00 43.53 ATOM 870 CD2 TYR 55 -5.042 26.965 -3.223 1.00 74.04 ATOM 871 HD2 TYR 55 -5.301 27.183 -4.250 1.00 42.05 ATOM 872 CE1 TYR 55 -4.381 26.421 -0.601 1.00 35.43 ATOM 873 HE1 TYR 55 -4.121 26.203 0.424 1.00 20.33 ATOM 874 CE2 TYR 55 -4.769 28.003 -2.354 1.00 24.13 ATOM 875 HE2 TYR 55 -4.815 29.025 -2.702 1.00 2.02 ATOM 876 CZ TYR 55 -4.439 27.726 -1.043 1.00 71.44 ATOM 877 OH TYR 55 -4.166 28.756 -0.173 1.00 64.12 ATOM 878 HH TYR 55 -4.981 29.212 0.060 1.00 2.43 ATOM 879 C TYR 55 -4.342 22.832 -5.352 1.00 70.34 ATOM 880 O TYR 55 -4.832 22.688 -6.473 1.00 14.35 ATOM 881 N PRO 56 -3.947 21.789 -4.606 1.00 41.52 ATOM 882 CA PRO 56 -4.066 20.401 -5.060 1.00 71.30 ATOM 883 HA PRO 56 -3.602 20.258 -6.026 1.00 12.50 ATOM 884 CB PRO 56 -3.294 19.613 -3.998 1.00 53.23 ATOM 885 HB1 PRO 56 -2.273 19.489 -4.325 1.00 37.12 ATOM 886 HB2 PRO 56 -3.734 18.638 -3.831 1.00 41.03 ATOM 887 CG PRO 56 -3.356 20.463 -2.777 1.00 12.34 ATOM 888 HG1 PRO 56 -2.492 20.278 -2.156 1.00 37.12 ATOM 889 HG2 PRO 56 -4.264 20.254 -2.230 1.00 31.03 ATOM 890 CD PRO 56 -3.354 21.887 -3.262 1.00 21.41 ATOM 891 HD1 PRO 56 -2.343 22.265 -3.313 1.00 37.12 ATOM 892 HD2 PRO 56 -3.948 22.494 -2.605 1.00 55.11 ATOM 893 C PRO 56 -5.516 19.933 -5.121 1.00 12.12 ATOM 894 O PRO 56 -5.988 19.222 -4.233 1.00 24.44 ATOM 895 N LEU 57 -6.219 20.336 -6.173 1.00 52.23 ATOM 896 HN LEU 57 -5.790 20.897 -6.861 1.00 37.12 ATOM 897 CA LEU 57 -7.617 19.958 -6.350 1.00 61.34 ATOM 898 HA LEU 57 -7.972 19.495 -5.444 1.00 2.35 ATOM 899 CB LEU 57 -8.472 21.198 -6.614 1.00 13.23 ATOM 900 HB1 LEU 57 -9.511 20.898 -6.625 1.00 37.12 ATOM 901 HB2 LEU 57 -8.209 21.585 -7.586 1.00 55.40 ATOM 902 CG LEU 57 -8.309 22.349 -5.621 1.00 11.35 ATOM 903 HG LEU 57 -7.311 22.753 -5.710 1.00 72.02 ATOM 904 CD1 LEU 57 -9.296 23.465 -5.929 1.00 63.32 ATOM 905 HD11 LEU 57 -9.057 24.333 -5.346 1.00 11.43 ATOM 906 HD12 LEU 57 -10.296 23.137 -5.696 1.00 33.53 ATOM 907 HD13 LEU 57 -9.243 23.715 -6.978 1.00 12.44 ATOM 908 CD2 LEU 57 -8.492 21.853 -4.194 1.00 31.42 ATOM 909 HD21 LEU 57 -7.722 21.136 -3.953 1.00 73.31 ATOM 910 HD22 LEU 57 -9.462 21.388 -4.090 1.00 2.13 ATOM 911 HD23 LEU 57 -8.423 22.688 -3.508 1.00 72.30 ATOM 912 C LEU 57 -7.771 18.966 -7.499 1.00 53.32 ATOM 913 O LEU 57 -7.199 19.150 -8.574 1.00 53.33 ATOM 914 N THR 58 -8.550 17.914 -7.266 1.00 12.40 ATOM 915 HN THR 58 -8.965 17.803 -6.382 1.00 37.12 ATOM 916 CA THR 58 -8.781 16.894 -8.281 1.00 11.31 ATOM 917 HA THR 58 -7.959 16.907 -8.991 1.00 20.44 ATOM 918 CB THR 58 -8.858 15.488 -7.657 1.00 11.22 ATOM 919 HB THR 58 -9.410 14.825 -8.314 1.00 0.42 ATOM 920 OG1 THR 58 -9.531 15.549 -6.394 1.00 64.20 ATOM 921 HG1 THR 58 -9.913 14.692 -6.189 1.00 15.43 ATOM 922 CG2 THR 58 -7.467 14.903 -7.469 1.00 23.25 ATOM 923 HG21 THR 58 -6.972 14.829 -8.427 1.00 33.42 ATOM 924 HG22 THR 58 -7.548 13.919 -7.031 1.00 14.12 ATOM 925 HG23 THR 58 -6.891 15.540 -6.813 1.00 32.24 ATOM 926 C THR 58 -10.068 17.167 -9.052 1.00 22.14 ATOM 927 O THR 58 -10.839 18.057 -8.694 1.00 64.04 ATOM 928 N GLU 59 -10.293 16.395 -10.110 1.00 33.41 ATOM 929 HN GLU 59 -9.634 15.698 -10.348 1.00 37.12 ATOM 930 CA GLU 59 -11.488 16.554 -10.931 1.00 1.43 ATOM 931 HA GLU 59 -11.452 17.534 -11.388 1.00 60.22 ATOM 932 CB GLU 59 -11.525 15.490 -12.030 1.00 3.43 ATOM 933 HB1 GLU 59 -12.499 15.506 -12.507 1.00 37.12 ATOM 934 HB2 GLU 59 -11.370 14.520 -11.581 1.00 44.21 ATOM 935 CG GLU 59 -10.470 15.690 -13.105 1.00 71.42 ATOM 936 HG1 GLU 59 -9.493 15.560 -12.661 1.00 37.12 ATOM 937 HG2 GLU 59 -10.555 16.694 -13.497 1.00 13.44 ATOM 938 CD GLU 59 -10.617 14.712 -14.255 1.00 34.00 ATOM 939 OE1 GLU 59 -9.785 13.787 -14.358 1.00 50.15 ATOM 940 OE2 GLU 59 -11.566 14.872 -15.051 1.00 52.33 ATOM 941 C GLU 59 -12.750 16.464 -10.078 1.00 11.22 ATOM 942 O GLU 59 -13.789 17.025 -10.426 1.00 42.40 ATOM 943 N SER 60 -12.652 15.753 -8.959 1.00 43.20 ATOM 944 HN SER 60 -11.816 15.284 -8.742 1.00 37.12 ATOM 945 CA SER 60 -13.786 15.585 -8.058 1.00 3.11 ATOM 946 HA SER 60 -14.690 15.508 -8.650 1.00 14.23 ATOM 947 CB SER 60 -13.630 14.300 -7.242 1.00 41.22 ATOM 948 HB1 SER 60 -14.601 13.975 -6.899 1.00 37.12 ATOM 949 HB2 SER 60 -12.986 14.476 -6.389 1.00 22.24 ATOM 950 OG SER 60 -13.056 13.267 -8.023 1.00 62.34 ATOM 951 HG SER 60 -12.840 12.521 -7.459 1.00 52.14 ATOM 952 C SER 60 -13.918 16.782 -7.122 1.00 1.53 ATOM 953 O SER 60 -15.023 17.158 -6.731 1.00 4.24 ATOM 954 N GLN 61 -12.783 17.376 -6.767 1.00 40.30 ATOM 955 HN GLN 61 -11.926 17.024 -7.091 1.00 37.12 ATOM 956 CA GLN 61 -12.771 18.531 -5.876 1.00 74.42 ATOM 957 HA GLN 61 -13.493 18.363 -5.085 1.00 65.01 ATOM 958 CB GLN 61 -11.387 18.702 -5.248 1.00 14.43 ATOM 959 HB1 GLN 61 -11.372 19.627 -4.681 1.00 37.12 ATOM 960 HB2 GLN 61 -10.659 18.766 -6.034 1.00 4.42 ATOM 961 CG GLN 61 -10.999 17.569 -4.312 1.00 71.22 ATOM 962 HG1 GLN 61 -10.871 16.673 -4.888 1.00 37.12 ATOM 963 HG2 GLN 61 -11.795 17.417 -3.600 1.00 32.22 ATOM 964 CD GLN 61 -9.717 17.851 -3.555 1.00 24.33 ATOM 965 OE1 GLN 61 -8.620 17.737 -4.103 1.00 71.33 ATOM 966 NE2 GLN 61 -9.847 18.222 -2.286 1.00 71.53 ATOM 967 HE21 GLN 61 -10.748 18.298 -1.897 1.00 73.04 ATOM 968 HE22 GLN 61 -9.028 18.408 -1.780 1.00 1.11 ATOM 969 C GLN 61 -13.164 19.800 -6.625 1.00 30.02 ATOM 970 O GLN 61 -14.057 20.534 -6.199 1.00 30.33 ATOM 971 N LEU 62 -12.492 20.054 -7.742 1.00 24.20 ATOM 972 HN LEU 62 -11.788 19.429 -8.031 1.00 37.12 ATOM 973 CA LEU 62 -12.770 21.236 -8.551 1.00 21.42 ATOM 974 HA LEU 62 -12.483 22.107 -7.978 1.00 5.13 ATOM 975 CB LEU 62 -11.958 21.194 -9.846 1.00 44.12 ATOM 976 HB1 LEU 62 -12.473 21.807 -10.580 1.00 37.12 ATOM 977 HB2 LEU 62 -11.963 20.175 -10.215 1.00 72.53 ATOM 978 CG LEU 62 -10.513 21.686 -9.749 1.00 21.54 ATOM 979 HG LEU 62 -10.407 22.341 -8.893 1.00 40.43 ATOM 980 CD1 LEU 62 -9.562 20.514 -9.556 1.00 15.12 ATOM 981 HD11 LEU 62 -9.683 19.806 -10.365 1.00 70.23 ATOM 982 HD12 LEU 62 -9.790 20.040 -8.628 1.00 3.13 ATOM 983 HD13 LEU 62 -8.544 20.872 -9.543 1.00 14.10 ATOM 984 CD2 LEU 62 -10.136 22.482 -10.989 1.00 43.21 ATOM 985 HD21 LEU 62 -10.791 23.331 -11.085 1.00 43.44 ATOM 986 HD22 LEU 62 -10.231 21.857 -11.866 1.00 32.44 ATOM 987 HD23 LEU 62 -9.114 22.825 -10.905 1.00 1.55 ATOM 988 C LEU 62 -14.257 21.337 -8.873 1.00 14.01 ATOM 989 O LEU 62 -14.814 22.432 -8.943 1.00 51.21 ATOM 990 N ALA 63 -14.896 20.187 -9.066 1.00 5.33 ATOM 991 HN ALA 63 -14.396 19.338 -9.028 1.00 37.12 ATOM 992 CA ALA 63 -16.319 20.146 -9.376 1.00 12.51 ATOM 993 HA ALA 63 -16.477 20.674 -10.307 1.00 64.54 ATOM 994 CB ALA 63 -16.776 18.708 -9.569 1.00 51.24 ATOM 995 HB1 ALA 63 -17.819 18.692 -9.855 1.00 31.11 ATOM 996 HB2 ALA 63 -16.646 18.158 -8.648 1.00 11.03 ATOM 997 HB3 ALA 63 -16.186 18.247 -10.347 1.00 31.00 ATOM 998 C ALA 63 -17.139 20.821 -8.281 1.00 50.34 ATOM 999 O ALA 63 -18.108 21.527 -8.563 1.00 52.44 ATOM 1000 N LEU 64 -16.745 20.600 -7.032 1.00 74.42 ATOM 1001 HN LEU 64 -15.964 20.022 -6.862 1.00 37.12 ATOM 1002 CA LEU 64 -17.445 21.186 -5.894 1.00 43.22 ATOM 1003 HA LEU 64 -18.510 21.046 -6.037 1.00 32.33 ATOM 1004 CB LEU 64 -17.031 20.485 -4.599 1.00 64.13 ATOM 1005 HB1 LEU 64 -15.963 20.624 -4.490 1.00 37.12 ATOM 1006 HB2 LEU 64 -17.211 19.424 -4.728 1.00 41.44 ATOM 1007 CG LEU 64 -17.730 20.960 -3.325 1.00 42.33 ATOM 1008 HG LEU 64 -18.061 21.978 -3.439 1.00 3.43 ATOM 1009 CD1 LEU 64 -18.966 20.118 -3.049 1.00 2.41 ATOM 1010 HD11 LEU 64 -18.711 19.235 -2.476 1.00 41.11 ATOM 1011 HD12 LEU 64 -19.423 19.812 -3.982 1.00 63.40 ATOM 1012 HD13 LEU 64 -19.665 20.706 -2.508 1.00 3.32 ATOM 1013 CD2 LEU 64 -16.774 20.912 -2.142 1.00 63.24 ATOM 1014 HD21 LEU 64 -16.840 19.970 -1.654 1.00 65.21 ATOM 1015 HD22 LEU 64 -17.052 21.675 -1.438 1.00 41.05 ATOM 1016 HD23 LEU 64 -15.754 21.085 -2.459 1.00 40.42 ATOM 1017 C LEU 64 -17.158 22.681 -5.790 1.00 73.25 ATOM 1018 O LEU 64 -18.074 23.490 -5.642 1.00 42.32 ATOM 1019 N VAL 65 -15.881 23.040 -5.872 1.00 11.44 ATOM 1020 HN VAL 65 -15.204 22.343 -6.011 1.00 37.12 ATOM 1021 CA VAL 65 -15.474 24.438 -5.790 1.00 62.03 ATOM 1022 HA VAL 65 -15.675 24.783 -4.784 1.00 32.44 ATOM 1023 CB VAL 65 -13.968 24.601 -6.071 1.00 51.00 ATOM 1024 HB VAL 65 -13.777 24.344 -7.105 1.00 5.04 ATOM 1025 CG1 VAL 65 -13.537 26.044 -5.854 1.00 34.43 ATOM 1026 HG11 VAL 65 -13.757 26.339 -4.843 1.00 52.23 ATOM 1027 HG12 VAL 65 -14.063 26.677 -6.535 1.00 53.52 ATOM 1028 HG13 VAL 65 -12.476 26.140 -6.026 1.00 10.34 ATOM 1029 CG2 VAL 65 -13.158 23.656 -5.196 1.00 11.51 ATOM 1030 HG21 VAL 65 -12.123 23.952 -5.204 1.00 73.24 ATOM 1031 HG22 VAL 65 -13.232 22.657 -5.578 1.00 60.24 ATOM 1032 HG23 VAL 65 -13.526 23.683 -4.178 1.00 41.25 ATOM 1033 C VAL 65 -16.259 25.297 -6.775 1.00 11.44 ATOM 1034 O VAL 65 -16.541 26.465 -6.507 1.00 13.42 ATOM 1035 N ARG 66 -16.610 24.711 -7.915 1.00 4.23 ATOM 1036 HN ARG 66 -16.331 23.784 -8.097 1.00 37.12 ATOM 1037 CA ARG 66 -17.362 25.424 -8.940 1.00 73.42 ATOM 1038 HA ARG 66 -16.859 26.364 -9.140 1.00 55.04 ATOM 1039 CB ARG 66 -17.414 24.601 -10.229 1.00 31.11 ATOM 1040 HB1 ARG 66 -18.211 24.982 -10.861 1.00 37.12 ATOM 1041 HB2 ARG 66 -17.629 23.571 -9.980 1.00 54.35 ATOM 1042 CG ARG 66 -16.121 24.637 -11.027 1.00 21.12 ATOM 1043 HG1 ARG 66 -15.364 24.087 -10.500 1.00 37.12 ATOM 1044 HG2 ARG 66 -15.804 25.665 -11.141 1.00 63.25 ATOM 1045 CD ARG 66 -16.302 24.029 -12.409 1.00 21.43 ATOM 1046 HD1 ARG 66 -16.861 23.105 -12.326 1.00 37.12 ATOM 1047 HD2 ARG 66 -15.325 23.816 -12.818 1.00 3.34 ATOM 1048 NE ARG 66 -17.001 24.933 -13.318 1.00 1.14 ATOM 1049 HE ARG 66 -17.240 25.830 -12.985 1.00 12.30 ATOM 1050 CZ ARG 66 -17.329 24.613 -14.564 1.00 52.13 ATOM 1051 NH1 ARG 66 -17.024 23.417 -15.048 1.00 21.24 ATOM 1052 HH11 ARG 66 -16.546 22.738 -14.492 1.00 41.34 ATOM 1053 HH12 ARG 66 -17.276 23.184 -15.990 1.00 74.14 ATOM 1054 NH2 ARG 66 -17.965 25.491 -15.330 1.00 61.53 ATOM 1055 HH21 ARG 66 -18.199 26.397 -14.970 1.00 40.24 ATOM 1056 HH22 ARG 66 -18.214 25.252 -16.271 1.00 74.13 ATOM 1057 C ARG 66 -18.779 25.729 -8.462 1.00 23.24 ATOM 1058 O ARG 66 -19.276 26.842 -8.632 1.00 2.12 ATOM 1059 N ASP 67 -19.423 24.733 -7.863 1.00 63.23 ATOM 1060 HN ASP 67 -18.975 23.859 -7.758 1.00 37.12 ATOM 1061 CA ASP 67 -20.782 24.894 -7.359 1.00 44.44 ATOM 1062 HA ASP 67 -21.389 25.294 -8.165 1.00 51.44 ATOM 1063 CB ASP 67 -21.350 23.544 -6.922 1.00 74.54 ATOM 1064 HB1 ASP 67 -21.066 23.333 -5.898 1.00 37.12 ATOM 1065 HB2 ASP 67 -20.951 22.768 -7.561 1.00 42.02 ATOM 1066 CG ASP 67 -22.862 23.493 -7.021 1.00 73.44 ATOM 1067 OD1 ASP 67 -23.374 23.011 -8.054 1.00 62.21 ATOM 1068 OD2 ASP 67 -23.534 23.934 -6.066 1.00 32.41 ATOM 1069 C ASP 67 -20.815 25.876 -6.192 1.00 53.12 ATOM 1070 O ASP 67 -21.676 26.755 -6.133 1.00 4.14 ATOM 1071 N ILE 68 -19.875 25.719 -5.267 1.00 11.24 ATOM 1072 HN ILE 68 -19.202 25.011 -5.385 1.00 37.12 ATOM 1073 CA ILE 68 -19.798 26.592 -4.102 1.00 23.34 ATOM 1074 HA ILE 68 -20.688 26.433 -3.505 1.00 74.45 ATOM 1075 CB ILE 68 -18.566 26.267 -3.236 1.00 1.01 ATOM 1076 HB ILE 68 -17.680 26.425 -3.837 1.00 3.21 ATOM 1077 CG1 ILE 68 -18.609 24.808 -2.776 1.00 10.43 ATOM 1078 HG11 ILE 68 -18.906 24.164 -3.581 1.00 37.12 ATOM 1079 HG12 ILE 68 -19.329 24.705 -1.975 1.00 31.23 ATOM 1080 CG2 ILE 68 -18.498 27.204 -2.039 1.00 62.11 ATOM 1081 HG21 ILE 68 -18.278 28.208 -2.368 1.00 21.32 ATOM 1082 HG22 ILE 68 -17.716 26.882 -1.364 1.00 2.21 ATOM 1083 HG23 ILE 68 -19.444 27.198 -1.513 1.00 52.04 ATOM 1084 CD1 ILE 68 -17.282 24.298 -2.259 1.00 41.25 ATOM 1085 HD11 ILE 68 -16.627 25.123 -2.010 1.00 52.34 ATOM 1086 HD12 ILE 68 -16.812 23.687 -3.013 1.00 34.20 ATOM 1087 HD13 ILE 68 -17.454 23.707 -1.374 1.00 64.52 ATOM 1088 C ILE 68 -19.742 28.058 -4.516 1.00 4.22 ATOM 1089 O ILE 68 -20.348 28.918 -3.876 1.00 61.03 ATOM 1090 N ARG 69 -19.011 28.336 -5.591 1.00 13.33 ATOM 1091 HN ARG 69 -18.537 27.609 -6.060 1.00 37.12 ATOM 1092 CA ARG 69 -18.877 29.699 -6.091 1.00 65.02 ATOM 1093 HA ARG 69 -18.551 30.327 -5.270 1.00 62.43 ATOM 1094 CB ARG 69 -17.830 29.754 -7.206 1.00 10.53 ATOM 1095 HB1 ARG 69 -18.254 29.307 -8.099 1.00 37.12 ATOM 1096 HB2 ARG 69 -16.972 29.172 -6.917 1.00 31.24 ATOM 1097 CG ARG 69 -17.367 31.164 -7.537 1.00 22.24 ATOM 1098 HG1 ARG 69 -16.482 31.374 -6.963 1.00 37.12 ATOM 1099 HG2 ARG 69 -18.137 31.880 -7.280 1.00 14.32 ATOM 1100 CD ARG 69 -17.030 31.307 -9.012 1.00 43.35 ATOM 1101 HD1 ARG 69 -16.774 30.343 -9.424 1.00 37.12 ATOM 1102 HD2 ARG 69 -16.179 31.965 -9.089 1.00 13.35 ATOM 1103 NE ARG 69 -18.146 31.857 -9.778 1.00 25.31 ATOM 1104 HE ARG 69 -19.050 31.785 -9.391 1.00 73.15 ATOM 1105 CZ ARG 69 -18.007 32.439 -10.964 1.00 12.12 ATOM 1106 NH1 ARG 69 -16.807 32.547 -11.517 1.00 72.22 ATOM 1107 HH11 ARG 69 -15.987 32.203 -11.069 1.00 52.34 ATOM 1108 HH12 ARG 69 -16.725 32.974 -12.417 1.00 21.42 ATOM 1109 NH2 ARG 69 -19.071 32.915 -11.599 1.00 22.32 ATOM 1110 HH21 ARG 69 -19.981 32.837 -11.186 1.00 10.12 ATOM 1111 HH22 ARG 69 -18.969 33.355 -12.494 1.00 24.21 ATOM 1112 C ARG 69 -20.213 30.223 -6.608 1.00 13.25 ATOM 1113 O ARG 69 -20.576 31.374 -6.363 1.00 35.34 ATOM 1114 N ARG 70 -20.940 29.372 -7.323 1.00 74.44 ATOM 1115 HN ARG 70 -20.595 28.464 -7.496 1.00 37.12 ATOM 1116 CA ARG 70 -22.236 29.749 -7.876 1.00 4.44 ATOM 1117 HA ARG 70 -22.098 30.628 -8.492 1.00 53.53 ATOM 1118 CB ARG 70 -22.791 28.621 -8.747 1.00 11.31 ATOM 1119 HB1 ARG 70 -22.799 27.710 -8.167 1.00 37.12 ATOM 1120 HB2 ARG 70 -22.141 28.484 -9.601 1.00 54.51 ATOM 1121 CG ARG 70 -24.204 28.877 -9.246 1.00 61.50 ATOM 1122 HG1 ARG 70 -24.867 29.059 -8.415 1.00 37.12 ATOM 1123 HG2 ARG 70 -24.539 27.996 -9.774 1.00 1.53 ATOM 1124 CD ARG 70 -24.251 30.054 -10.207 1.00 11.22 ATOM 1125 HD1 ARG 70 -24.991 29.837 -10.965 1.00 37.12 ATOM 1126 HD2 ARG 70 -23.286 30.185 -10.682 1.00 70.25 ATOM 1127 NE ARG 70 -24.621 31.296 -9.533 1.00 32.11 ATOM 1128 HE ARG 70 -24.710 31.285 -8.558 1.00 71.30 ATOM 1129 CZ ARG 70 -24.849 32.439 -10.171 1.00 32.41 ATOM 1130 NH1 ARG 70 -24.746 32.496 -11.491 1.00 41.44 ATOM 1131 HH11 ARG 70 -24.497 31.692 -12.029 1.00 15.11 ATOM 1132 HH12 ARG 70 -24.921 33.362 -11.965 1.00 73.25 ATOM 1133 NH2 ARG 70 -25.182 33.526 -9.488 1.00 2.34 ATOM 1134 HH21 ARG 70 -25.252 33.488 -8.501 1.00 42.51 ATOM 1135 HH22 ARG 70 -25.364 34.388 -9.966 1.00 61.45 ATOM 1136 C ARG 70 -23.225 30.081 -6.763 1.00 13.34 ATOM 1137 O ARG 70 -23.854 31.140 -6.772 1.00 65.04 ATOM 1138 N ARG 71 -23.359 29.169 -5.805 1.00 41.23 ATOM 1139 HN ARG 71 -22.828 28.337 -5.854 1.00 37.12 ATOM 1140 CA ARG 71 -24.273 29.364 -4.686 1.00 51.25 ATOM 1141 HA ARG 71 -25.277 29.418 -5.082 1.00 21.13 ATOM 1142 CB ARG 71 -24.173 28.192 -3.708 1.00 40.32 ATOM 1143 HB1 ARG 71 -24.415 28.527 -2.704 1.00 37.12 ATOM 1144 HB2 ARG 71 -23.154 27.828 -3.706 1.00 74.15 ATOM 1145 CG ARG 71 -25.080 27.025 -4.061 1.00 70.04 ATOM 1146 HG1 ARG 71 -24.667 26.127 -3.625 1.00 37.12 ATOM 1147 HG2 ARG 71 -25.126 26.909 -5.137 1.00 44.23 ATOM 1148 CD ARG 71 -26.485 27.227 -3.516 1.00 73.43 ATOM 1149 HD1 ARG 71 -26.426 27.755 -2.573 1.00 37.12 ATOM 1150 HD2 ARG 71 -26.927 26.255 -3.350 1.00 13.13 ATOM 1151 NE ARG 71 -27.331 27.970 -4.446 1.00 14.22 ATOM 1152 HE ARG 71 -27.049 28.017 -5.390 1.00 42.42 ATOM 1153 CZ ARG 71 -28.458 28.577 -4.089 1.00 50.04 ATOM 1154 NH1 ARG 71 -28.871 28.529 -2.831 1.00 32.05 ATOM 1155 HH11 ARG 71 -28.359 28.041 -2.129 1.00 45.42 ATOM 1156 HH12 ARG 71 -29.721 28.994 -2.573 1.00 33.15 ATOM 1157 NH2 ARG 71 -29.174 29.234 -4.993 1.00 44.22 ATOM 1158 HH21 ARG 71 -28.867 29.274 -5.946 1.00 71.21 ATOM 1159 HH22 ARG 71 -30.024 29.692 -4.727 1.00 52.41 ATOM 1160 C ARG 71 -23.974 30.673 -3.961 1.00 64.04 ATOM 1161 O ARG 71 -24.862 31.500 -3.759 1.00 61.20 ATOM 1162 N GLY 72 -22.715 30.853 -3.572 1.00 11.51 ATOM 1163 HN GLY 72 -22.038 30.163 -3.757 1.00 37.12 ATOM 1164 CA GLY 72 -22.321 32.063 -2.873 1.00 70.22 ATOM 1165 HA1 GLY 72 -21.318 31.952 -2.540 1.00 37.12 ATOM 1166 HA2 GLY 72 -22.956 32.191 -2.005 1.00 72.50 ATOM 1167 C GLY 72 -22.437 33.299 -3.743 1.00 32.11 ATOM 1168 O GLY 72 -22.699 34.395 -3.246 1.00 72.43 ATOM 1169 N LYS 73 -22.240 33.125 -5.045 1.00 74.43 ATOM 1170 HN LYS 73 -22.021 32.228 -5.390 1.00 37.12 ATOM 1171 CA LYS 73 -22.324 34.234 -5.987 1.00 41.34 ATOM 1172 HA LYS 73 -21.700 35.039 -5.621 1.00 23.35 ATOM 1173 CB LYS 73 -21.810 33.803 -7.363 1.00 25.54 ATOM 1174 HB1 LYS 73 -22.402 32.965 -7.707 1.00 37.12 ATOM 1175 HB2 LYS 73 -20.788 33.480 -7.256 1.00 51.24 ATOM 1176 CG LYS 73 -21.884 34.899 -8.411 1.00 61.44 ATOM 1177 HG1 LYS 73 -22.497 35.721 -8.082 1.00 37.12 ATOM 1178 HG2 LYS 73 -22.328 34.476 -9.301 1.00 32.04 ATOM 1179 CD LYS 73 -20.502 35.411 -8.782 1.00 30.24 ATOM 1180 HD1 LYS 73 -20.507 35.648 -9.836 1.00 37.12 ATOM 1181 HD2 LYS 73 -19.750 34.655 -8.601 1.00 14.23 ATOM 1182 CE LYS 73 -20.153 36.677 -8.014 1.00 60.14 ATOM 1183 HE1 LYS 73 -21.052 37.215 -7.742 1.00 37.12 ATOM 1184 HE2 LYS 73 -19.552 37.304 -8.656 1.00 44.31 ATOM 1185 NZ LYS 73 -19.372 36.381 -6.781 1.00 75.12 ATOM 1186 HZ1 LYS 73 -20.006 36.421 -5.964 1.00 75.14 ATOM 1187 HZ2 LYS 73 -18.628 37.097 -6.656 1.00 14.31 ATOM 1188 HZ3 LYS 73 -18.922 35.442 -6.822 1.00 34.04 ATOM 1189 C LYS 73 -23.758 34.741 -6.105 1.00 43.24 ATOM 1190 O LYS 73 -23.990 35.932 -6.306 1.00 51.42 ATOM 1191 N ASN 74 -24.716 33.829 -5.978 1.00 24.40 ATOM 1192 HN ASN 74 -24.475 32.884 -5.837 1.00 37.12 ATOM 1193 CA ASN 74 -26.127 34.184 -6.069 1.00 50.25 ATOM 1194 HA ASN 74 -26.303 34.624 -7.042 1.00 72.13 ATOM 1195 CB ASN 74 -27.000 32.938 -5.906 1.00 42.25 ATOM 1196 HB1 ASN 74 -27.961 33.217 -5.489 1.00 37.12 ATOM 1197 HB2 ASN 74 -26.522 32.249 -5.233 1.00 14.33 ATOM 1198 CG ASN 74 -27.262 32.239 -7.227 1.00 13.45 ATOM 1199 OD1 ASN 74 -27.766 32.845 -8.173 1.00 21.12 ATOM 1200 ND2 ASN 74 -26.921 30.958 -7.295 1.00 74.24 ATOM 1201 HD21 ASN 74 -26.523 30.523 -6.509 1.00 31.51 ATOM 1202 HD22 ASN 74 -27.082 30.489 -8.141 1.00 74.13 ATOM 1203 C ASN 74 -26.497 35.220 -5.012 1.00 22.31 ATOM 1204 O ASN 74 -27.431 36.001 -5.192 1.00 12.13 ATOM 1205 N LYS 75 -25.757 35.220 -3.908 1.00 41.43 ATOM 1206 HN LYS 75 -25.048 34.548 -3.790 1.00 37.12 ATOM 1207 CA LYS 75 -26.004 36.160 -2.821 1.00 51.23 ATOM 1208 HA LYS 75 -27.062 36.128 -2.583 1.00 30.21 ATOM 1209 CB LYS 75 -25.203 35.759 -1.581 1.00 3.33 ATOM 1210 HB1 LYS 75 -24.161 36.020 -1.727 1.00 37.12 ATOM 1211 HB2 LYS 75 -25.279 34.692 -1.462 1.00 71.30 ATOM 1212 CG LYS 75 -25.696 36.411 -0.301 1.00 14.32 ATOM 1213 HG1 LYS 75 -26.691 36.048 -0.080 1.00 37.12 ATOM 1214 HG2 LYS 75 -25.732 37.482 -0.449 1.00 22.11 ATOM 1215 CD LYS 75 -24.769 36.119 0.867 1.00 14.32 ATOM 1216 HD1 LYS 75 -24.917 36.881 1.618 1.00 37.12 ATOM 1217 HD2 LYS 75 -23.738 36.144 0.536 1.00 73.12 ATOM 1218 CE LYS 75 -25.066 34.763 1.489 1.00 41.14 ATOM 1219 HE1 LYS 75 -26.127 34.556 1.436 1.00 37.12 ATOM 1220 HE2 LYS 75 -24.765 34.792 2.526 1.00 30.25 ATOM 1221 NZ LYS 75 -24.321 33.667 0.810 1.00 43.13 ATOM 1222 HZ1 LYS 75 -24.226 32.858 1.457 1.00 72.54 ATOM 1223 HZ2 LYS 75 -23.366 33.976 0.528 1.00 0.23 ATOM 1224 HZ3 LYS 75 -24.835 33.351 -0.033 1.00 64.52 ATOM 1225 C LYS 75 -25.639 37.582 -3.238 1.00 35.44 ATOM 1226 O LYS 75 -26.245 38.549 -2.776 1.00 54.05 ATOM 1227 N VAL 76 -24.646 37.701 -4.113 1.00 75.33 ATOM 1228 HN VAL 76 -24.202 36.896 -4.457 1.00 37.12 ATOM 1229 CA VAL 76 -24.203 39.004 -4.594 1.00 31.12 ATOM 1230 HA VAL 76 -24.134 39.676 -3.744 1.00 60.02 ATOM 1231 CB VAL 76 -22.812 38.917 -5.250 1.00 75.33 ATOM 1232 HB VAL 76 -22.888 38.313 -6.145 1.00 74.14 ATOM 1233 CG1 VAL 76 -22.324 40.300 -5.652 1.00 62.12 ATOM 1234 HG11 VAL 76 -22.345 40.959 -4.795 1.00 74.43 ATOM 1235 HG12 VAL 76 -22.954 40.702 -6.431 1.00 12.21 ATOM 1236 HG13 VAL 76 -21.310 40.234 -6.024 1.00 44.00 ATOM 1237 CG2 VAL 76 -21.822 38.244 -4.312 1.00 0.23 ATOM 1238 HG21 VAL 76 -22.137 37.232 -4.108 1.00 45.32 ATOM 1239 HG22 VAL 76 -21.766 38.796 -3.385 1.00 3.13 ATOM 1240 HG23 VAL 76 -20.843 38.222 -4.773 1.00 4.41 ATOM 1241 C VAL 76 -25.192 39.585 -5.599 1.00 23.35 ATOM 1242 O VAL 76 -25.333 40.802 -5.713 1.00 63.35 ATOM 1243 N ALA 77 -25.875 38.705 -6.324 1.00 41.40 ATOM 1244 HN ALA 77 -25.709 37.741 -6.208 1.00 37.12 ATOM 1245 CA ALA 77 -26.853 39.131 -7.318 1.00 21.43 ATOM 1246 HA ALA 77 -26.336 39.706 -8.075 1.00 33.01 ATOM 1247 CB ALA 77 -27.479 37.920 -7.994 1.00 31.24 ATOM 1248 HB1 ALA 77 -26.701 37.315 -8.435 1.00 31.01 ATOM 1249 HB2 ALA 77 -28.160 38.246 -8.768 1.00 4.41 ATOM 1250 HB3 ALA 77 -28.018 37.333 -7.263 1.00 42.15 ATOM 1251 C ALA 77 -27.932 40.004 -6.687 1.00 72.11 ATOM 1252 O ALA 77 -28.454 40.918 -7.324 1.00 14.42 ATOM 1253 N ALA 78 -28.262 39.715 -5.433 1.00 12.35 ATOM 1254 HN ALA 78 -27.828 38.957 -4.976 1.00 37.12 ATOM 1255 CA ALA 78 -29.279 40.475 -4.716 1.00 4.52 ATOM 1256 HA ALA 78 -30.224 40.335 -5.224 1.00 34.44 ATOM 1257 CB ALA 78 -29.426 39.951 -3.295 1.00 4.30 ATOM 1258 HB1 ALA 78 -30.199 40.505 -2.780 1.00 64.51 ATOM 1259 HB2 ALA 78 -28.491 40.060 -2.766 1.00 61.05 ATOM 1260 HB3 ALA 78 -29.698 38.906 -3.327 1.00 33.15 ATOM 1261 C ALA 78 -28.943 41.963 -4.701 1.00 22.12 ATOM 1262 O ALA 78 -29.681 42.780 -5.251 1.00 22.14 ATOM 1263 N GLN 79 -27.826 42.306 -4.068 1.00 2.34 ATOM 1264 HN GLN 79 -27.275 41.604 -3.653 1.00 37.12 ATOM 1265 CA GLN 79 -27.394 43.696 -3.981 1.00 12.45 ATOM 1266 HA GLN 79 -28.207 44.278 -3.566 1.00 4.24 ATOM 1267 CB GLN 79 -26.182 43.819 -3.055 1.00 53.12 ATOM 1268 HB1 GLN 79 -26.453 43.443 -2.079 1.00 37.12 ATOM 1269 HB2 GLN 79 -25.916 44.865 -2.965 1.00 14.03 ATOM 1270 CG GLN 79 -24.966 43.047 -3.540 1.00 60.11 ATOM 1271 HG1 GLN 79 -24.749 43.321 -4.561 1.00 37.12 ATOM 1272 HG2 GLN 79 -25.186 41.992 -3.496 1.00 23.31 ATOM 1273 CD GLN 79 -23.734 43.308 -2.696 1.00 51.51 ATOM 1274 OE1 GLN 79 -23.743 43.099 -1.483 1.00 24.42 ATOM 1275 NE2 GLN 79 -22.665 43.769 -3.335 1.00 52.33 ATOM 1276 HE21 GLN 79 -22.711 43.920 -4.306 1.00 23.11 ATOM 1277 HE22 GLN 79 -21.859 43.943 -2.805 1.00 63.14 ATOM 1278 C GLN 79 -27.053 44.248 -5.361 1.00 22.12 ATOM 1279 O GLN 79 -27.150 45.451 -5.601 1.00 32.54 ATOM 1280 N ASN 80 -26.652 43.360 -6.265 1.00 31.11 ATOM 1281 HN ASN 80 -26.572 42.410 -6.028 1.00 37.12 ATOM 1282 CA ASN 80 -26.295 43.758 -7.622 1.00 11.43 ATOM 1283 HA ASN 80 -26.317 44.840 -7.693 1.00 31.33 ATOM 1284 CB ASN 80 -24.883 43.278 -7.962 1.00 3.54 ATOM 1285 HB1 ASN 80 -24.879 42.198 -8.040 1.00 37.12 ATOM 1286 HB2 ASN 80 -24.215 43.574 -7.165 1.00 71.01 ATOM 1287 CG ASN 80 -24.365 43.875 -9.257 1.00 35.44 ATOM 1288 OD1 ASN 80 -24.447 45.084 -9.472 1.00 72.25 ATOM 1289 ND2 ASN 80 -23.830 43.026 -10.126 1.00 24.31 ATOM 1290 HD21 ASN 80 -23.791 42.069 -9.903 1.00 32.33 ATOM 1291 HD22 ASN 80 -23.490 43.393 -10.969 1.00 3.30 ATOM 1292 C ASN 80 -27.291 43.199 -8.633 1.00 14.12 ATOM 1293 O ASN 80 -26.909 42.519 -9.585 1.00 54.04 ATOM 1294 N TYR 81 -28.570 43.491 -8.419 1.00 25.21 ATOM 1295 HN TYR 81 -28.817 44.054 -7.647 1.00 37.12 ATOM 1296 CA TYR 81 -29.621 43.016 -9.310 1.00 73.10 ATOM 1297 HA TYR 81 -29.288 42.106 -9.795 1.00 72.42 ATOM 1298 CB TYR 81 -30.888 42.698 -8.514 1.00 32.00 ATOM 1299 HB1 TYR 81 -31.158 43.566 -7.926 1.00 37.12 ATOM 1300 HB2 TYR 81 -30.682 41.874 -7.843 1.00 24.13 ATOM 1301 CG TYR 81 -32.068 42.318 -9.380 1.00 11.21 ATOM 1302 CD1 TYR 81 -32.202 41.029 -9.879 1.00 72.32 ATOM 1303 HD1 TYR 81 -31.449 40.290 -9.643 1.00 24.12 ATOM 1304 CD2 TYR 81 -33.050 43.249 -9.698 1.00 5.12 ATOM 1305 HD2 TYR 81 -32.964 44.258 -9.319 1.00 1.23 ATOM 1306 CE1 TYR 81 -33.278 40.678 -10.671 1.00 71.33 ATOM 1307 HE1 TYR 81 -33.364 39.670 -11.049 1.00 14.14 ATOM 1308 CE2 TYR 81 -34.130 42.907 -10.488 1.00 23.40 ATOM 1309 HE2 TYR 81 -34.882 43.645 -10.724 1.00 4.15 ATOM 1310 CZ TYR 81 -34.239 41.620 -10.973 1.00 33.13 ATOM 1311 OH TYR 81 -35.313 41.274 -11.760 1.00 73.12 ATOM 1312 HH TYR 81 -35.921 40.721 -11.259 1.00 60.20 ATOM 1313 C TYR 81 -29.931 44.051 -10.388 1.00 24.53 ATOM 1314 O TYR 81 -30.240 43.703 -11.528 1.00 24.45 ATOM 1315 N ARG 82 -29.844 45.324 -10.018 1.00 53.21 ATOM 1316 HN ARG 82 -29.573 45.546 -9.098 1.00 37.12 ATOM 1317 CA ARG 82 -30.115 46.411 -10.952 1.00 31.33 ATOM 1318 HA ARG 82 -31.005 46.155 -11.517 1.00 63.54 ATOM 1319 CB ARG 82 -30.386 47.710 -10.191 1.00 34.23 ATOM 1320 HB1 ARG 82 -30.715 48.467 -10.891 1.00 37.12 ATOM 1321 HB2 ARG 82 -29.467 48.042 -9.723 1.00 64.12 ATOM 1322 CG ARG 82 -31.435 47.569 -9.099 1.00 61.34 ATOM 1323 HG1 ARG 82 -31.446 48.478 -8.516 1.00 37.12 ATOM 1324 HG2 ARG 82 -31.192 46.739 -8.455 1.00 3.21 ATOM 1325 CD ARG 82 -32.822 47.353 -9.684 1.00 61.20 ATOM 1326 HD1 ARG 82 -32.835 46.410 -10.213 1.00 37.12 ATOM 1327 HD2 ARG 82 -33.023 48.159 -10.378 1.00 40.31 ATOM 1328 NE ARG 82 -33.855 47.336 -8.651 1.00 64.44 ATOM 1329 HE ARG 82 -33.572 47.184 -7.719 1.00 44.30 ATOM 1330 CZ ARG 82 -35.148 47.507 -8.902 1.00 43.03 ATOM 1331 NH1 ARG 82 -35.564 47.707 -10.145 1.00 54.00 ATOM 1332 HH11 ARG 82 -34.929 47.731 -10.913 1.00 12.35 ATOM 1333 HH12 ARG 82 -36.542 47.838 -10.322 1.00 61.44 ATOM 1334 NH2 ARG 82 -36.027 47.478 -7.909 1.00 50.01 ATOM 1335 HH21 ARG 82 -35.719 47.327 -6.968 1.00 44.20 ATOM 1336 HH22 ARG 82 -37.003 47.607 -8.096 1.00 2.32 ATOM 1337 C ARG 82 -28.946 46.606 -11.912 1.00 41.14 ATOM 1338 O ARG 82 -27.798 46.748 -11.490 1.00 70.22 ATOM 1339 N LYS 83 -29.245 46.612 -13.207 1.00 12.00 ATOM 1340 HN LYS 83 -30.179 46.485 -13.494 1.00 37.12 ATOM 1341 CA LYS 83 -28.221 46.791 -14.229 1.00 24.51 ATOM 1342 HA LYS 83 -27.288 47.081 -13.756 1.00 31.41 ATOM 1343 CB LYS 83 -27.994 45.481 -14.987 1.00 24.30 ATOM 1344 HB1 LYS 83 -27.393 45.671 -15.870 1.00 37.12 ATOM 1345 HB2 LYS 83 -28.955 45.099 -15.302 1.00 75.21 ATOM 1346 CG LYS 83 -27.316 44.406 -14.155 1.00 23.11 ATOM 1347 HG1 LYS 83 -27.611 43.447 -14.551 1.00 37.12 ATOM 1348 HG2 LYS 83 -27.643 44.482 -13.125 1.00 21.24 ATOM 1349 CD LYS 83 -25.802 44.535 -14.202 1.00 55.54 ATOM 1350 HD1 LYS 83 -25.493 45.283 -13.487 1.00 37.12 ATOM 1351 HD2 LYS 83 -25.489 44.832 -15.195 1.00 13.20 ATOM 1352 CE LYS 83 -25.119 43.220 -13.861 1.00 55.01 ATOM 1353 HE1 LYS 83 -25.520 42.839 -12.931 1.00 37.12 ATOM 1354 HE2 LYS 83 -24.061 43.403 -13.744 1.00 0.10 ATOM 1355 NZ LYS 83 -25.313 42.201 -14.929 1.00 74.24 ATOM 1356 HZ1 LYS 83 -24.739 41.359 -14.720 1.00 4.21 ATOM 1357 HZ2 LYS 83 -25.020 42.579 -15.854 1.00 54.04 ATOM 1358 HZ3 LYS 83 -26.310 41.916 -14.983 1.00 73.45 ATOM 1359 C LYS 83 -28.613 47.894 -15.206 1.00 11.21 ATOM 1360 O LYS 83 -29.234 47.632 -16.236 1.00 52.10 ATOM 1361 N ARG 84 -28.246 49.128 -14.876 1.00 44.14 ATOM 1362 HN ARG 84 -27.736 49.276 -14.044 1.00 37.12 ATOM 1363 CA ARG 84 -28.559 50.271 -15.725 1.00 53.14 ATOM 1364 HA ARG 84 -29.481 50.064 -16.257 1.00 2.31 ATOM 1365 CB ARG 84 -28.761 51.526 -14.874 1.00 22.12 ATOM 1366 HB1 ARG 84 -27.820 51.792 -14.411 1.00 37.12 ATOM 1367 HB2 ARG 84 -29.476 51.305 -14.092 1.00 64.55 ATOM 1368 CG ARG 84 -29.253 52.726 -15.665 1.00 52.53 ATOM 1369 HG1 ARG 84 -28.705 52.815 -16.591 1.00 37.12 ATOM 1370 HG2 ARG 84 -29.092 53.615 -15.073 1.00 45.24 ATOM 1371 CD ARG 84 -30.738 52.618 -15.976 1.00 42.10 ATOM 1372 HD1 ARG 84 -31.281 52.730 -15.048 1.00 37.12 ATOM 1373 HD2 ARG 84 -30.947 51.646 -16.402 1.00 62.04 ATOM 1374 NE ARG 84 -31.176 53.644 -16.919 1.00 20.32 ATOM 1375 HE ARG 84 -30.484 54.131 -17.426 1.00 21.43 ATOM 1376 CZ ARG 84 -32.451 53.949 -17.132 1.00 50.14 ATOM 1377 NH1 ARG 84 -33.408 53.311 -16.473 1.00 53.22 ATOM 1378 HH11 ARG 84 -33.200 52.594 -15.812 1.00 74.12 ATOM 1379 HH12 ARG 84 -34.367 53.552 -16.639 1.00 64.10 ATOM 1380 NH2 ARG 84 -32.771 54.895 -18.007 1.00 25.24 ATOM 1381 HH21 ARG 84 -32.052 55.381 -18.509 1.00 44.12 ATOM 1382 HH22 ARG 84 -33.732 55.127 -18.170 1.00 31.23 ATOM 1383 C ARG 84 -27.452 50.510 -16.747 1.00 63.55 ATOM 1384 O ARG 84 -26.634 51.417 -16.593 1.00 51.01 ATOM 1385 N LYS 85 -27.431 49.688 -17.792 1.00 4.23 ATOM 1386 HN LYS 85 -28.103 48.968 -17.856 1.00 37.12 ATOM 1387 CA LYS 85 -26.425 49.809 -18.840 1.00 63.34 ATOM 1388 HA LYS 85 -26.152 50.856 -18.936 1.00 23.12 ATOM 1389 CB LYS 85 -25.177 49.001 -18.474 1.00 53.43 ATOM 1390 HB1 LYS 85 -24.552 48.898 -19.355 1.00 37.12 ATOM 1391 HB2 LYS 85 -25.481 48.018 -18.144 1.00 24.22 ATOM 1392 CG LYS 85 -24.344 49.635 -17.374 1.00 31.14 ATOM 1393 HG1 LYS 85 -24.890 49.561 -16.443 1.00 37.12 ATOM 1394 HG2 LYS 85 -24.172 50.676 -17.612 1.00 54.23 ATOM 1395 CD LYS 85 -23.000 48.942 -17.223 1.00 0.40 ATOM 1396 HD1 LYS 85 -22.373 49.209 -18.061 1.00 37.12 ATOM 1397 HD2 LYS 85 -23.146 47.870 -17.206 1.00 65.34 ATOM 1398 CE LYS 85 -22.303 49.353 -15.935 1.00 22.20 ATOM 1399 HE1 LYS 85 -22.944 49.117 -15.097 1.00 37.12 ATOM 1400 HE2 LYS 85 -22.122 50.418 -15.959 1.00 72.05 ATOM 1401 NZ LYS 85 -21.003 48.648 -15.759 1.00 44.33 ATOM 1402 HZ1 LYS 85 -21.152 47.618 -15.723 1.00 34.12 ATOM 1403 HZ2 LYS 85 -20.553 48.950 -14.871 1.00 63.41 ATOM 1404 HZ3 LYS 85 -20.361 48.869 -16.549 1.00 43.43 ATOM 1405 C LYS 85 -26.976 49.333 -20.180 1.00 71.45 ATOM 1406 O LYS 85 -27.702 48.340 -20.247 1.00 74.02 ATOM 1407 N LEU 86 -26.626 50.045 -21.246 1.00 30.13 ATOM 1408 HN LEU 86 -26.052 50.840 -21.134 1.00 37.12 ATOM 1409 CA LEU 86 -27.085 49.694 -22.585 1.00 62.03 ATOM 1410 HA LEU 86 -27.378 48.649 -22.594 1.00 73.55 ATOM 1411 CB LEU 86 -28.304 50.536 -22.965 1.00 42.43 ATOM 1412 HB1 LEU 86 -28.109 51.557 -22.660 1.00 37.12 ATOM 1413 HB2 LEU 86 -29.152 50.171 -22.400 1.00 12.12 ATOM 1414 CG LEU 86 -28.677 50.546 -24.448 1.00 50.21 ATOM 1415 HG LEU 86 -27.842 50.900 -25.033 1.00 4.24 ATOM 1416 CD1 LEU 86 -29.019 49.142 -24.922 1.00 2.11 ATOM 1417 HD11 LEU 86 -29.639 48.636 -24.192 1.00 50.11 ATOM 1418 HD12 LEU 86 -28.107 48.602 -25.061 1.00 74.41 ATOM 1419 HD13 LEU 86 -29.544 49.187 -25.868 1.00 44.52 ATOM 1420 CD2 LEU 86 -29.841 51.494 -24.699 1.00 30.23 ATOM 1421 HD21 LEU 86 -30.708 51.164 -24.142 1.00 34.24 ATOM 1422 HD22 LEU 86 -30.077 51.508 -25.754 1.00 63.44 ATOM 1423 HD23 LEU 86 -29.570 52.492 -24.383 1.00 45.15 ATOM 1424 C LEU 86 -25.974 49.895 -23.611 1.00 70.52 ATOM 1425 O LEU 86 -25.612 51.025 -23.935 1.00 14.32 ATOM 1426 N GLU 87 -25.439 48.789 -24.120 1.00 42.22 ATOM 1427 HN GLU 87 -25.743 47.914 -23.798 1.00 37.12 ATOM 1428 CA GLU 87 -24.370 48.845 -25.111 1.00 32.22 ATOM 1429 HA GLU 87 -24.665 49.562 -25.873 1.00 31.44 ATOM 1430 CB GLU 87 -23.066 49.312 -24.461 1.00 21.41 ATOM 1431 HB1 GLU 87 -22.538 48.466 -24.039 1.00 37.12 ATOM 1432 HB2 GLU 87 -23.304 49.994 -23.654 1.00 52.33 ATOM 1433 CG GLU 87 -22.144 50.056 -25.412 1.00 55.51 ATOM 1434 HG1 GLU 87 -21.537 50.738 -24.834 1.00 37.12 ATOM 1435 HG2 GLU 87 -22.733 50.622 -26.122 1.00 44.24 ATOM 1436 CD GLU 87 -21.221 49.128 -26.177 1.00 32.22 ATOM 1437 OE1 GLU 87 -20.727 48.152 -25.574 1.00 13.54 ATOM 1438 OE2 GLU 87 -20.993 49.377 -27.379 1.00 51.12 ATOM 1439 C GLU 87 -24.165 47.482 -25.767 1.00 11.50 ATOM 1440 O GLU 87 -23.666 46.547 -25.140 1.00 75.24 ATOM 1441 N THR 88 -24.554 47.378 -27.034 1.00 30.20 ATOM 1442 HN THR 88 -24.948 48.154 -27.493 1.00 37.12 ATOM 1443 CA THR 88 -24.415 46.131 -27.776 1.00 32.25 ATOM 1444 HA THR 88 -24.820 46.298 -28.766 1.00 30.31 ATOM 1445 CB THR 88 -22.938 45.710 -27.895 1.00 34.53 ATOM 1446 HB THR 88 -22.717 44.914 -27.195 1.00 43.33 ATOM 1447 OG1 THR 88 -22.086 46.816 -27.578 1.00 72.11 ATOM 1448 HG1 THR 88 -22.222 47.545 -28.199 1.00 11.30 ATOM 1449 CG2 THR 88 -22.630 45.210 -29.298 1.00 44.52 ATOM 1450 HG21 THR 88 -21.591 44.922 -29.355 1.00 52.54 ATOM 1451 HG22 THR 88 -22.824 45.996 -30.014 1.00 15.33 ATOM 1452 HG23 THR 88 -23.252 44.355 -29.523 1.00 34.03 ATOM 1453 C THR 88 -25.201 45.006 -27.111 1.00 62.25 ATOM 1454 O THR 88 -24.792 43.845 -27.149 1.00 73.23 ATOM 1455 N ILE 89 -26.329 45.357 -26.505 1.00 34.24 ATOM 1456 HN ILE 89 -26.633 46.291 -26.554 1.00 37.12 ATOM 1457 CA ILE 89 -27.173 44.375 -25.834 1.00 3.22 ATOM 1458 HA ILE 89 -26.569 43.851 -25.104 1.00 31.33 ATOM 1459 CB ILE 89 -28.352 45.049 -25.108 1.00 32.33 ATOM 1460 HB ILE 89 -28.983 45.526 -25.846 1.00 52.31 ATOM 1461 CG1 ILE 89 -27.840 46.112 -24.134 1.00 21.33 ATOM 1462 HG11 ILE 89 -28.678 46.567 -23.624 1.00 37.12 ATOM 1463 HG12 ILE 89 -27.312 46.866 -24.682 1.00 60.03 ATOM 1464 CG2 ILE 89 -29.186 44.009 -24.375 1.00 33.23 ATOM 1465 HG21 ILE 89 -28.546 43.373 -23.778 1.00 44.15 ATOM 1466 HG22 ILE 89 -29.728 43.406 -25.088 1.00 44.43 ATOM 1467 HG23 ILE 89 -29.898 44.503 -23.726 1.00 54.02 ATOM 1468 CD1 ILE 89 -26.897 45.565 -23.084 1.00 54.51 ATOM 1469 HD11 ILE 89 -26.664 46.349 -22.378 1.00 74.32 ATOM 1470 HD12 ILE 89 -25.984 45.229 -23.550 1.00 44.21 ATOM 1471 HD13 ILE 89 -27.358 44.743 -22.558 1.00 42.21 ATOM 1472 C ILE 89 -27.718 43.351 -26.823 1.00 64.13 ATOM 1473 O ILE 89 -28.037 42.221 -26.452 1.00 5.32 ATOM 1474 N VAL 90 -27.820 43.753 -28.086 1.00 72.43 ATOM 1475 HN VAL 90 -27.598 44.677 -28.335 1.00 37.12 ATOM 1476 CA VAL 90 -28.324 42.869 -29.131 1.00 65.11 ATOM 1477 HA VAL 90 -28.392 41.858 -28.736 1.00 51.34 ATOM 1478 CB VAL 90 -29.732 43.289 -29.591 1.00 40.44 ATOM 1479 HB VAL 90 -29.679 44.294 -29.988 1.00 14.13 ATOM 1480 CG1 VAL 90 -30.230 42.368 -30.695 1.00 15.54 ATOM 1481 HG11 VAL 90 -29.651 42.521 -31.593 1.00 65.13 ATOM 1482 HG12 VAL 90 -31.268 42.586 -30.910 1.00 33.30 ATOM 1483 HG13 VAL 90 -30.142 41.336 -30.381 1.00 75.34 ATOM 1484 CG2 VAL 90 -30.696 43.296 -28.415 1.00 55.51 ATOM 1485 HG21 VAL 90 -30.754 42.306 -27.985 1.00 70.24 ATOM 1486 HG22 VAL 90 -31.678 43.598 -28.753 1.00 52.41 ATOM 1487 HG23 VAL 90 -30.351 43.993 -27.665 1.00 31.14 ATOM 1488 C VAL 90 -27.390 42.855 -30.336 1.00 41.22 ATOM 1489 O VAL 90 -27.012 43.907 -30.853 1.00 35.45 ATOM 1490 N GLN 91 -27.022 41.657 -30.779 1.00 41.42 ATOM 1491 HN GLN 91 -27.370 40.846 -30.336 1.00 37.12 ATOM 1492 HA GLN 91 -25.467 42.361 -31.953 1.00 4.11 ATOM 1493 CB GLN 91 -25.308 40.225 -31.792 1.00 71.00 ATOM 1494 HB1 GLN 91 -25.049 39.852 -32.777 1.00 37.12 ATOM 1495 HB2 GLN 91 -25.899 39.475 -31.286 1.00 21.11 ATOM 1496 CG GLN 91 -24.016 40.410 -31.013 1.00 63.42 ATOM 1497 HG1 GLN 91 -23.531 39.449 -30.913 1.00 37.12 ATOM 1498 HG2 GLN 91 -24.254 40.793 -30.031 1.00 54.22 ATOM 1499 CD GLN 91 -23.060 41.374 -31.688 1.00 73.00 ATOM 1500 OE1 GLN 91 -23.035 42.564 -31.372 1.00 24.32 ATOM 1501 NE2 GLN 91 -22.268 40.865 -32.624 1.00 23.22 ATOM 1502 HE21 GLN 91 -22.332 39.906 -32.836 1.00 73.13 ATOM 1503 HE22 GLN 91 -21.643 41.473 -33.072 1.00 11.52 ATOM 1504 CA GLN 91 -26.132 41.507 -31.924 1.00 43.22 ATOM 1505 C GLN 91 -26.922 41.486 -33.229 1.00 4.03 ATOM 1506 OT1 GLN 91 -27.839 40.644 -33.356 1.00 37.12 ATOM 1507 OT2 GLN 91 -26.620 42.312 -34.118 1.00 37.12 ATOM 1508 OH2 TIP3 1 -28.641 12.383 9.402 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -28.690 11.428 9.365 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -29.467 12.651 9.804 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -31.359 16.251 10.509 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -31.159 16.675 9.674 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -30.703 16.594 11.116 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -28.868 14.866 -5.005 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -28.125 15.452 -5.145 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -29.563 15.434 -4.672 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -28.930 14.913 4.385 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -28.952 15.098 5.324 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -28.240 15.482 4.044 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -29.367 14.480 7.307 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -29.854 13.745 6.936 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.818 14.087 7.985 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -30.212 14.783 -2.035 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -30.406 14.035 -2.600 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -30.251 15.541 -2.619 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.868 14.866 13.851 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -28.125 15.452 13.711 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -29.563 15.434 14.184 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -31.359 35.107 -27.203 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -31.159 35.531 -28.038 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -30.703 35.450 -26.596 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -28.930 33.769 -33.327 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -28.952 33.954 -32.388 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -28.240 34.338 -33.668 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -32.341 34.955 -31.460 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -32.523 35.871 -31.671 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -32.165 34.545 -32.307 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -29.067 21.043 -11.789 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -29.756 21.701 -11.884 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -29.052 20.846 -10.852 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -31.196 28.558 -11.031 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -31.056 27.967 -11.770 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -31.028 29.431 -11.387 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -29.354 24.898 -12.965 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -30.006 25.593 -12.876 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -28.889 25.108 -13.775 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -31.489 22.732 -8.974 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -31.896 23.213 -9.694 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -31.448 21.827 -9.281 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -31.359 35.107 -8.347 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -31.159 35.531 -9.182 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -30.703 35.450 -7.740 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -34.791 30.235 -10.715 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -35.692 30.418 -10.983 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -34.757 30.494 -9.794 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -29.096 28.280 -9.511 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -29.948 28.518 -9.878 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -28.506 28.263 -10.264 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -32.916 32.865 -10.667 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -33.518 32.310 -11.162 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -32.635 33.532 -11.293 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -31.646 33.119 -14.700 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -31.802 33.797 -15.357 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -30.714 33.191 -14.497 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -34.758 31.089 -8.123 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -35.109 30.233 -7.880 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -34.032 31.232 -7.516 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -33.635 27.486 -10.702 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -32.890 28.074 -10.822 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -34.392 28.068 -10.639 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -33.180 25.577 -8.803 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -33.461 26.286 -9.381 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -32.237 25.504 -8.954 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -28.930 33.769 -14.471 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -28.952 33.954 -13.532 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -28.240 34.338 -14.812 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -29.462 28.221 -14.625 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -28.628 27.843 -14.906 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -29.350 29.164 -14.744 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -30.975 31.099 -12.318 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -31.623 31.424 -11.693 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -31.493 30.659 -12.993 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -30.578 25.927 -9.371 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -29.995 25.193 -9.180 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -30.014 26.699 -9.325 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -29.081 23.830 -8.687 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -29.944 23.451 -8.852 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -28.477 23.091 -8.761 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -28.800 16.838 -6.982 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -28.450 16.184 -7.588 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -28.653 17.675 -7.422 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -29.280 18.947 -8.633 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -30.197 19.218 -8.669 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -29.157 18.412 -9.417 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -35.197 34.447 -9.894 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -34.520 33.815 -10.134 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -34.875 34.849 -9.086 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -37.273 34.507 -13.844 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -37.730 35.036 -14.498 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -37.110 35.110 -13.119 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -34.946 33.385 -12.899 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -35.850 33.550 -13.165 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -34.517 34.238 -12.965 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -32.341 34.955 -12.604 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -32.523 35.871 -12.815 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -32.165 34.545 -13.451 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -35.444 26.276 0.145 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -35.355 27.220 0.013 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -36.083 26.001 -0.513 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -36.511 25.531 3.564 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -36.549 24.885 4.269 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -36.834 25.065 2.793 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -38.122 27.964 3.970 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -37.818 27.278 3.376 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -37.400 28.082 4.588 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -29.459 19.565 4.831 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -29.410 20.175 5.567 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -29.033 20.026 4.108 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -34.981 22.358 4.298 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -34.838 21.411 4.318 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -35.087 22.565 3.369 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -34.104 20.590 -0.029 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -33.458 20.261 0.596 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -33.594 21.108 -0.652 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -29.067 21.043 7.067 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -29.756 21.701 6.972 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.052 20.846 8.004 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -35.647 28.877 -0.812 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -35.943 28.555 -1.663 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -35.971 29.777 -0.770 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -32.340 19.881 1.952 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -32.555 19.115 2.484 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -31.684 20.353 2.465 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -32.293 30.310 4.214 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -33.235 30.368 4.375 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -32.017 31.216 4.077 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -31.993 18.596 5.631 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -32.729 19.207 5.593 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -31.309 19.011 5.105 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -34.041 32.091 0.839 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -33.616 31.384 0.354 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -33.724 32.892 0.422 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -32.882 29.992 -0.652 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -33.139 29.302 -1.264 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -32.811 29.549 0.193 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -36.723 25.520 -2.403 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -37.435 26.055 -2.754 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -36.032 25.576 -3.063 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -33.317 25.730 -1.451 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -34.049 25.958 -0.878 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -32.870 25.016 -0.996 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -34.996 30.632 4.799 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -35.237 31.294 5.447 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -35.194 29.798 5.224 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -34.446 24.892 -3.766 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -33.867 25.042 -3.019 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -34.032 25.363 -4.489 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -30.748 16.642 -3.953 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -31.647 16.781 -3.658 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -30.496 17.473 -4.355 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -28.641 31.239 9.402 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -28.690 30.284 9.365 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -29.467 31.507 9.804 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -34.146 33.739 -4.913 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -33.771 32.995 -5.384 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -34.142 33.469 -3.995 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -34.477 33.665 -2.164 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -35.412 33.765 -1.985 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -34.197 32.956 -1.586 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -31.489 22.732 9.882 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -31.896 23.213 9.162 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -31.448 21.827 9.575 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -33.732 21.064 8.103 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -34.246 20.938 8.900 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -33.887 21.976 7.858 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -32.969 25.925 -6.136 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -32.927 25.702 -7.066 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -32.120 26.323 -5.946 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -36.097 23.189 -1.301 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -36.506 24.004 -1.593 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -35.377 23.049 -1.916 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -36.995 23.364 10.187 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -37.558 22.660 10.507 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -36.169 23.244 10.654 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -35.093 22.635 1.513 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -35.288 23.240 0.798 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -34.911 21.801 1.078 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -34.646 19.435 4.232 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.323 19.566 4.896 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -35.132 19.280 3.422 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -37.731 22.988 2.855 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -37.167 22.441 2.308 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -37.879 22.466 3.644 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -39.105 21.376 5.269 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -39.940 21.830 5.379 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -38.581 21.652 6.021 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -37.041 27.773 8.191 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -37.387 27.392 8.997 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -37.241 28.707 8.262 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -33.945 22.270 -3.186 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -33.053 22.133 -2.867 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -33.888 23.061 -3.723 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -36.435 29.048 -4.021 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -36.730 29.874 -3.639 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -37.138 28.428 -3.825 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -34.791 30.235 8.141 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -35.692 30.418 7.873 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -34.757 30.494 9.062 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -29.096 28.280 9.345 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -29.948 28.518 8.978 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -28.506 28.263 8.592 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -35.575 28.313 5.720 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -36.001 28.086 6.546 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -34.994 27.575 5.537 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -33.372 29.242 -5.206 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -33.019 28.862 -4.402 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -34.321 29.149 -5.120 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -32.916 32.865 8.189 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -33.518 32.310 7.694 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -32.635 33.532 7.563 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -36.059 19.839 6.486 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -35.361 19.913 7.136 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -36.440 18.975 6.641 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -37.539 22.205 7.603 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -37.420 22.779 8.360 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -36.884 21.517 7.718 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -31.335 20.112 8.438 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -32.251 20.375 8.350 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -30.999 20.109 7.541 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -31.646 33.119 4.156 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -31.802 33.797 3.499 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -30.714 33.191 4.359 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -34.758 31.089 10.733 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -35.109 30.233 10.976 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -34.032 31.232 11.340 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -32.639 32.034 -6.387 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -32.356 31.240 -5.934 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -31.899 32.267 -6.948 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -36.332 28.991 -6.794 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -36.600 29.171 -5.893 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -36.538 28.065 -6.925 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -36.226 26.280 11.410 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -35.273 26.364 11.382 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -36.386 25.569 12.029 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -38.912 24.973 6.947 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -38.161 24.817 6.374 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -39.251 25.825 6.671 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -34.496 22.788 11.975 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -34.304 21.857 11.864 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -33.639 23.213 11.965 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -33.180 25.577 10.053 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -33.461 26.286 9.475 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -32.237 25.504 9.902 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -35.708 20.439 9.778 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -36.656 20.471 9.910 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -35.396 19.814 10.432 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -28.930 33.769 4.385 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -28.952 33.954 5.324 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.240 34.338 4.044 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -29.367 33.336 7.307 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -29.854 32.601 6.936 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -28.818 32.943 7.985 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -30.916 29.126 11.945 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -31.782 29.021 12.339 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -30.540 29.885 12.392 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -30.975 31.099 6.538 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -31.623 31.424 7.163 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -31.493 30.659 5.863 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -30.604 22.577 -5.775 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -30.507 23.244 -6.455 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -30.744 21.761 -6.257 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -31.434 23.957 -0.154 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -31.584 23.012 -0.174 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -31.788 24.238 0.690 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -29.081 23.830 10.169 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -29.944 23.451 10.004 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -28.477 23.091 10.095 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -31.356 19.985 -6.658 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -30.746 19.613 -6.021 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -32.193 19.563 -6.462 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -31.724 21.540 -1.692 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -31.444 20.633 -1.567 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -30.965 21.974 -2.081 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -28.800 16.838 11.874 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -28.450 16.184 11.268 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -28.653 17.675 11.434 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -31.110 18.803 -1.643 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -30.928 18.354 -0.818 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -31.710 18.218 -2.107 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -29.280 18.947 10.223 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -30.197 19.218 10.187 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -29.157 18.412 9.439 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -29.244 18.870 -5.115 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -28.831 18.149 -5.591 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -28.562 19.540 -5.057 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -32.192 33.859 -0.043 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -31.539 33.512 -0.651 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -31.681 34.348 0.603 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -30.279 17.037 8.042 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -31.092 17.362 7.654 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -30.046 16.277 7.509 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -29.980 17.732 0.811 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -29.368 17.218 0.284 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -29.597 18.610 0.834 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -30.212 33.639 -2.035 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -30.406 32.891 -2.600 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -30.251 34.397 -2.619 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -32.969 25.925 12.720 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -32.927 25.702 11.790 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -32.120 26.323 12.910 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -29.060 22.480 15.364 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -29.614 22.084 14.692 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -28.959 23.390 15.087 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -30.074 26.514 12.340 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -30.347 26.089 11.527 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -30.034 27.445 12.123 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -28.953 25.337 14.530 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -29.474 25.694 13.811 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -28.986 26.012 15.208 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -30.604 22.577 13.081 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -30.507 23.244 12.401 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -30.744 21.761 12.599 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -31.356 19.985 12.198 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -30.746 19.613 12.835 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -32.193 19.563 12.394 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -29.244 18.870 13.741 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -28.831 18.149 13.265 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -28.562 19.540 13.799 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.511 44.387 -34.148 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -36.549 43.741 -33.443 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -36.834 43.921 -34.919 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.805 47.326 -35.846 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -33.246 46.606 -35.396 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -32.818 48.047 -35.216 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -34.981 41.214 -33.414 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -34.838 40.267 -33.394 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -35.087 41.421 -34.343 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.104 39.446 -37.741 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -33.458 39.117 -37.116 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -33.594 39.964 -38.364 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -32.340 38.737 -35.760 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -32.555 37.971 -35.228 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -31.684 39.209 -35.247 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -32.293 49.166 -33.498 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -33.235 49.224 -33.337 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -32.017 50.072 -33.635 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -31.993 37.452 -32.081 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -32.729 38.063 -32.119 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -31.309 37.867 -32.607 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -31.196 47.414 -29.887 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -31.056 46.823 -30.626 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -31.028 48.287 -30.243 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -33.732 39.920 -29.609 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -34.246 39.794 -28.812 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -33.887 40.832 -29.854 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -36.995 42.220 -27.525 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -37.558 41.516 -27.205 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -36.169 42.100 -27.058 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -35.093 41.491 -36.199 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -35.288 42.096 -36.914 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -34.911 40.657 -36.634 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -35.829 43.129 -31.528 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -35.505 42.498 -32.171 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -36.269 42.594 -30.867 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -34.646 38.291 -33.480 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -35.323 38.422 -32.816 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -35.132 38.136 -34.290 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -37.041 46.629 -29.521 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -37.387 46.248 -28.715 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -37.241 47.563 -29.450 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -34.791 49.091 -29.571 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.692 49.274 -29.839 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -34.757 49.350 -28.650 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -29.060 41.336 -41.204 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -29.614 40.940 -41.876 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -28.959 42.246 -41.481 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -33.604 44.930 -33.717 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -34.532 44.698 -33.744 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -33.153 44.153 -34.047 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -35.575 47.169 -31.992 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -36.001 46.942 -31.166 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -34.994 46.431 -32.175 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -32.916 51.721 -29.523 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -33.518 51.166 -30.018 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -32.635 52.388 -30.149 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -36.059 38.695 -31.226 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -35.361 38.769 -30.576 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -36.440 37.831 -31.071 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -37.539 41.061 -30.109 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -37.420 41.635 -29.352 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -36.884 40.373 -29.994 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -32.733 42.719 -35.178 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -33.530 42.304 -35.507 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -32.288 42.028 -34.687 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -34.758 49.945 -26.979 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -35.109 49.089 -26.736 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -34.032 50.088 -26.372 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -33.635 46.342 -29.558 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -32.890 46.930 -29.678 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -34.392 46.924 -29.495 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -36.226 45.136 -26.302 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -35.273 45.220 -26.330 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -36.386 44.425 -25.683 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -34.496 41.644 -25.737 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.304 40.713 -25.848 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -33.639 42.069 -25.747 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -35.708 39.295 -27.934 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -36.656 39.327 -27.802 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -35.396 38.670 -27.280 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -34.074 37.929 -25.929 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -34.171 36.977 -25.935 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -34.396 38.198 -25.068 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -29.367 52.192 -30.405 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -29.854 51.457 -30.776 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -28.818 51.799 -29.727 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -29.615 46.239 -40.253 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -28.765 46.660 -40.125 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -29.610 45.499 -39.645 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -29.221 44.292 -38.429 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -29.947 43.813 -38.031 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -28.640 44.498 -37.697 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -29.462 47.077 -33.481 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -28.628 46.699 -33.762 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -29.350 48.020 -33.600 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -30.975 49.955 -31.174 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -31.623 50.280 -30.549 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -31.493 49.515 -31.849 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -31.434 42.813 -37.866 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -31.584 41.868 -37.886 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -31.788 43.094 -37.022 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -31.724 40.396 -39.404 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -31.444 39.489 -39.279 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -30.965 40.830 -39.793 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -28.800 35.694 -25.838 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -28.450 35.040 -26.444 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -28.653 36.531 -26.278 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -31.110 37.659 -39.355 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -30.928 37.210 -38.530 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.710 37.074 -39.819 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -29.280 37.803 -27.489 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -30.197 38.074 -27.525 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -29.157 37.268 -28.273 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -35.197 53.303 -28.750 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -34.520 52.671 -28.990 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -34.875 53.705 -27.942 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -30.279 35.893 -29.670 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -31.092 36.218 -30.058 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -30.046 35.133 -30.203 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -32.341 53.811 -31.460 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -32.523 54.727 -31.671 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -32.165 53.401 -32.307 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -31.707 35.449 -35.235 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -31.103 35.997 -35.736 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -32.576 35.769 -35.475 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -29.980 36.588 -36.901 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.368 36.074 -37.428 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -29.597 37.466 -36.878 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -35.444 45.132 -18.711 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -35.355 46.076 -18.843 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -36.083 44.857 -19.369 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -36.511 44.387 -15.292 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -36.549 43.741 -14.587 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -36.834 43.921 -16.063 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -38.122 46.820 -14.886 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -37.818 46.134 -15.480 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -37.400 46.938 -14.268 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -29.459 38.421 -14.025 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -29.410 39.031 -13.289 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -29.033 38.882 -14.748 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -34.104 39.446 -18.885 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -33.458 39.117 -18.260 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -33.594 39.964 -19.508 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -40.050 43.262 -17.308 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -39.434 42.736 -16.799 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -40.636 42.622 -17.712 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -35.647 47.733 -19.668 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -35.943 47.411 -20.519 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -35.971 48.633 -19.626 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -40.447 45.909 -12.924 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -41.187 46.507 -12.821 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -39.733 46.463 -13.240 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -32.340 38.737 -16.904 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -32.555 37.971 -16.372 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -31.684 39.209 -16.391 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -42.039 47.873 -12.137 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -42.045 48.752 -12.515 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -42.893 47.790 -11.712 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -31.993 37.452 -13.225 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -32.729 38.063 -13.263 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -31.309 37.867 -13.751 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -38.990 35.539 -15.759 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -39.107 34.590 -15.813 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -39.845 35.871 -15.486 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -32.882 48.848 -19.508 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -33.139 48.158 -20.120 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -32.811 48.405 -18.663 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -36.669 42.834 -24.220 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -35.968 42.856 -23.569 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -36.367 42.206 -24.876 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -33.317 44.586 -20.307 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -34.049 44.814 -19.734 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -32.870 43.872 -19.852 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -40.305 48.644 -15.743 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -40.400 48.066 -16.500 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -39.576 48.273 -15.247 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -41.305 43.985 -14.791 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -40.740 44.106 -15.554 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -40.986 44.622 -14.152 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -34.996 49.488 -14.057 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -35.237 50.150 -13.409 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -35.194 48.654 -13.632 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -40.425 48.384 -10.074 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -40.737 49.166 -9.618 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -41.075 48.231 -10.760 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -34.446 43.748 -22.622 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -33.867 43.898 -21.875 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -34.032 44.219 -23.345 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -36.720 50.485 -19.187 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -36.246 50.780 -18.409 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -37.283 51.223 -19.420 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -42.186 50.456 -9.310 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -42.178 50.320 -10.258 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -43.102 50.338 -9.058 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -37.248 53.441 -20.772 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -37.323 53.320 -21.718 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -37.215 54.391 -20.653 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -34.146 52.595 -23.769 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -33.771 51.851 -24.240 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -34.142 52.325 -22.851 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -34.477 52.521 -21.020 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -35.412 52.621 -20.841 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -34.197 51.812 -20.442 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -37.058 36.164 -11.607 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -36.638 35.749 -10.854 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -37.991 35.986 -11.490 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -41.630 41.408 -13.886 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -42.272 41.367 -13.177 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -41.593 42.334 -14.124 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -35.093 41.491 -17.343 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -35.288 42.096 -18.058 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.911 40.657 -17.778 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -39.051 39.056 -17.888 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -39.962 39.113 -17.599 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -38.546 38.996 -17.077 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -34.646 38.291 -14.624 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -35.323 38.422 -13.960 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -35.132 38.136 -15.434 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -31.359 53.963 -8.347 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -31.159 54.387 -9.182 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -30.703 54.306 -7.740 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -43.761 46.437 -8.739 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -43.028 46.691 -8.178 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -44.541 46.641 -8.224 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -37.731 41.844 -16.001 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -37.167 41.297 -16.548 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -37.879 41.322 -15.212 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -39.105 40.232 -13.587 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -39.940 40.686 -13.477 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -38.581 40.508 -12.835 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -34.663 39.259 -23.703 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -35.601 39.371 -23.854 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -34.366 40.116 -23.397 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -33.945 41.126 -22.042 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -33.053 40.989 -21.723 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -33.888 41.917 -22.579 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -36.435 47.904 -22.877 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -36.730 48.730 -22.495 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -37.138 47.284 -22.681 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -39.411 43.718 -8.605 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -39.707 43.552 -9.500 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -38.480 43.498 -8.615 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -33.604 44.930 -14.861 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -34.532 44.698 -14.888 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -33.153 44.153 -15.191 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -39.119 51.070 -12.837 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -38.756 51.925 -13.070 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -38.587 50.778 -12.096 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -33.372 48.098 -24.062 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -33.019 47.718 -23.258 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -34.321 48.005 -23.976 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -32.916 51.721 -10.667 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -33.518 51.166 -11.162 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -32.635 52.388 -11.293 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -32.506 46.771 -21.836 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -32.783 46.043 -21.280 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -31.579 46.890 -21.630 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -37.606 50.478 -22.410 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -38.423 50.975 -22.357 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -37.077 50.953 -23.050 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -32.733 42.719 -16.322 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -33.530 42.304 -16.651 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -32.288 42.028 -15.831 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -41.335 51.565 -6.852 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -40.567 51.106 -6.511 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -41.356 51.339 -7.782 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -37.243 51.073 -25.477 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -37.887 50.442 -25.155 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -36.481 50.542 -25.709 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -36.332 47.847 -25.650 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -36.600 48.027 -24.749 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -36.538 46.921 -25.781 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -41.246 42.665 -10.724 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -41.864 43.340 -10.443 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -40.902 42.986 -11.557 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -40.906 40.020 -9.641 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -40.756 39.291 -10.244 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -40.904 40.797 -10.200 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -40.494 38.390 -12.149 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -39.958 38.841 -12.801 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -41.346 38.282 -12.571 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -38.912 43.829 -11.909 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -38.161 43.673 -12.482 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -39.251 44.681 -12.185 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -39.688 35.846 -11.717 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -39.786 36.793 -11.823 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -40.431 35.474 -12.193 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -38.424 40.168 -8.154 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -38.660 39.948 -7.252 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -39.207 39.961 -8.663 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -34.074 37.929 -7.073 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -34.171 36.977 -7.079 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -34.396 38.198 -6.212 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -39.466 35.140 -9.046 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -38.754 34.500 -9.060 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -39.567 35.407 -9.960 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -39.113 36.823 -6.992 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -39.244 36.347 -7.813 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -39.712 37.567 -7.048 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -29.221 44.292 -19.573 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -29.947 43.813 -19.175 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -28.640 44.498 -18.841 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -31.434 42.813 -19.010 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -31.584 41.868 -19.030 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -31.788 43.094 -18.166 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -31.356 38.841 -25.514 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -30.746 38.469 -24.877 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -32.193 38.419 -25.318 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -31.724 40.396 -20.548 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -31.444 39.489 -20.423 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -30.965 40.830 -20.937 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -31.112 40.977 -15.112 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -30.179 41.189 -15.146 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -31.347 41.079 -14.189 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -31.110 37.659 -20.499 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -30.928 37.210 -19.674 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -31.710 37.074 -20.963 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -29.244 37.726 -23.971 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -28.831 37.005 -24.447 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -28.562 38.396 -23.913 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -41.853 50.619 -12.097 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -42.278 51.428 -12.380 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -40.948 50.704 -12.399 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -37.542 52.018 -9.138 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -37.357 51.684 -8.260 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -36.695 52.327 -9.460 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -35.197 53.303 -9.894 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -34.520 52.671 -10.134 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -34.875 53.705 -9.086 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -30.279 35.893 -10.814 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -31.092 36.218 -11.202 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -30.046 35.133 -11.347 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -37.273 53.363 -13.844 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -37.730 53.892 -14.498 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -37.110 53.966 -13.119 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -34.946 52.241 -12.899 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -35.850 52.406 -13.165 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -34.517 53.094 -12.965 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -40.358 51.678 -15.636 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -40.145 50.790 -15.923 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -40.293 51.644 -14.681 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -36.849 37.342 -16.491 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -37.524 36.713 -16.236 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -36.285 36.858 -17.094 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -31.707 35.449 -16.379 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -31.103 35.997 -16.880 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -32.576 35.769 -16.619 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -29.980 36.588 -18.045 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -29.368 36.074 -18.572 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -29.597 37.466 -18.022 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -34.386 35.933 -17.207 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -34.310 36.028 -18.156 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -34.662 35.025 -17.078 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -36.921 52.932 -23.571 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -36.055 53.298 -23.749 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -37.168 52.492 -24.384 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -34.170 35.173 -7.434 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -34.094 34.747 -6.580 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -33.277 35.187 -7.776 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -29.459 38.421 4.831 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -29.410 39.031 5.567 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -29.033 38.882 4.108 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -34.104 39.446 -0.029 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -33.458 39.117 0.596 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -33.594 39.964 -0.652 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -35.647 47.733 -0.812 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -35.943 47.411 -1.663 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -35.971 48.633 -0.770 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -32.340 38.737 1.952 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -32.555 37.971 2.484 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -31.684 39.209 2.465 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -36.723 44.376 -2.403 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -37.435 44.911 -2.754 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -36.032 44.432 -3.063 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -36.669 42.834 -5.364 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -35.968 42.856 -4.713 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -36.367 42.206 -6.020 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -33.317 44.586 -1.451 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -34.049 44.814 -0.878 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -32.870 43.872 -0.996 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -34.446 43.748 -3.766 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -33.867 43.898 -3.019 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -34.032 44.219 -4.489 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -29.558 49.864 -5.576 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -29.485 50.803 -5.406 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -28.653 49.559 -5.633 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -34.146 52.595 -4.913 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -33.771 51.851 -5.384 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -34.142 52.325 -3.995 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -34.477 52.521 -2.164 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -35.412 52.621 -1.985 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -34.197 51.812 -1.586 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -37.396 38.657 -5.466 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -37.650 38.676 -4.543 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -37.653 37.785 -5.767 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -36.097 42.045 -1.301 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -36.506 42.860 -1.593 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -35.377 41.905 -1.916 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -35.093 41.491 1.513 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -35.288 42.096 0.798 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -34.911 40.657 1.078 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -40.514 39.102 -6.365 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -40.945 38.657 -5.635 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -41.232 39.474 -6.877 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -38.561 46.445 -3.046 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -39.305 45.938 -3.369 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -38.695 46.494 -2.100 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -34.663 39.259 -4.847 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -35.601 39.371 -4.998 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -34.366 40.116 -4.541 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -33.945 41.126 -3.186 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -33.053 40.989 -2.867 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -33.888 41.917 -3.723 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -30.764 50.122 -3.027 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -31.137 49.296 -2.717 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -30.487 49.939 -3.924 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -28.868 52.578 -5.005 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -28.125 53.164 -5.145 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -29.563 53.146 -4.672 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -32.506 46.771 -2.980 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -32.783 46.043 -2.424 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -31.579 46.890 -2.774 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -40.344 48.780 -4.303 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -40.197 48.260 -3.513 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -40.347 49.687 -3.997 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -35.275 38.347 -2.417 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -35.055 38.819 -3.220 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -34.717 38.742 -1.746 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -37.606 50.478 -3.554 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -38.423 50.975 -3.501 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -37.077 50.953 -4.194 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -40.268 51.521 -3.572 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -40.107 52.321 -4.073 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -40.465 51.828 -2.687 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -32.733 42.719 2.534 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -33.530 42.304 2.205 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -32.288 42.028 3.025 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -43.275 48.647 -4.896 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -42.683 49.346 -4.620 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -42.816 48.214 -5.615 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -37.243 51.073 -6.621 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -37.887 50.442 -6.299 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -36.481 50.542 -6.853 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -32.639 50.890 -6.387 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -32.356 50.096 -5.934 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -31.899 51.123 -6.948 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -41.684 46.800 -6.530 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -41.620 46.006 -5.999 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -41.031 46.681 -7.219 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -40.535 44.772 -4.224 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -40.994 44.288 -3.538 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -40.280 44.104 -4.860 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -39.464 43.015 -5.961 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -39.644 42.861 -6.889 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -38.513 43.123 -5.917 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -39.566 53.706 -4.960 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -38.633 53.864 -4.816 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -39.830 54.381 -5.585 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -31.434 42.813 -0.154 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -31.584 41.868 -0.174 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -31.788 43.094 0.690 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -31.112 40.977 3.744 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.179 41.189 3.710 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -31.347 41.079 4.667 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -31.707 35.449 2.477 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -31.103 35.997 1.976 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -32.576 35.769 2.237 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -29.980 36.588 0.811 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -29.368 36.074 0.284 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -29.597 37.466 0.834 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -33.033 35.959 -2.658 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -33.736 36.573 -2.868 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -33.478 35.121 -2.527 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -36.921 52.932 -4.715 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -36.055 53.298 -4.893 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -37.168 52.492 -5.528 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -31.335 57.824 -29.274 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -32.251 58.087 -29.362 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -30.999 57.821 -30.171 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -34.074 56.785 -25.929 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -34.171 55.833 -25.935 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -34.396 57.054 -25.068 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -29.280 56.659 -27.489 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -30.197 56.930 -27.525 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -29.157 56.124 -28.273 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -30.279 54.749 -29.670 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -31.092 55.074 -30.058 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -30.046 53.989 -30.203 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -34.170 54.029 -26.290 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -34.094 53.603 -25.436 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -33.277 54.043 -26.632 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -29.459 57.277 -14.025 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -29.410 57.887 -13.289 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -29.033 57.738 -14.748 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -34.981 60.070 -14.558 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -34.838 59.123 -14.538 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -35.087 60.277 -15.487 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.067 58.755 -11.789 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -29.756 59.413 -11.884 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -29.052 58.558 -10.852 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -31.993 56.308 -13.225 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -32.729 56.919 -13.263 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -31.309 56.723 -13.751 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -38.990 54.395 -15.759 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -39.107 53.446 -15.813 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -39.845 54.727 -15.486 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -37.058 55.020 -11.607 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -36.638 54.605 -10.854 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -37.991 54.842 -11.490 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -33.732 58.776 -10.753 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -34.246 58.650 -9.956 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -33.887 59.688 -10.998 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -36.097 60.901 -20.157 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -36.506 61.716 -20.449 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -35.377 60.761 -20.772 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -35.093 60.347 -17.343 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -35.288 60.952 -18.058 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -34.911 59.513 -17.778 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -39.051 57.912 -17.888 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -39.962 57.969 -17.599 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -38.546 57.852 -17.077 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -34.646 57.147 -14.624 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -35.323 57.278 -13.960 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -35.132 56.992 -15.434 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -37.731 60.700 -16.001 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -37.167 60.153 -16.548 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -37.879 60.178 -15.212 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -34.663 58.115 -23.703 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -35.601 58.227 -23.854 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -34.366 58.972 -23.397 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -33.945 59.982 -22.042 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -33.053 59.845 -21.723 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -33.888 60.773 -22.579 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -29.060 60.192 -22.348 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -29.614 59.796 -23.020 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -28.959 61.102 -22.625 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -36.059 57.551 -12.370 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -35.361 57.625 -11.720 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -36.440 56.687 -12.215 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -35.275 57.203 -21.273 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -35.055 57.675 -22.076 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -34.717 57.598 -20.602 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -38.075 58.931 -20.438 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -37.263 59.435 -20.392 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -38.320 58.786 -19.524 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -37.191 56.012 -19.500 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -37.538 56.630 -18.855 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -36.533 56.513 -19.981 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -31.335 57.824 -10.418 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -32.251 58.087 -10.506 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -30.999 57.821 -11.315 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -32.733 61.575 -16.322 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -33.530 61.160 -16.651 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -32.288 60.884 -15.831 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -39.688 54.702 -11.717 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -39.786 55.649 -11.823 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -40.431 54.330 -12.193 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -39.466 53.996 -9.046 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -38.754 53.356 -9.060 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -39.567 54.263 -9.960 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -31.434 61.669 -19.010 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.584 60.724 -19.030 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -31.788 61.950 -18.166 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -31.356 57.697 -25.514 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -30.746 57.325 -24.877 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -32.193 57.275 -25.318 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -31.724 59.252 -20.548 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -31.444 58.345 -20.423 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -30.965 59.686 -20.937 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -31.112 59.833 -15.112 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -30.179 60.045 -15.146 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -31.347 59.935 -14.189 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -28.800 54.550 -6.982 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -28.450 53.896 -7.588 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -28.653 55.387 -7.422 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -29.244 56.582 -23.971 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -28.831 55.861 -24.447 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -28.562 57.252 -23.913 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -30.279 54.749 -10.814 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -31.092 55.074 -11.202 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -30.046 53.989 -11.347 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -36.849 56.198 -16.491 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -37.524 55.569 -16.236 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -36.285 55.714 -17.094 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -39.943 54.759 -18.856 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -39.069 55.147 -18.886 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -40.079 54.544 -17.933 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -38.799 56.839 -21.966 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -38.621 56.193 -21.283 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -38.853 57.673 -21.499 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -34.170 54.029 -7.434 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -34.094 53.603 -6.580 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -33.277 54.043 -7.776 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -13.437 -7.402 23.070 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -14.379 -7.344 23.231 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -13.161 -6.496 22.933 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -12.340 -9.154 26.681 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -12.200 -9.745 25.942 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -12.172 -8.281 26.325 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -10.498 -12.814 24.747 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -11.150 -12.119 24.836 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -10.033 -12.604 23.937 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -12.503 -2.605 29.365 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -12.303 -2.181 28.530 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -11.847 -2.262 29.972 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -12.555 -10.990 24.596 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -11.913 -10.533 24.053 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -13.385 -10.877 24.134 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -15.935 -7.477 26.997 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -16.836 -7.294 26.729 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -15.901 -7.218 27.918 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -14.060 -4.847 27.045 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -14.662 -5.402 26.550 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -13.779 -4.180 26.419 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -12.790 -4.593 23.012 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -12.946 -3.915 22.355 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -11.858 -4.521 23.215 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -15.902 -6.623 29.589 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -16.253 -7.479 29.832 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -15.176 -6.480 30.196 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -14.779 -10.226 27.010 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -14.034 -9.638 26.890 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -15.536 -9.644 27.073 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -10.074 -3.943 23.241 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -10.096 -3.758 24.180 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -9.384 -3.374 22.900 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -12.060 -8.586 30.801 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -12.926 -8.691 31.195 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -11.684 -7.827 31.248 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -10.606 -9.491 23.087 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -9.772 -9.869 22.806 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -10.494 -8.548 22.968 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -12.119 -6.613 25.394 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -12.767 -6.288 26.019 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -12.637 -7.053 24.719 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -11.722 -11.785 28.341 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -11.139 -12.519 28.532 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -11.158 -11.013 28.387 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -10.225 -13.882 29.025 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -11.088 -14.261 28.860 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -9.621 -14.621 28.951 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -13.485 -2.757 25.108 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -13.667 -1.841 24.897 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -13.309 -3.167 24.261 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -10.702 -6.704 32.136 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -10.629 -5.765 32.306 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -9.797 -7.009 32.079 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -11.908 -6.446 34.685 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -12.281 -7.272 34.995 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -11.631 -6.629 33.788 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -14.516 -8.470 32.506 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -14.163 -8.850 33.310 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -15.465 -8.563 32.592 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -10.012 -3.990 32.707 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -9.269 -3.404 32.567 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -10.707 -3.422 33.040 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -13.783 -5.678 31.325 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -13.500 -6.472 31.778 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -13.043 -5.445 30.764 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -11.218 -11.198 31.196 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -11.491 -11.623 30.383 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -11.178 -10.267 30.979 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -13.949 9.614 -16.990 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -14.390 8.894 -16.540 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -13.962 10.335 -16.360 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -16.838 14.719 -16.778 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -16.218 14.042 -17.051 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -17.046 14.501 -15.870 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -15.185 13.235 -18.017 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -14.760 12.528 -18.502 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -14.868 14.036 -18.434 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -14.026 11.136 -19.508 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -14.283 10.446 -20.120 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -13.955 10.693 -18.663 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -12.340 9.702 -11.031 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -12.200 9.111 -11.770 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -12.172 10.575 -11.387 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -10.498 6.042 -12.965 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -11.150 6.737 -12.876 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -10.033 6.252 -13.775 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -16.140 11.776 -14.057 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -16.381 12.438 -13.409 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -16.338 10.942 -13.632 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -17.864 12.773 -19.187 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -17.390 13.068 -18.409 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -18.427 13.511 -19.420 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -18.806 11.957 -10.578 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -18.719 12.783 -10.103 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -19.670 11.627 -10.329 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -15.621 14.809 -21.020 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -16.556 14.909 -20.841 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -15.341 14.100 -20.442 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -12.555 7.866 -13.116 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -11.913 8.323 -13.659 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -13.385 7.979 -13.578 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -18.185 8.917 -10.665 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -18.531 8.536 -9.859 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -18.385 9.851 -10.594 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -15.935 11.379 -10.715 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -16.836 11.562 -10.983 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -15.901 11.638 -9.794 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -10.240 9.424 -9.511 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -11.092 9.662 -9.878 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -9.650 9.407 -10.264 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -11.908 12.410 -21.883 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -12.281 11.584 -21.573 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -11.631 12.227 -22.780 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -20.263 13.358 -12.837 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -19.900 14.213 -13.070 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -19.731 13.066 -12.096 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -16.719 9.457 -13.136 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -17.145 9.230 -12.310 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -16.138 8.719 -13.319 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -22.479 13.853 -6.852 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -21.711 13.394 -6.511 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -22.500 13.627 -7.782 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -14.779 8.630 -10.702 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -14.034 9.218 -10.822 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -15.536 9.212 -10.639 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -17.370 7.424 -7.446 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -16.417 7.508 -7.474 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -17.530 6.713 -6.827 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -14.324 6.721 -8.803 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -14.605 7.430 -9.381 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -13.381 6.648 -8.954 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -10.606 9.365 -14.625 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -9.772 8.987 -14.906 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -10.494 10.308 -14.744 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -11.722 7.071 -9.371 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -11.139 6.337 -9.180 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -11.158 7.843 -9.325 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -13.336 15.003 -18.899 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -12.683 14.656 -19.507 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -12.825 15.492 -18.253 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -18.686 14.306 -9.138 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -18.501 13.972 -8.260 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -17.839 14.615 -9.460 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -23.128 15.763 -13.020 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -23.993 15.835 -12.616 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -23.183 16.310 -13.804 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -18.417 15.651 -13.844 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -18.874 16.180 -14.498 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -18.254 16.254 -13.119 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -16.090 14.529 -12.899 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -16.994 14.694 -13.165 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -15.661 15.382 -12.965 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -11.356 14.783 -20.891 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -11.550 14.035 -21.456 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -11.395 15.541 -21.475 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -13.949 9.614 1.866 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -14.390 8.894 2.316 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -13.962 10.335 2.496 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -19.266 9.108 3.970 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -18.962 8.422 3.376 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -18.544 9.226 4.588 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -16.791 10.021 -0.812 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -17.087 9.699 -1.663 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -17.115 10.921 -0.770 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -14.026 11.136 -0.652 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -14.283 10.446 -1.264 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -13.955 10.693 0.193 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -12.340 9.702 7.825 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -12.200 9.111 7.086 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -12.172 10.575 7.469 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -21.449 10.932 3.113 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -21.544 10.354 2.356 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -20.720 10.561 3.609 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -16.140 11.776 4.799 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -16.381 12.438 5.447 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -16.338 10.942 5.224 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -21.569 10.672 8.782 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -21.881 11.454 9.238 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -22.219 10.519 8.096 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -17.864 12.773 -0.331 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -17.390 13.068 0.447 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -18.427 13.511 -0.564 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -23.330 12.744 9.546 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -23.322 12.608 8.598 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -24.246 12.626 9.798 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -9.785 12.383 9.402 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -9.834 11.428 9.365 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -10.611 12.651 9.804 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -18.806 11.957 8.278 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -18.719 12.783 8.753 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -19.670 11.627 8.527 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -24.738 14.518 -0.135 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -24.586 14.170 0.744 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -25.589 14.162 -0.390 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -14.113 7.069 -6.136 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -14.071 6.846 -7.066 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -13.264 7.467 -5.946 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -12.503 16.251 10.509 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -12.303 16.675 9.674 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -11.847 16.594 11.116 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -12.555 7.866 5.740 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -11.913 8.323 5.197 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -13.385 7.979 5.278 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -17.579 10.192 -4.021 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -17.874 11.018 -3.639 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -18.282 9.572 -3.825 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -15.935 11.379 8.141 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.836 11.562 7.873 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -15.901 11.638 9.062 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -10.240 9.424 9.345 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -11.092 9.662 8.978 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -9.650 9.407 8.592 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -11.908 12.410 -3.027 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -12.281 11.584 -2.717 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -11.631 12.227 -3.924 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -14.748 7.218 3.995 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -15.676 6.986 3.968 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -14.297 6.441 3.665 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -22.205 11.546 0.128 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -21.678 12.319 -0.073 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -23.085 11.771 -0.174 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -20.263 13.358 6.019 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -19.900 14.213 5.786 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -19.731 13.066 6.760 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -22.094 14.231 -0.751 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -23.044 14.336 -0.699 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -21.743 15.051 -0.406 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -16.719 9.457 5.720 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -17.145 9.230 6.546 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -16.138 8.719 5.537 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -14.516 10.386 -5.206 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -14.163 10.006 -4.402 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -15.465 10.293 -5.120 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -14.060 14.009 8.189 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -14.662 13.454 7.694 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -13.779 14.676 7.563 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -13.650 9.059 -2.980 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -13.927 8.331 -2.424 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -12.723 9.178 -2.774 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -26.287 13.047 6.031 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -26.070 12.115 6.000 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -26.040 13.321 6.915 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -20.425 11.498 -6.759 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -20.186 10.750 -7.307 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -20.694 11.110 -5.927 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -18.750 12.766 -3.554 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -19.567 13.263 -3.501 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -18.221 13.241 -4.194 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -21.412 13.809 -3.572 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -21.251 14.609 -4.073 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -21.609 14.116 -2.687 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -27.076 14.934 10.384 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -26.536 14.717 11.143 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -27.557 14.128 10.194 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -22.479 13.853 12.004 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -21.711 13.394 12.345 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -22.500 13.627 11.074 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -18.387 13.361 -6.621 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -19.031 12.730 -6.299 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -17.625 12.830 -6.853 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -15.902 12.233 10.733 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -16.253 11.377 10.976 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -15.176 12.376 11.340 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -17.476 10.135 -6.794 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -17.744 10.315 -5.893 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -17.682 9.209 -6.925 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -14.779 8.630 8.154 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.034 9.218 8.034 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -15.536 9.212 8.217 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -11.218 7.658 -6.516 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -11.491 7.233 -7.329 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -11.178 8.589 -6.733 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -20.710 15.994 -4.960 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -19.777 16.152 -4.816 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -20.974 16.669 -5.585 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -28.493 16.023 -0.400 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -29.140 15.561 -0.933 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -28.138 15.351 0.183 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -10.759 8.527 -2.541 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -9.909 8.948 -2.413 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -10.754 7.787 -1.933 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -10.606 9.365 4.231 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -9.772 8.987 3.950 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -10.494 10.308 4.112 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -25.951 11.932 10.500 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -26.772 12.107 10.040 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -26.203 11.859 11.421 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -22.997 12.907 6.759 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -23.422 13.716 6.476 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -22.092 12.992 6.457 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -16.341 15.591 8.962 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -15.664 14.959 8.722 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -16.019 15.993 9.770 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -26.180 14.786 3.717 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -26.199 14.361 4.574 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -25.375 14.468 3.308 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -24.039 13.496 2.372 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -24.258 12.580 2.541 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -23.215 13.636 2.838 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -21.502 13.966 3.220 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -21.289 13.078 2.933 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -21.437 13.932 4.175 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -26.929 14.010 -3.112 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -27.614 13.972 -3.780 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -26.926 14.923 -2.824 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -25.111 14.930 -6.087 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -25.379 15.217 -5.214 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -24.340 14.384 -5.935 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -12.138 13.534 10.115 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -12.920 13.348 9.595 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -12.210 14.463 10.332 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -16.588 7.420 19.001 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -16.499 8.364 18.869 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -17.227 7.145 18.343 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -17.655 6.675 22.420 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -17.693 6.029 23.125 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -17.978 6.209 21.649 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -16.838 14.719 20.934 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -16.218 14.042 20.661 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -17.046 14.501 21.842 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -19.266 9.108 22.826 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -18.962 8.422 22.232 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -18.544 9.226 23.444 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -15.248 1.734 18.827 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -14.602 1.405 19.452 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -14.738 2.252 18.204 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -16.791 10.021 18.044 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -17.087 9.699 17.193 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -17.115 10.921 18.086 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -21.591 8.197 24.788 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -22.331 8.795 24.891 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -20.877 8.751 24.472 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -15.185 13.235 19.695 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -14.760 12.528 19.210 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -14.868 14.036 19.278 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -14.026 11.136 18.204 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -14.283 10.446 17.592 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -13.955 10.693 19.049 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -14.461 6.874 17.405 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -15.193 7.102 17.978 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -14.014 6.160 17.860 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -21.449 10.932 21.969 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -21.544 10.354 21.212 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -20.720 10.561 22.465 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -21.569 10.672 27.638 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -21.881 11.454 28.094 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -22.219 10.519 26.952 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -17.864 12.773 18.525 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -17.390 13.068 19.303 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -18.427 13.511 18.292 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -10.702 12.152 13.280 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -10.629 13.091 13.450 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -9.797 11.847 13.223 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -18.806 11.957 27.134 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -18.719 12.783 27.609 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -19.670 11.627 27.383 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -24.738 14.518 18.721 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -24.586 14.170 19.600 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -25.589 14.162 18.466 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -18.202 -1.548 26.105 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -17.782 -1.963 26.858 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -19.135 -1.726 26.222 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -17.241 4.333 17.555 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -17.650 5.148 17.263 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -16.521 4.193 16.940 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -18.139 4.508 29.043 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -18.702 3.804 29.363 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -17.313 4.388 29.510 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -16.237 3.779 20.369 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -16.432 4.384 19.654 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -16.055 2.945 19.934 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -16.973 5.417 25.040 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -16.649 4.786 24.397 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -17.413 4.882 25.701 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -15.790 0.579 23.088 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -16.467 0.710 23.752 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -16.276 0.424 22.278 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -18.875 4.132 21.711 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -18.311 3.585 21.164 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -19.023 3.610 22.500 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -20.249 2.520 24.125 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -21.084 2.974 24.235 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -19.725 2.796 24.877 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -17.579 10.192 14.835 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -17.874 11.018 15.217 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -18.282 9.572 15.031 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -20.555 6.006 29.107 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -20.851 5.840 28.212 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -19.624 5.786 29.097 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -10.204 3.624 15.364 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -10.758 3.228 14.692 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -10.103 4.534 15.087 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -11.908 12.410 15.829 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -12.281 11.584 16.139 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -11.631 12.227 14.932 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -20.263 13.358 24.875 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -19.900 14.213 24.642 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -19.731 13.066 25.616 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -22.094 14.231 18.105 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -23.044 14.336 18.157 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -21.743 15.051 18.450 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -14.516 10.386 13.650 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -14.163 10.006 14.454 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -15.465 10.293 13.736 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -10.012 14.866 13.851 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -9.269 15.452 13.711 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -10.707 15.434 14.184 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -13.650 9.059 15.876 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -13.927 8.331 16.432 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -12.723 9.178 16.082 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -20.425 11.498 12.097 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -20.186 10.750 11.549 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -20.694 11.110 12.929 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -21.488 11.068 14.553 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -21.341 10.548 15.343 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -21.491 11.975 14.859 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -17.203 0.983 25.342 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -16.505 1.057 25.992 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -17.584 0.119 25.497 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -18.750 12.766 15.302 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -19.567 13.263 15.355 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -18.221 13.241 14.662 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -18.683 3.349 26.459 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -18.564 3.923 27.216 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -18.028 2.661 26.574 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -21.412 13.809 15.284 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -21.251 14.609 14.783 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -21.609 14.116 16.169 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -12.790 14.263 23.012 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -12.946 14.941 22.355 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -11.858 14.335 23.215 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -22.479 13.853 30.860 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -21.711 13.394 31.201 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -22.500 13.627 29.930 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -18.387 13.361 12.235 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -19.031 12.730 12.557 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -17.625 12.830 12.003 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -13.783 13.178 12.469 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -13.500 12.384 12.922 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -13.043 13.411 11.908 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -20.514 8.714 29.627 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -20.842 8.985 28.769 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -20.362 7.773 29.539 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -17.476 10.135 12.062 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -17.744 10.315 12.963 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -17.682 9.209 11.931 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -17.370 7.424 30.266 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -16.417 7.508 30.238 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -17.530 6.713 30.885 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -20.056 6.117 25.803 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -19.305 5.961 25.230 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -20.395 6.969 25.527 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -15.640 3.932 30.831 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -15.448 3.001 30.720 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -14.783 4.357 30.821 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -16.852 1.583 28.634 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -17.800 1.615 28.766 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -16.540 0.958 29.288 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -15.218 0.217 30.639 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -15.315 -0.735 30.633 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -15.540 0.486 31.500 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -10.074 14.913 23.241 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -10.096 15.098 24.180 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -9.384 15.482 22.900 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -10.365 6.580 18.139 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -11.091 6.101 18.537 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -9.784 6.786 18.871 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -10.097 6.481 14.530 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -10.618 6.838 13.811 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -10.130 7.156 15.208 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -12.578 5.101 18.702 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -12.728 4.156 18.682 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -12.932 5.382 19.546 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -12.868 2.684 17.164 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -12.588 1.777 17.289 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -12.109 3.118 16.775 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -9.944 -2.018 30.730 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -9.594 -2.672 30.124 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -9.797 -1.181 30.290 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -12.254 -0.053 17.213 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -12.072 -0.502 18.038 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -12.854 -0.638 16.749 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -10.424 0.091 29.079 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -11.341 0.362 29.043 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -10.301 -0.444 28.295 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -10.388 0.014 13.741 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -9.975 -0.707 13.265 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -9.706 0.684 13.799 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -22.997 12.907 25.615 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -23.422 13.716 25.332 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -22.092 12.992 25.313 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -11.423 -1.819 26.898 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -12.236 -1.494 26.510 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -11.190 -2.579 26.365 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -23.128 15.763 24.692 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -23.993 15.835 25.096 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -23.183 16.310 23.908 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -21.502 13.966 22.076 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -21.289 13.078 21.789 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -21.437 13.932 23.031 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -17.993 -0.370 21.221 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -18.668 -0.999 21.476 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -17.429 -0.854 20.618 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -12.851 -2.263 21.333 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -12.247 -1.715 20.832 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -13.720 -1.943 21.093 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -11.124 -1.124 19.667 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -10.512 -1.638 19.140 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -10.741 -0.246 19.690 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -15.530 -1.779 20.505 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -15.454 -1.684 19.556 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -15.806 -2.687 20.634 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -25.111 14.930 12.769 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -25.379 15.217 13.642 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -24.340 14.384 12.921 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -15.314 -2.539 30.278 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -15.238 -2.965 31.132 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -14.421 -2.525 29.936 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -16.791 10.021 36.900 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -17.087 9.699 36.049 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -17.115 10.921 36.942 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -14.026 11.136 37.060 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -14.283 10.446 36.448 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -13.955 10.693 37.905 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -17.813 5.122 32.348 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -17.112 5.144 32.999 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -17.511 4.494 31.692 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -14.461 6.874 36.261 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -15.193 7.102 36.834 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -14.014 6.160 36.716 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -15.590 6.036 33.946 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -15.011 6.186 34.693 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -15.176 6.507 33.223 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -11.892 -2.214 33.759 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -12.791 -2.075 34.054 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -11.640 -1.383 33.357 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -15.290 14.883 32.799 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -14.915 14.139 32.328 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -15.286 14.613 33.717 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -15.621 14.809 35.548 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -16.556 14.909 35.727 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -15.341 14.100 36.126 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -14.113 7.069 31.576 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.071 6.846 30.646 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -13.264 7.467 31.766 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -19.705 8.733 34.666 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -20.449 8.226 34.343 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -19.839 8.782 35.612 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -15.807 1.547 32.865 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -16.745 1.659 32.714 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -15.510 2.404 33.171 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.579 10.192 33.691 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -17.874 11.018 34.073 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -18.282 9.572 33.887 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -10.204 3.624 34.220 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -10.758 3.228 33.548 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -10.103 4.534 33.943 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -11.908 12.410 34.685 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -12.281 11.584 34.995 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -11.631 12.227 33.788 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -13.650 9.059 34.732 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -13.927 8.331 35.288 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -12.723 9.178 34.938 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -20.425 11.498 30.953 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -20.186 10.750 30.405 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -20.694 11.110 31.785 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -18.750 12.766 34.158 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -19.567 13.263 34.211 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -18.221 13.241 33.518 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -18.387 13.361 31.091 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -19.031 12.730 31.413 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -17.625 12.830 30.859 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -20.710 15.994 32.752 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -19.777 16.152 32.896 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -20.974 16.669 32.127 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -10.759 8.527 35.171 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -9.909 8.948 35.299 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -10.754 7.787 35.779 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -10.365 6.580 36.995 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -11.091 6.101 37.393 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -9.784 6.786 37.727 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -11.748 3.721 31.937 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -11.651 4.388 31.257 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -11.888 2.905 31.455 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -12.578 5.101 37.558 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -12.728 4.156 37.538 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -12.932 5.382 38.402 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -12.500 1.129 31.054 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -11.890 0.757 31.691 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -13.337 0.707 31.250 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -10.388 0.014 32.597 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -9.975 -0.707 32.121 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -9.706 0.684 32.655 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -13.336 15.003 37.669 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -12.683 14.656 37.061 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -12.825 15.492 38.315 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -18.065 15.220 32.997 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -17.199 15.586 32.819 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -18.312 14.780 32.184 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -11.356 14.783 35.677 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -11.550 14.035 35.112 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -11.395 15.541 35.093 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -28.493 34.879 -38.112 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -29.140 34.417 -38.645 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -28.138 34.207 -37.529 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -25.595 35.019 -30.906 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -26.315 35.459 -31.357 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -25.961 34.768 -30.057 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -23.128 34.619 -31.876 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -23.993 34.691 -31.472 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -23.183 35.166 -32.660 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -18.417 34.507 -32.700 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -18.874 35.036 -33.354 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -18.254 35.110 -31.975 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -26.180 33.642 -33.995 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -26.199 33.217 -33.138 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -25.375 33.324 -34.404 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -25.287 25.146 -13.699 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -25.245 24.520 -12.975 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -24.584 25.769 -13.517 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -13.949 28.470 -16.990 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -14.390 27.750 -16.540 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -13.962 29.191 -16.360 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -24.363 29.596 -15.164 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -24.733 28.794 -15.533 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -23.422 29.427 -15.117 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -16.838 33.575 -16.778 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -16.218 32.898 -17.051 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -17.046 33.357 -15.870 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -22.970 20.459 -17.286 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -22.927 21.319 -17.704 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -23.428 19.907 -17.919 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -15.248 20.590 -18.885 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -14.602 20.261 -18.260 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -14.738 21.108 -19.508 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -24.160 19.377 -13.212 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -24.379 19.907 -13.978 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -24.828 19.604 -12.564 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -16.791 28.877 -19.668 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -17.087 28.555 -20.519 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -17.115 29.777 -19.626 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -21.591 27.053 -12.924 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -22.331 27.651 -12.821 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -20.877 27.607 -13.240 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -13.484 19.881 -16.904 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -13.699 19.115 -16.372 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -12.828 20.353 -16.391 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -24.566 21.269 -15.259 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -23.953 21.902 -14.886 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -24.054 20.797 -15.916 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -20.134 16.683 -15.759 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -20.251 15.734 -15.813 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -20.989 17.015 -15.486 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -15.185 32.091 -18.017 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -14.760 31.384 -18.502 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -14.868 32.892 -18.434 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -14.026 29.992 -19.508 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -14.283 29.302 -20.120 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -13.955 29.549 -18.663 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -17.867 25.520 -21.259 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -18.579 26.055 -21.610 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -17.176 25.576 -21.919 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -14.461 25.730 -20.307 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -15.193 25.958 -19.734 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -14.014 25.016 -19.852 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -22.816 26.360 -18.424 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -23.146 25.990 -19.243 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -22.228 25.690 -18.078 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -21.449 29.788 -15.743 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -21.544 29.210 -16.500 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -20.720 29.417 -15.247 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -22.449 25.129 -14.791 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -21.884 25.250 -15.554 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -22.130 25.766 -14.152 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -15.590 24.892 -22.622 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -15.011 25.042 -21.875 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -15.176 25.363 -23.345 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -17.864 31.629 -19.187 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -17.390 31.924 -18.409 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -18.427 32.367 -19.420 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -11.892 16.642 -22.809 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -12.791 16.781 -22.514 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -11.640 17.473 -23.211 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -27.733 27.793 -12.020 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -28.234 27.765 -12.835 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -27.727 26.887 -11.710 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -27.982 30.573 -15.136 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -27.036 30.429 -15.155 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -28.095 31.357 -14.599 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -24.738 33.374 -18.991 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -24.586 33.026 -18.112 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -25.589 33.018 -19.246 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -15.621 33.665 -21.020 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -16.556 33.765 -20.841 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -15.341 32.956 -20.442 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -22.774 22.552 -13.886 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -23.416 22.511 -13.177 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -22.737 23.478 -14.124 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -22.777 22.773 -18.974 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -23.670 22.432 -19.033 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -22.326 22.396 -19.730 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -17.241 23.189 -20.157 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -17.650 24.004 -20.449 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -16.521 23.049 -20.772 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -25.024 22.872 -12.019 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -25.062 23.272 -11.151 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -25.515 22.055 -11.929 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -20.195 20.200 -17.888 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -21.106 20.257 -17.599 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -19.690 20.140 -17.077 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -15.790 19.435 -14.624 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -16.467 19.566 -13.960 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -16.276 19.280 -15.434 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -20.249 21.376 -13.587 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -21.084 21.830 -13.477 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -19.725 21.652 -12.835 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -19.705 27.589 -21.902 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -20.449 27.082 -22.225 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -19.839 27.638 -20.956 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -15.089 22.270 -22.042 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -14.197 22.133 -21.723 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -15.032 23.061 -22.579 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -24.580 26.884 -16.133 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -23.835 26.882 -16.734 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -24.502 26.060 -15.651 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -27.572 25.345 -10.818 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -27.349 24.927 -9.986 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -28.174 24.732 -11.240 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -11.908 31.266 -21.883 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -12.281 30.440 -21.573 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -11.631 31.083 -22.780 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -22.205 30.402 -18.728 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -21.678 31.175 -18.929 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -23.085 30.627 -19.030 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -20.778 28.065 -19.152 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -21.019 28.990 -19.110 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -21.518 27.606 -18.756 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -25.938 20.098 -11.260 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -26.831 20.437 -11.327 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -26.037 19.243 -10.842 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -16.419 19.491 -21.273 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -16.199 19.963 -22.076 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -15.861 19.886 -20.602 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -19.219 21.219 -20.438 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -18.407 21.723 -20.392 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -19.464 21.074 -19.524 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -18.335 18.300 -19.500 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -18.682 18.918 -18.855 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -17.677 18.801 -19.981 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -21.638 19.534 -12.149 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -21.102 19.985 -12.801 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -22.490 19.426 -12.571 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -20.832 16.990 -11.717 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -20.930 17.937 -11.823 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -21.575 16.618 -12.193 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -20.610 16.284 -9.046 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -19.898 15.644 -9.060 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -20.711 16.551 -9.960 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -20.257 17.967 -6.992 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -20.388 17.491 -7.813 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -20.856 18.711 -7.048 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -27.623 32.960 -17.451 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -27.957 32.079 -17.279 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -27.401 33.305 -16.587 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -10.365 25.436 -19.573 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -11.091 24.957 -19.175 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -9.784 25.642 -18.841 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -12.578 23.957 -19.010 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -12.728 23.012 -19.030 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -12.932 24.238 -18.166 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -27.543 26.035 -15.000 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -27.359 25.953 -15.935 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -26.694 25.911 -14.576 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -12.868 21.540 -20.548 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -12.588 20.633 -20.423 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -12.109 21.974 -20.937 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -12.256 22.121 -15.112 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -11.323 22.333 -15.146 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -12.491 22.223 -14.189 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -27.945 21.306 -8.859 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -27.026 21.184 -8.623 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -28.395 20.556 -8.470 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -12.254 18.803 -20.499 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -12.072 18.354 -19.674 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -12.854 18.218 -20.963 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -13.336 33.859 -18.899 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -12.683 33.512 -19.507 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -12.825 34.348 -18.253 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -26.180 33.642 -15.139 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -26.199 33.217 -14.282 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -25.375 33.324 -15.548 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -24.039 32.352 -16.484 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -24.258 31.436 -16.315 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -23.215 32.492 -16.018 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -21.502 32.822 -15.636 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -21.289 31.934 -15.923 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -21.437 32.788 -14.681 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -17.993 18.486 -16.491 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -18.668 17.857 -16.236 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -17.429 18.002 -17.094 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -11.124 17.732 -18.045 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -10.512 17.218 -18.572 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -10.741 18.610 -18.022 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -15.530 17.077 -17.207 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -15.454 17.172 -18.156 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -15.806 16.169 -17.078 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -14.177 17.103 -21.514 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -14.880 17.717 -21.724 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -14.622 16.265 -21.383 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -11.356 33.639 -20.891 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -11.550 32.891 -21.456 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -11.395 34.397 -21.475 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -25.709 17.634 -9.152 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -26.075 16.869 -8.709 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -24.796 17.663 -8.865 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -23.736 16.985 -7.616 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -22.837 16.711 -7.801 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -24.122 16.242 -7.152 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -10.211 21.043 7.067 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -10.900 21.701 6.972 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -10.196 20.846 8.004 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -12.340 28.558 7.825 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -12.200 27.967 7.086 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -12.172 29.431 7.469 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -27.982 30.573 3.720 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -27.036 30.429 3.701 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -28.095 31.357 4.257 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -9.785 31.239 9.402 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -9.834 30.284 9.365 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -10.611 31.507 9.804 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -12.633 22.732 9.882 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -13.040 23.213 9.162 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -12.592 21.827 9.575 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -28.416 19.988 0.687 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -27.785 19.959 1.407 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -27.966 19.563 -0.043 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -12.503 35.107 10.509 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -12.303 35.531 9.674 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -11.847 35.450 11.116 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -10.240 28.280 9.345 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -11.092 28.518 8.978 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -9.650 28.263 8.592 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -26.287 31.903 6.031 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -26.070 30.971 6.000 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -26.040 32.177 6.915 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -25.295 17.237 2.893 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -25.524 17.296 1.966 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -25.738 16.445 3.200 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -27.076 33.790 10.384 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -26.536 33.573 11.143 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -27.557 32.984 10.194 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -22.479 32.709 12.004 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -21.711 32.250 12.345 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -22.500 32.483 11.074 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -15.902 31.089 10.733 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -16.253 30.233 10.976 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -15.176 31.232 11.340 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -27.169 27.600 11.338 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -27.025 26.698 11.052 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -27.942 27.886 10.850 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -14.324 25.577 10.053 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -14.605 26.286 9.475 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -13.381 25.504 9.902 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -10.511 33.336 7.307 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -10.998 32.601 6.936 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -9.962 32.943 7.985 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -12.060 29.126 11.945 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -12.926 29.021 12.339 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -11.684 29.885 12.392 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -11.722 25.927 9.485 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -11.139 25.193 9.676 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -11.158 26.699 9.531 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -10.225 23.830 10.169 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -11.088 23.451 10.004 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -9.621 23.091 10.095 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -27.945 21.306 9.997 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -27.026 21.184 10.233 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -28.395 20.556 10.386 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -9.944 16.838 11.874 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -9.594 16.184 11.268 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -9.797 17.675 11.434 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -26.724 19.618 2.888 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -26.279 18.826 3.190 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -26.258 20.334 3.319 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -10.424 18.947 10.223 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -11.341 19.218 10.187 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -10.301 18.412 9.439 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -28.143 17.613 6.356 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -28.808 17.367 6.999 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -28.586 18.235 5.779 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -25.951 30.788 10.500 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -26.772 30.963 10.040 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -26.203 30.715 11.421 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -18.686 33.162 9.718 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -18.501 32.828 10.596 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -17.839 33.471 9.396 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -16.341 34.447 8.962 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -15.664 33.815 8.722 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -16.019 34.849 9.770 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -11.423 17.037 8.042 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -12.236 17.362 7.654 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -11.190 16.277 7.509 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -25.595 35.019 6.806 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -26.315 35.459 6.355 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -25.961 34.768 7.655 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -23.128 34.619 5.836 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -23.993 34.691 6.240 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -23.183 35.166 5.052 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -25.667 17.120 0.187 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -26.444 16.886 -0.321 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -25.136 16.323 0.195 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -26.830 16.918 -4.010 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -26.391 17.529 -4.601 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -27.464 17.456 -3.536 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -15.314 16.317 11.422 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -15.238 15.891 12.276 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -14.421 16.331 11.080 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -12.138 32.390 10.115 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -12.920 32.204 9.595 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -12.210 33.319 10.332 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -13.949 28.470 20.722 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -14.390 27.750 21.172 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -13.962 29.191 21.352 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -19.266 27.964 22.826 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -18.962 27.278 22.232 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -18.544 28.082 23.444 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -22.970 20.459 20.426 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -22.927 21.319 20.008 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -23.428 19.907 19.793 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -21.194 24.406 20.404 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -20.578 23.880 20.913 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -21.780 23.766 20.000 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -21.591 27.053 24.788 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -22.331 27.651 24.891 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -20.877 27.607 24.472 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -24.566 21.269 22.453 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -23.953 21.902 22.826 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -24.054 20.797 21.796 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -27.062 28.688 16.357 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -27.334 28.917 15.468 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -27.017 29.526 16.817 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -13.437 30.310 23.070 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -14.379 30.368 23.231 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -13.161 31.216 22.933 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -20.134 16.683 21.953 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -20.251 15.734 21.899 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -20.989 17.015 22.226 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -15.185 32.091 19.695 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -14.760 31.384 19.210 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -14.868 32.892 19.278 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -14.026 29.992 18.204 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -14.283 29.302 17.592 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -13.955 29.549 19.049 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -12.340 28.558 26.681 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -12.200 27.967 25.942 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -12.172 29.431 26.325 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -10.498 24.898 24.747 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -11.150 25.593 24.836 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -10.033 25.108 23.937 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -14.564 23.904 26.473 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -14.484 24.667 27.045 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -15.165 24.183 25.782 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -22.816 26.360 19.288 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -23.146 25.990 18.469 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -22.228 25.690 19.634 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -22.449 25.129 22.921 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -21.884 25.250 22.158 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -22.130 25.766 23.560 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -16.140 30.632 23.655 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -16.381 31.294 24.303 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -16.338 29.798 24.080 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -17.864 31.629 18.525 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -17.390 31.924 19.303 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -18.427 32.367 18.292 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -23.826 25.430 16.877 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -24.118 26.198 16.386 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -24.500 24.770 16.714 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -12.633 22.732 28.738 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -13.040 23.213 28.018 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -12.592 21.827 28.431 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -22.865 17.586 22.731 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -23.726 17.499 22.323 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -22.887 18.442 23.158 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -14.113 25.925 12.720 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -14.071 25.702 11.790 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -13.264 26.323 12.910 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -22.774 22.552 23.826 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -23.416 22.511 24.535 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -22.737 23.478 23.588 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -22.777 22.773 18.738 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -23.670 22.432 18.679 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -22.326 22.396 17.982 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -18.139 23.364 29.043 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -18.702 22.660 29.363 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -17.313 23.244 29.510 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -27.141 20.734 14.967 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -26.667 21.325 14.382 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -27.859 21.265 15.314 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -20.195 20.200 19.824 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -21.106 20.257 20.113 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -19.690 20.140 20.635 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -25.367 21.829 18.651 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -26.256 21.929 18.311 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -25.071 20.987 18.305 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -23.873 19.124 18.129 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -24.190 18.222 18.094 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -23.092 19.126 17.577 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -19.705 27.589 15.810 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -20.449 27.082 15.487 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -19.839 27.638 16.756 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -12.555 26.722 24.596 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -11.913 27.179 24.053 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -13.385 26.835 24.134 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -18.185 27.773 27.047 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -18.531 27.392 27.853 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -18.385 28.707 27.118 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -17.579 29.048 14.835 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -17.874 29.874 15.217 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -18.282 28.428 15.031 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -20.555 24.862 29.107 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -20.851 24.696 28.212 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -19.624 24.642 29.097 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -11.908 31.266 15.829 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -12.281 30.440 16.139 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -11.631 31.083 14.932 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -26.450 25.264 13.571 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -25.834 25.891 13.950 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -27.312 25.580 13.842 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -20.778 28.065 18.560 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -21.019 28.990 18.602 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -21.518 27.606 18.956 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -16.719 28.313 24.576 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -17.145 28.086 25.402 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -16.138 27.575 24.393 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -14.516 29.242 13.650 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -14.163 28.862 14.454 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -15.465 29.149 13.736 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -20.425 30.354 12.097 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -20.186 29.606 11.549 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -20.694 29.966 12.929 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -21.488 29.924 14.553 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -21.341 29.404 15.343 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -21.491 30.831 14.859 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -25.035 27.177 15.063 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -25.721 27.529 15.630 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -24.512 27.940 14.817 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -18.750 31.622 15.302 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -19.567 32.119 15.355 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -18.221 32.097 14.662 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -18.683 22.205 26.459 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -18.564 22.779 27.216 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -18.028 21.517 26.574 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -18.335 18.300 18.212 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -18.682 18.918 18.857 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -17.677 18.801 17.731 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -24.419 29.791 13.960 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -23.827 30.490 14.236 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -23.960 29.358 13.241 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -26.103 22.455 13.076 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -26.148 23.394 13.255 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -26.991 22.219 12.806 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -18.387 32.217 12.235 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -19.031 31.586 12.557 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -17.625 31.686 12.003 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -13.783 32.034 12.469 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -13.500 31.240 12.922 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -13.043 32.267 11.908 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -17.476 28.991 12.062 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -17.744 29.171 12.963 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -17.682 28.065 11.931 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -14.779 27.486 27.010 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -14.034 28.074 26.890 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -15.536 28.068 27.073 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -22.390 23.809 26.988 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -23.008 24.484 27.269 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -22.046 24.130 26.155 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -11.218 26.514 12.340 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -11.491 26.089 11.527 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -11.178 27.445 12.123 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -22.050 21.164 28.071 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -21.900 20.435 27.468 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -22.048 21.941 27.512 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -21.638 19.534 25.563 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -21.102 19.985 24.911 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -22.490 19.426 25.141 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -20.056 24.973 25.803 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -19.305 24.817 25.230 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -20.395 25.825 25.527 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -15.640 22.788 30.831 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -15.448 21.857 30.720 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -14.783 23.213 30.821 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -14.324 25.577 28.909 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -14.605 26.286 28.331 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -13.381 25.504 28.758 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -20.832 16.990 25.995 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -20.930 17.937 25.889 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -21.575 16.618 25.519 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -19.568 21.312 29.558 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -19.804 21.092 30.460 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -20.351 21.105 29.049 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -20.610 16.284 28.666 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -19.898 15.644 28.652 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -20.711 16.551 27.752 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -20.257 17.967 30.720 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -20.388 17.491 29.899 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -20.856 18.711 30.664 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -27.142 29.486 13.379 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -26.228 29.565 13.652 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -27.135 28.799 12.712 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -10.759 27.383 16.315 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -9.909 27.804 16.443 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -10.754 26.643 16.923 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -10.606 28.221 23.087 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -9.772 27.843 22.806 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -10.494 29.164 22.968 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -10.097 25.337 14.530 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -10.618 25.694 13.811 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -10.130 26.012 15.208 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -11.722 25.927 28.341 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -11.139 25.193 28.532 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -11.158 26.699 28.387 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -10.225 23.830 29.025 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -11.088 23.451 28.860 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -9.621 23.091 28.951 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -28.107 18.875 16.868 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -29.032 19.084 16.738 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -27.653 19.359 16.178 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -25.667 17.120 19.043 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -26.444 16.886 18.535 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -25.136 16.323 19.051 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -26.830 16.918 14.846 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -26.391 17.529 14.255 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -27.464 17.456 15.320 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -21.087 17.047 18.856 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -20.213 17.435 18.826 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -21.223 16.832 19.779 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -23.736 16.985 30.096 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -22.837 16.711 29.911 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -24.122 16.242 30.560 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -25.111 33.786 12.769 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -25.379 34.073 13.642 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -24.340 33.240 12.921 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -15.248 20.590 37.683 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -14.602 20.261 38.308 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -14.738 21.108 37.060 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -13.484 19.881 39.664 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -13.699 19.115 40.196 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -12.828 20.353 40.177 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -14.113 25.925 31.576 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -14.071 25.702 30.646 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -13.264 26.323 31.766 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -18.540 19.801 32.246 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -18.794 19.820 33.169 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -18.797 18.929 31.945 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -21.658 20.246 31.347 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -22.089 19.801 32.077 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -22.376 20.618 30.835 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -15.807 20.403 32.865 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -16.745 20.515 32.714 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -15.510 21.260 33.171 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -15.089 22.270 34.526 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -14.197 22.133 34.845 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -15.032 23.061 33.989 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -16.419 19.491 35.295 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -16.199 19.963 34.492 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -15.861 19.886 35.966 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -11.218 26.514 31.196 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -11.491 26.089 30.383 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -11.178 27.445 30.979 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -10.365 25.436 36.995 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -11.091 24.957 37.393 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -9.784 25.642 37.727 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -10.097 25.337 33.386 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -10.618 25.694 32.667 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -10.130 26.012 34.064 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -12.578 23.957 37.558 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -12.728 23.012 37.538 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -12.932 24.238 38.402 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -12.868 21.540 36.020 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -12.588 20.633 36.145 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.109 21.974 35.631 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -12.254 18.803 36.069 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -12.072 18.354 36.894 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.854 18.218 35.605 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -11.124 17.732 38.523 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -10.512 17.218 37.996 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -10.741 18.610 38.546 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -14.177 17.103 35.054 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -14.880 17.717 34.844 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -14.622 16.265 35.185 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -17.655 44.387 -34.148 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -17.693 43.741 -33.443 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -17.978 43.921 -34.919 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -24.363 48.452 -34.020 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -24.733 47.650 -34.389 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -23.422 48.283 -33.973 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -27.753 42.112 -38.627 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -28.201 42.958 -38.645 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -28.314 41.532 -39.142 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -19.266 46.820 -33.742 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -18.962 46.134 -34.336 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -18.544 46.938 -33.124 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -16.125 41.214 -33.414 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -15.982 40.267 -33.394 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -16.231 41.421 -34.343 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -21.194 43.262 -36.164 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -20.578 42.736 -35.655 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -21.780 42.622 -36.568 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -20.134 35.539 -34.615 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -20.251 34.590 -34.669 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -20.989 35.871 -34.342 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -22.816 45.216 -37.280 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -23.146 44.846 -38.099 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -22.228 44.546 -36.934 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -21.449 48.644 -34.599 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -21.544 48.066 -35.356 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -20.720 48.273 -34.103 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -16.140 49.488 -32.913 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -16.381 50.150 -32.265 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -16.338 48.654 -32.488 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -23.826 44.286 -39.691 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -24.118 45.054 -40.182 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -24.500 43.626 -39.854 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -27.982 49.429 -33.992 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -27.036 49.285 -34.011 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -28.095 50.213 -33.455 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -22.865 36.442 -33.837 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -23.726 36.355 -34.245 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -22.887 37.298 -33.410 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -18.202 36.164 -30.463 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -17.782 35.749 -29.710 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -19.135 35.986 -30.346 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -22.777 41.629 -37.830 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -23.670 41.288 -37.889 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -22.326 41.252 -38.586 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -18.139 42.220 -27.525 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -18.702 41.516 -27.205 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -17.313 42.100 -27.058 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -16.237 41.491 -36.199 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -16.432 42.096 -36.914 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -16.055 40.657 -36.634 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -28.416 38.844 -37.025 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -27.785 38.815 -36.305 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -27.966 38.419 -37.755 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -27.141 39.590 -41.601 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -26.667 40.181 -42.186 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -27.859 40.121 -41.254 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -16.973 43.129 -31.528 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -16.649 42.498 -32.171 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -17.413 42.594 -30.867 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -20.195 39.056 -36.744 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -21.106 39.113 -36.455 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -19.690 38.996 -35.933 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -25.367 40.685 -37.917 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -26.256 40.785 -38.257 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -25.071 39.843 -38.263 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -21.714 40.685 -40.261 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -20.782 40.814 -40.083 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -21.929 41.355 -40.910 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -15.790 38.291 -33.480 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -16.467 38.422 -32.816 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -16.276 38.136 -34.290 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -18.875 41.844 -34.857 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -18.311 41.297 -35.404 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -19.023 41.322 -34.068 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -23.873 37.980 -38.439 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -24.190 37.078 -38.474 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -23.092 37.982 -38.991 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.185 46.629 -29.521 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -18.531 46.248 -28.715 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -18.385 47.563 -29.450 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -24.580 45.740 -34.989 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -23.835 45.738 -35.590 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -24.502 44.916 -34.507 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -15.935 49.091 -29.571 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -16.836 49.274 -29.839 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -15.901 49.350 -28.650 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -20.263 51.070 -31.693 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -19.900 51.925 -31.926 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -19.731 50.778 -30.952 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -16.719 47.169 -31.992 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -17.145 46.942 -31.166 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -16.138 46.431 -32.175 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -14.060 51.721 -29.523 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -14.662 51.166 -30.018 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -13.779 52.388 -30.149 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -26.287 50.759 -31.681 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -26.070 49.827 -31.712 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -26.040 51.033 -30.797 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -17.203 38.695 -31.226 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -16.505 38.769 -30.576 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -17.584 37.831 -31.071 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -19.219 40.075 -39.294 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -18.407 40.579 -39.248 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -19.464 39.930 -38.380 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -18.683 41.061 -30.109 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -18.564 41.635 -29.352 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -18.028 40.373 -29.994 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -18.335 37.156 -38.356 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -18.682 37.774 -37.711 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -17.677 37.657 -38.837 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -25.295 36.093 -34.819 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -25.524 36.152 -35.746 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -25.738 35.301 -34.512 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.902 49.945 -26.979 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -16.253 49.089 -26.736 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -15.176 50.088 -26.372 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -14.779 46.342 -29.558 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -14.034 46.930 -29.678 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -15.536 46.924 -29.495 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -17.370 45.136 -26.302 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -16.417 45.220 -26.330 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -17.530 44.425 -25.683 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -14.324 44.433 -27.659 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -14.605 45.142 -28.237 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -13.381 44.360 -27.810 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -20.832 35.846 -30.573 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -20.930 36.793 -30.679 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -21.575 35.474 -31.049 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -19.568 40.168 -27.010 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -19.804 39.948 -26.108 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -20.351 39.961 -27.519 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -16.852 39.295 -27.934 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -17.800 39.327 -27.802 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -16.540 38.670 -27.280 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -25.391 39.139 -26.881 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -25.180 38.432 -27.492 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -25.503 38.701 -26.037 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -20.610 35.140 -27.902 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -19.898 34.500 -27.916 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -20.711 35.407 -28.816 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -20.257 36.823 -25.848 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -20.388 36.347 -26.669 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -20.856 37.567 -25.904 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -28.107 37.731 -39.700 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -29.032 37.940 -39.830 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -27.653 38.215 -40.390 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -28.143 36.469 -31.356 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -28.808 36.223 -30.713 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -28.586 37.091 -31.933 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -22.997 50.619 -30.953 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -23.422 51.428 -31.236 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -22.092 50.704 -31.255 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -16.341 53.303 -28.750 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -15.664 52.671 -28.990 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -16.019 53.705 -27.942 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -25.595 53.875 -30.906 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -26.315 54.315 -31.357 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -25.961 53.624 -30.057 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -23.128 53.475 -31.876 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -23.993 53.547 -31.472 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -23.183 54.022 -32.660 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -18.417 53.363 -32.700 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -18.874 53.892 -33.354 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -18.254 53.966 -31.975 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -16.090 52.241 -31.755 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -16.994 52.406 -32.021 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -15.661 53.094 -31.821 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -21.502 51.678 -34.492 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -21.289 50.790 -34.779 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -21.437 51.644 -33.537 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -17.993 37.342 -35.347 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -18.668 36.713 -35.092 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -17.429 36.858 -35.950 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -25.667 35.976 -37.525 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -26.444 35.742 -38.033 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -25.136 35.179 -37.517 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -21.087 35.903 -37.712 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -20.213 36.291 -37.742 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -21.223 35.688 -36.789 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -25.709 36.490 -28.008 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -26.075 35.725 -27.565 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -24.796 36.519 -27.721 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -23.736 35.841 -26.472 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -22.837 35.567 -26.657 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -24.122 35.098 -26.008 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -16.588 45.132 -18.711 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -16.499 46.076 -18.843 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -17.227 44.857 -19.369 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -17.655 44.387 -15.292 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -17.693 43.741 -14.587 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -17.978 43.921 -16.063 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -13.949 47.326 -16.990 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -14.390 46.606 -16.540 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -13.962 48.047 -16.360 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -27.753 42.112 -19.771 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -28.201 42.958 -19.789 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -28.314 41.532 -20.286 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -16.838 52.431 -16.778 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -16.218 51.754 -17.051 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -17.046 52.213 -15.870 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -16.125 41.214 -14.558 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -15.982 40.267 -14.538 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -16.231 41.421 -15.487 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -22.970 39.315 -17.286 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -22.927 40.175 -17.704 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -23.428 38.763 -17.919 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -15.248 39.446 -18.885 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -14.602 39.117 -18.260 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -14.738 39.964 -19.508 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -21.194 43.262 -17.308 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -20.578 42.736 -16.799 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -21.780 42.622 -17.712 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -24.160 38.233 -13.212 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -24.379 38.763 -13.978 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -24.828 38.460 -12.564 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -16.791 47.733 -19.668 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -17.087 47.411 -20.519 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -17.115 48.633 -19.626 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -23.183 47.873 -12.137 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -23.189 48.752 -12.515 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -24.037 47.790 -11.712 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -13.437 49.166 -14.642 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -14.379 49.224 -14.481 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -13.161 50.072 -14.779 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -20.134 35.539 -15.759 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -20.251 34.590 -15.813 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -20.989 35.871 -15.486 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -15.185 50.947 -18.017 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -14.760 50.240 -18.502 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -14.868 51.748 -18.434 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -14.026 48.848 -19.508 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -14.283 48.158 -20.120 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -13.955 48.405 -18.663 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -17.867 44.376 -21.259 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -18.579 44.911 -21.610 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -17.176 44.432 -21.919 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.813 42.834 -24.220 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -17.112 42.856 -23.569 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -17.511 42.206 -24.876 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -10.498 43.754 -12.965 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -11.150 44.449 -12.876 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -10.033 43.964 -13.775 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -14.564 42.760 -11.239 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -14.484 43.523 -10.667 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -15.165 43.039 -11.930 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -16.140 49.488 -14.057 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -16.381 50.150 -13.409 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -16.338 48.654 -13.632 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -21.569 48.384 -10.074 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -21.881 49.166 -9.618 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -22.219 48.231 -10.760 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -15.590 43.748 -22.622 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -15.011 43.898 -21.875 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -15.176 44.219 -23.345 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -17.864 50.485 -19.187 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -17.390 50.780 -18.409 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -18.427 51.223 -19.420 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -23.330 50.456 -9.310 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -23.322 50.320 -10.258 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -24.246 50.338 -9.058 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -23.826 44.286 -20.835 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -24.118 45.054 -21.326 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -24.500 43.626 -20.998 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -18.806 49.669 -10.578 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -18.719 50.495 -10.103 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -19.670 49.339 -10.329 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -18.392 53.441 -20.772 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.467 53.320 -21.718 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.359 54.391 -20.653 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -15.290 52.595 -23.769 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -14.915 51.851 -24.240 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -15.286 52.325 -22.851 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -22.865 36.442 -14.981 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -23.726 36.355 -15.389 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -22.887 37.298 -14.554 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -14.113 44.781 -24.992 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -14.071 44.558 -25.922 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -13.264 45.179 -24.802 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -22.777 41.629 -18.974 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -23.670 41.288 -19.033 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.326 41.252 -19.730 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -18.139 42.220 -8.669 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -18.702 41.516 -8.349 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -17.313 42.100 -8.202 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -16.237 41.491 -17.343 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -16.432 42.096 -18.058 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -16.055 40.657 -17.778 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -21.658 39.102 -25.221 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -22.089 38.657 -24.491 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -22.376 39.474 -25.733 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -28.416 38.844 -18.169 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -27.785 38.815 -17.449 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -27.966 38.419 -18.899 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -27.141 39.590 -22.745 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -26.667 40.181 -23.330 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -27.859 40.121 -22.398 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -16.973 43.129 -12.672 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -16.649 42.498 -13.315 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -17.413 42.594 -12.011 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -20.195 39.056 -17.888 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.106 39.113 -17.599 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -19.690 38.996 -17.077 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -25.367 40.685 -19.061 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -26.256 40.785 -19.401 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -25.071 39.843 -19.407 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -21.714 40.685 -21.405 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -20.782 40.814 -21.227 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -21.929 41.355 -22.054 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -23.040 41.880 -23.838 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -23.582 41.500 -24.529 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -22.206 42.074 -24.267 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -18.875 41.844 -16.001 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -18.311 41.297 -16.548 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -19.023 41.322 -15.212 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -23.873 37.980 -19.583 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -24.190 37.078 -19.618 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -23.092 37.982 -20.135 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -20.249 40.232 -13.587 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -21.084 40.686 -13.477 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -19.725 40.508 -12.835 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -19.705 46.445 -21.902 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -20.449 45.938 -22.225 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -19.839 46.494 -20.956 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -18.185 46.629 -10.665 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -18.531 46.248 -9.859 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -18.385 47.563 -10.594 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -17.579 47.904 -22.877 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -17.874 48.730 -22.495 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -18.282 47.284 -22.681 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -15.935 49.091 -10.715 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -16.836 49.274 -10.983 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -15.901 49.350 -9.794 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -14.748 44.930 -14.861 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -15.676 44.698 -14.888 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -14.297 44.153 -15.191 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -16.719 47.169 -13.136 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -17.145 46.942 -12.310 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -16.138 46.431 -13.319 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -14.516 48.098 -24.062 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -14.163 47.718 -23.258 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -15.465 48.005 -23.976 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -18.750 50.478 -22.410 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -19.567 50.975 -22.357 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -18.221 50.953 -23.050 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -18.683 41.061 -11.253 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -18.564 41.635 -10.496 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -18.028 40.373 -11.138 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -18.335 37.156 -19.500 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -18.682 37.774 -18.855 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -17.677 37.657 -19.981 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -22.678 38.219 -22.812 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -22.761 39.108 -22.466 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -21.788 37.954 -22.581 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -13.877 42.719 -16.322 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -14.674 42.304 -16.651 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -13.432 42.028 -15.831 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -25.295 36.093 -15.963 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -25.524 36.152 -16.890 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -25.738 35.301 -15.656 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -27.076 52.646 -8.472 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -26.536 52.429 -7.713 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -27.557 51.840 -8.662 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -22.479 51.565 -6.852 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -21.711 51.106 -6.511 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -22.500 51.339 -7.782 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -13.783 50.890 -25.243 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -13.500 50.096 -24.790 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -13.043 51.123 -25.804 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -20.514 46.426 -8.085 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -20.842 46.697 -8.943 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -20.362 45.485 -8.173 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -20.608 43.015 -24.817 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -20.788 42.861 -25.745 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -19.657 43.123 -24.773 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -17.370 45.136 -7.446 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -16.417 45.220 -7.474 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -17.530 44.425 -6.827 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -21.638 38.390 -12.149 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -21.102 38.841 -12.801 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -22.490 38.282 -12.571 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -20.056 43.829 -11.909 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -19.305 43.673 -12.482 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -20.395 44.681 -12.185 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -15.640 41.644 -6.881 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -15.448 40.713 -6.992 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -14.783 42.069 -6.891 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -14.324 44.433 -8.803 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -14.605 45.142 -9.381 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -13.381 44.360 -8.954 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -16.852 39.295 -9.078 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.800 39.327 -8.946 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -16.540 38.670 -8.424 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -20.710 53.706 -23.816 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -19.777 53.864 -23.672 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -20.974 54.381 -24.441 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -11.722 44.783 -9.371 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -11.139 44.049 -9.180 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -11.158 45.555 -9.325 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -10.225 42.686 -8.687 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -11.088 42.307 -8.852 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -9.621 41.947 -8.761 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -12.868 40.396 -20.548 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -12.588 39.489 -20.423 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -12.109 40.830 -20.937 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -12.256 40.977 -15.112 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -11.323 41.189 -15.146 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -12.491 41.079 -14.189 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -12.227 41.714 -12.336 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -13.070 41.982 -11.970 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -11.784 42.536 -12.547 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -12.254 37.659 -20.499 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -12.072 37.210 -19.674 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -12.854 37.074 -20.963 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -26.724 38.474 -15.968 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -26.279 37.682 -15.666 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -26.258 39.190 -15.537 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -28.107 37.731 -20.844 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -29.032 37.940 -20.974 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -27.653 38.215 -21.534 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -28.143 36.469 -12.500 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -28.808 36.223 -11.857 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -28.586 37.091 -13.077 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -25.951 49.644 -8.356 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -26.772 49.819 -8.816 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -26.203 49.571 -7.435 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -22.997 50.619 -12.097 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -23.422 51.428 -12.380 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -22.092 50.704 -12.399 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -18.686 52.018 -9.138 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -18.501 51.684 -8.260 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -17.839 52.327 -9.460 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -25.595 53.875 -12.050 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -26.315 54.315 -12.501 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -25.961 53.624 -11.201 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -23.128 53.475 -13.020 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -23.993 53.547 -12.616 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -23.183 54.022 -13.804 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -18.417 53.363 -13.844 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -18.874 53.892 -14.498 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -18.254 53.966 -13.119 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -16.090 52.241 -12.899 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -16.994 52.406 -13.165 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -15.661 53.094 -12.965 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -17.993 37.342 -16.491 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -18.668 36.713 -16.236 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -17.429 36.858 -17.094 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -25.667 35.976 -18.669 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -26.444 35.742 -19.177 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -25.136 35.179 -18.661 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -26.830 35.774 -22.866 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -26.391 36.385 -23.457 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -27.464 36.312 -22.392 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -15.530 35.933 -17.207 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -15.454 36.028 -18.156 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -15.806 35.025 -17.078 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -24.969 37.690 -24.423 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -24.478 37.060 -24.951 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -24.346 37.986 -23.760 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -18.065 52.932 -23.571 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -17.199 53.298 -23.749 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -18.312 52.492 -24.384 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -16.588 45.132 0.145 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -16.499 46.076 0.013 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -17.227 44.857 -0.513 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -17.655 44.387 3.564 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -17.693 43.741 4.269 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -17.978 43.921 2.793 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -25.287 44.002 5.157 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -25.245 43.376 5.881 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -24.584 44.625 5.339 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -24.363 48.452 3.692 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -24.733 47.650 3.323 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -23.422 48.283 3.739 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -27.043 44.274 1.211 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -26.829 43.504 1.738 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -26.305 44.363 0.608 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -19.266 46.820 3.970 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -18.962 46.134 3.376 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -18.544 46.938 4.588 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -10.603 38.421 4.831 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -10.554 39.031 5.567 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -10.177 38.882 4.108 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -16.125 41.214 4.298 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -15.982 40.267 4.318 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -16.231 41.421 3.369 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -26.350 41.712 2.332 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -25.696 41.162 2.764 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -26.326 41.438 1.416 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -10.211 39.899 7.067 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -10.900 40.557 6.972 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -10.196 39.702 8.004 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -24.160 38.233 5.644 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -24.379 38.763 4.878 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -24.828 38.460 6.292 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -16.791 47.733 -0.812 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -17.087 47.411 -1.663 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -17.115 48.633 -0.770 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -24.566 40.125 3.597 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -23.953 40.758 3.970 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -24.054 39.653 2.940 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -13.137 37.452 5.631 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -13.873 38.063 5.593 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -12.453 37.867 5.105 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -20.134 35.539 3.097 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -20.251 34.590 3.043 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -20.989 35.871 3.370 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -17.867 44.376 -2.403 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -18.579 44.911 -2.754 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -17.176 44.432 -3.063 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -17.813 42.834 -5.364 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -17.112 42.856 -4.713 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -17.511 42.206 -6.020 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -14.461 44.586 -1.451 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -15.193 44.814 -0.878 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -14.014 43.872 -0.996 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -21.449 48.644 3.113 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -21.544 48.066 2.356 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -20.720 48.273 3.609 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -22.449 43.985 4.065 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -21.884 44.106 3.302 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -22.130 44.622 4.704 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -15.590 43.748 -3.766 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -15.011 43.898 -3.019 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -15.176 44.219 -4.489 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -18.202 36.164 7.249 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -17.782 35.749 8.002 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -19.135 35.986 7.366 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -14.876 39.920 8.103 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -15.390 39.794 8.900 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -15.031 40.832 7.858 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -14.113 44.781 -6.136 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -14.071 44.558 -7.066 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -13.264 45.179 -5.946 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -22.774 41.408 4.970 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -23.416 41.367 5.679 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -22.737 42.334 4.732 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -17.241 42.045 -1.301 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -17.650 42.860 -1.593 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -16.521 41.905 -1.916 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -16.973 43.129 6.184 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -16.649 42.498 5.541 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -17.413 42.594 6.845 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -20.195 39.056 0.968 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -21.106 39.113 1.257 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -19.690 38.996 1.779 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -18.875 41.844 2.855 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -18.311 41.297 2.308 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -19.023 41.322 3.644 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -20.249 40.232 5.269 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -21.084 40.686 5.379 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -19.725 40.508 6.021 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -19.705 46.445 -3.046 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -20.449 45.938 -3.369 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -19.839 46.494 -2.100 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -24.580 45.740 2.723 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -23.835 45.738 2.122 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -24.502 44.916 3.205 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -17.579 47.904 -4.021 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -17.874 48.730 -3.639 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -18.282 47.284 -3.825 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -10.204 41.336 -3.492 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -10.758 40.940 -4.164 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -10.103 42.246 -3.769 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -14.748 44.930 3.995 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -15.676 44.698 3.968 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -14.297 44.153 3.665 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -22.205 49.258 0.128 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -21.678 50.031 -0.073 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -23.085 49.483 -0.174 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -20.778 46.921 -0.296 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -21.019 47.846 -0.254 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -21.518 46.462 0.100 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -25.938 38.954 7.596 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -26.831 39.293 7.529 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -26.037 38.099 8.014 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -20.425 49.210 -6.759 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -20.186 48.462 -7.307 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -20.694 48.822 -5.927 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -21.488 48.780 -4.303 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -21.341 48.260 -3.513 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -21.491 49.687 -3.997 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -17.203 38.695 6.486 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -16.505 38.769 7.136 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -17.584 37.831 6.641 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -18.750 50.478 -3.554 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -19.567 50.975 -3.501 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -18.221 50.953 -4.194 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -19.219 40.075 -1.582 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -18.407 40.579 -1.536 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -19.464 39.930 -0.668 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -21.412 51.521 -3.572 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -21.251 52.321 -4.073 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -21.609 51.828 -2.687 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -12.479 38.968 8.438 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -13.395 39.231 8.350 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -12.143 38.965 7.541 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -13.877 42.719 2.534 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -14.674 42.304 2.205 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -13.432 42.028 3.025 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -24.419 48.647 -4.896 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -23.827 49.346 -4.620 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -23.960 48.214 -5.615 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -26.365 50.033 -0.946 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -27.197 50.506 -0.919 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -25.819 50.543 -1.545 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -17.476 47.847 -6.794 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -17.744 48.027 -5.893 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -17.682 46.921 -6.925 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -11.218 45.370 -6.516 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -11.491 44.945 -7.329 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -11.178 46.301 -6.733 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -21.638 38.390 6.707 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -21.102 38.841 6.055 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -22.490 38.282 6.285 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -20.832 35.846 7.139 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -20.930 36.793 7.033 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -21.575 35.474 6.663 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -20.610 35.140 9.810 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -19.898 34.500 9.796 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -20.711 35.407 8.896 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -10.365 44.292 -0.717 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -11.091 43.813 -0.319 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -9.784 44.498 0.015 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -10.097 44.193 -4.326 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -10.618 44.550 -5.045 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -10.130 44.868 -3.648 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -12.578 42.813 -0.154 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -12.728 41.868 -0.174 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -12.932 43.094 0.690 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -27.543 44.891 3.856 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -27.359 44.809 2.921 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -26.694 44.767 4.280 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -12.256 40.977 3.744 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -11.323 41.189 3.710 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -12.491 41.079 4.667 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -12.227 41.714 6.520 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -13.070 41.982 6.886 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -11.784 42.536 6.309 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -28.420 41.473 3.957 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -27.928 41.252 3.167 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -28.058 42.314 4.238 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -28.143 36.469 6.356 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -28.808 36.223 6.999 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -28.586 37.091 5.779 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -11.423 35.893 8.042 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -12.236 36.218 7.654 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -11.190 35.133 7.509 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -26.929 51.722 -3.112 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -27.614 51.684 -3.780 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -26.926 52.635 -2.824 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -25.111 52.642 -6.087 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -25.379 52.929 -5.214 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -24.340 52.096 -5.935 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -15.314 35.173 11.422 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -15.238 34.747 12.276 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -14.421 35.187 11.080 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -18.202 55.020 -30.463 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -17.782 54.605 -29.710 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -19.135 54.842 -30.346 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -20.832 54.702 -30.573 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -20.930 55.649 -30.679 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -21.575 54.330 -31.049 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -25.391 57.995 -26.881 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -25.180 57.288 -27.492 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -25.503 57.557 -26.037 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -20.610 53.996 -27.902 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -19.898 53.356 -27.916 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -20.711 54.263 -28.816 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -20.257 55.679 -25.848 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -20.388 55.203 -26.669 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -20.856 56.423 -25.904 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -28.143 55.325 -31.356 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -28.808 55.079 -30.713 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -28.586 55.947 -31.933 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -25.709 55.346 -28.008 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -26.075 54.581 -27.565 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -24.796 55.375 -27.721 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -23.736 54.697 -26.472 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -22.837 54.423 -26.657 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -24.122 53.954 -26.008 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -15.314 54.029 -26.290 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -15.238 53.603 -25.436 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -14.421 54.043 -26.632 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -22.970 58.171 -17.286 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -22.927 59.031 -17.704 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -23.428 57.619 -17.919 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -24.160 57.089 -13.212 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -24.379 57.619 -13.978 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -24.828 57.316 -12.564 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -24.566 58.981 -15.259 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -23.953 59.614 -14.886 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -24.054 58.509 -15.916 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -20.134 54.395 -15.759 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -20.251 53.446 -15.813 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -20.989 54.727 -15.486 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -22.865 55.298 -14.981 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -23.726 55.211 -15.389 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -22.887 56.154 -14.554 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -21.658 57.958 -25.221 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -22.089 57.513 -24.491 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -22.376 58.330 -25.733 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -28.416 57.700 -18.169 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -27.785 57.671 -17.449 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -27.966 57.275 -18.899 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -27.141 58.446 -22.745 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -26.667 59.037 -23.330 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -27.859 58.977 -22.398 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -23.873 56.836 -19.583 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -24.190 55.934 -19.618 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -23.092 56.838 -20.135 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -25.938 57.810 -11.260 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -26.831 58.149 -11.327 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -26.037 56.955 -10.842 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -22.678 57.075 -22.812 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -22.761 57.964 -22.466 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -21.788 56.810 -22.581 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -20.832 54.702 -11.717 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -20.930 55.649 -11.823 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -21.575 54.330 -12.193 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -26.724 57.330 -15.968 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -26.279 56.538 -15.666 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -26.258 58.046 -15.537 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -28.420 60.329 -14.899 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -27.928 60.108 -15.689 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -28.058 61.170 -14.618 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -28.107 56.587 -20.844 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -29.032 56.796 -20.974 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -27.653 57.071 -21.534 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -28.143 55.325 -12.500 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -28.808 55.079 -11.857 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -28.586 55.947 -13.077 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -25.667 54.832 -18.669 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -26.444 54.598 -19.177 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -25.136 54.035 -18.661 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -21.087 54.759 -18.856 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -20.213 55.147 -18.886 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -21.223 54.544 -17.933 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -24.969 56.546 -24.423 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -24.478 55.916 -24.951 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -24.346 56.842 -23.760 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -19.943 56.839 -21.966 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -19.765 56.193 -21.283 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -19.997 57.673 -21.499 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -25.709 55.346 -9.152 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -26.075 54.581 -8.709 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -24.796 55.375 -8.865 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -3.623 -5.003 12.004 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -2.855 -5.462 12.345 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -3.644 -5.229 11.074 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -8.187 -12.294 20.067 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -7.973 -13.064 20.594 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -7.449 -12.205 19.464 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 2.731 -15.354 23.154 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 2.874 -16.301 23.174 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 2.625 -15.147 22.225 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -7.494 -14.856 21.188 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -6.840 -15.406 21.620 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -7.470 -15.130 20.272 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -2.338 -13.306 20.404 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -1.722 -13.832 20.913 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -2.924 -13.946 20.000 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 2.065 -8.835 18.044 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 1.769 -9.157 17.193 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 1.741 -7.935 18.086 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -5.710 -16.443 22.453 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -5.097 -15.810 22.826 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -5.198 -16.915 21.796 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -8.206 -9.024 16.357 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -8.478 -8.795 15.468 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -8.161 -8.186 16.817 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 4.830 -7.720 18.204 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 4.573 -8.410 17.592 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 4.901 -8.163 19.049 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 6.516 -9.154 26.681 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 6.656 -9.745 25.942 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 6.684 -8.281 26.325 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 0.989 -12.192 16.453 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 0.277 -11.657 16.102 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 1.680 -12.136 15.793 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 8.358 -12.814 24.747 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 7.706 -12.119 24.836 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 8.823 -12.604 23.937 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 4.395 -11.982 17.405 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 3.663 -11.754 17.978 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 4.842 -12.696 17.860 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 4.292 -13.808 26.473 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 4.372 -13.045 27.045 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 3.691 -13.529 25.782 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -3.960 -11.352 19.288 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -4.290 -11.722 18.469 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -3.372 -12.022 19.634 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -3.593 -12.583 22.921 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -3.028 -12.462 22.158 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -3.274 -11.946 23.560 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -4.970 -12.282 16.877 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -5.262 -11.514 16.386 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -5.644 -12.942 16.714 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 9.071 -6.473 28.258 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 9.022 -7.428 28.221 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 8.245 -6.205 28.660 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -5.882 -4.338 18.721 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -5.730 -4.686 19.600 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -6.733 -4.694 18.466 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 3.566 -3.973 13.943 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 3.941 -4.717 13.472 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 3.570 -4.243 14.861 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 3.235 -4.047 16.692 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 2.300 -3.947 16.871 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 3.515 -4.756 17.270 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 6.223 -14.980 28.738 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 5.816 -14.499 28.018 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 6.264 -15.885 28.431 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 3.980 -16.648 26.959 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 3.466 -16.774 27.756 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 3.825 -15.736 26.714 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -3.918 -15.160 23.826 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -4.560 -15.201 24.535 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -3.881 -14.234 23.588 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 1.615 -14.523 17.555 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 1.206 -13.708 17.263 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 2.335 -14.663 16.940 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 0.717 -14.348 29.043 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 0.154 -15.052 29.363 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 1.543 -14.468 29.510 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 2.619 -15.077 20.369 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 2.424 -14.472 19.654 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 2.801 -15.911 19.934 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -6.168 -14.840 25.693 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -6.206 -14.440 26.561 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -6.659 -15.657 25.783 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 3.066 -18.277 23.088 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 2.389 -18.146 23.752 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 2.580 -18.432 22.278 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 6.353 -2.605 29.365 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 6.553 -2.181 28.530 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 7.009 -2.262 29.972 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -0.019 -14.724 21.711 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 0.545 -15.271 21.164 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -0.167 -15.246 22.500 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -1.393 -16.336 24.125 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -2.228 -15.882 24.235 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -0.869 -16.060 24.877 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -0.849 -10.123 15.810 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -1.593 -10.630 15.487 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -0.983 -10.074 16.756 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 1.277 -8.664 14.835 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 0.982 -7.838 15.217 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 0.574 -9.284 15.031 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -8.716 -12.367 26.894 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -8.493 -12.785 27.726 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -9.318 -12.980 26.472 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -1.699 -12.850 29.107 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -1.995 -13.016 28.212 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -0.768 -13.070 29.097 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 8.616 -9.432 28.201 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 7.764 -9.194 27.834 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 9.206 -9.449 27.448 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 6.948 -6.446 15.829 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 6.575 -7.272 16.139 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 7.225 -6.629 14.932 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -1.922 -9.647 18.560 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -2.163 -8.722 18.602 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -2.662 -10.106 18.956 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 5.206 -9.797 15.876 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 4.929 -10.525 16.432 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 6.133 -9.678 16.082 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -1.569 -7.358 12.097 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -1.330 -8.106 11.549 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -1.838 -7.746 12.929 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -2.632 -7.788 14.553 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -2.485 -8.308 15.343 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -2.635 -6.881 14.859 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 1.653 -17.873 25.342 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 2.351 -17.799 25.992 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 1.272 -18.737 25.497 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 0.106 -6.090 15.302 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -0.711 -5.593 15.355 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 0.635 -5.615 14.662 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 0.173 -15.507 26.459 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 0.292 -14.933 27.216 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 0.828 -16.195 26.574 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 4.979 -13.849 21.390 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 4.182 -14.264 21.061 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 5.424 -14.540 21.881 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -5.563 -7.921 13.960 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -4.971 -7.222 14.236 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -5.104 -8.354 13.241 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -7.509 -6.535 17.910 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -8.341 -6.062 17.937 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -6.963 -6.025 17.311 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -3.623 -5.003 30.860 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -2.855 -5.462 31.201 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -3.644 -5.229 29.930 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 0.469 -5.495 12.235 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.175 -6.126 12.557 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 1.231 -6.026 12.003 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 2.954 -6.623 29.589 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 2.603 -7.479 29.832 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 3.680 -6.480 30.196 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -8.313 -10.112 30.194 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -8.169 -11.014 29.908 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -9.086 -9.826 29.706 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -1.658 -10.142 29.627 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -1.986 -9.871 28.769 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -1.506 -11.083 29.539 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.481 -12.912 29.614 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -7.073 -13.769 29.493 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.741 -12.897 30.535 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -3.534 -13.903 26.988 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -4.152 -13.228 27.269 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -3.190 -13.582 26.155 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 1.486 -11.432 30.266 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 2.439 -11.348 30.238 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 1.326 -12.143 30.885 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -3.194 -16.548 28.071 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -3.044 -17.277 27.468 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -3.192 -15.771 27.512 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -1.200 -12.739 25.803 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -0.449 -12.895 25.230 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -1.539 -11.887 25.527 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 4.532 -12.135 28.909 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 4.251 -11.426 28.331 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 5.475 -12.208 28.758 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -4.716 -15.350 29.982 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -5.483 -15.882 29.772 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -4.037 -15.660 29.383 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -1.854 -2.862 13.896 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -0.921 -2.704 14.040 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -2.118 -2.187 13.271 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -9.637 -2.833 18.456 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -10.284 -3.295 17.923 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -9.282 -3.505 19.039 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -8.767 -4.752 20.261 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -9.101 -5.633 20.433 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -8.545 -4.407 21.125 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 8.345 -4.376 26.163 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 7.858 -5.111 25.792 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 8.894 -4.769 26.841 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 6.796 -8.586 30.801 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 5.930 -8.691 31.195 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 7.172 -7.827 31.248 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 8.491 -12.276 18.139 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 7.765 -12.755 18.537 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 9.072 -12.070 18.871 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 8.250 -9.491 23.087 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 9.084 -9.869 22.806 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 8.362 -8.548 22.968 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 6.737 -6.613 25.394 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 6.089 -6.288 26.019 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 6.219 -7.053 24.719 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 6.278 -13.755 18.702 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 6.128 -14.700 18.682 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 5.924 -13.474 19.546 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -8.687 -11.677 22.712 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -8.503 -11.759 21.777 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -7.838 -11.801 23.136 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 7.134 -11.785 28.341 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 7.717 -12.519 28.532 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 7.698 -11.013 28.387 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 6.600 -15.591 22.600 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 7.533 -15.379 22.566 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 6.365 -15.489 23.523 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 6.629 -14.854 25.376 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 5.786 -14.586 25.742 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 7.072 -14.032 25.165 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -9.564 -15.095 22.813 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -9.072 -15.316 22.023 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -9.202 -14.254 23.094 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 2.515 -3.265 27.818 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 3.192 -3.897 27.578 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 2.837 -2.863 28.626 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -8.073 -4.846 15.744 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -8.758 -4.884 15.076 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -8.070 -3.933 16.032 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 0.791 -3.636 14.141 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 1.657 -3.270 13.963 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 0.544 -4.076 13.328 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 7.500 -4.073 16.821 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 7.306 -4.821 16.256 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 7.461 -3.315 16.237 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -6.255 -3.926 12.769 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -6.523 -3.639 13.642 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -5.484 -4.472 12.921 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 6.718 -5.322 28.971 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 5.936 -5.508 28.451 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 6.646 -4.393 29.188 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 4.743 -11.787 31.576 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 4.785 -12.010 30.646 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 5.592 -11.389 31.766 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -7.594 -12.448 32.427 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.978 -11.821 32.806 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -8.456 -12.132 32.698 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -1.569 -7.358 30.953 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -1.330 -8.106 30.405 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -1.838 -7.746 31.785 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -2.632 -7.788 33.409 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -2.485 -8.308 34.199 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -2.635 -6.881 33.715 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -5.563 -7.921 32.816 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -4.971 -7.222 33.092 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -5.104 -8.354 32.097 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 0.469 -5.495 31.091 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -0.175 -6.126 31.413 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 1.231 -6.026 30.859 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -3.972 -9.768 31.182 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -3.908 -10.562 31.713 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -3.319 -9.887 30.493 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 1.380 -8.721 30.918 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 1.112 -8.541 31.819 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 1.174 -9.647 30.787 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -1.854 -2.862 32.752 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -0.921 -2.704 32.896 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -2.118 -2.187 32.127 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -8.286 -8.226 32.235 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -7.372 -8.147 32.508 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -8.279 -8.913 31.568 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -8.073 -4.846 34.600 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -8.758 -4.884 33.932 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -8.070 -3.933 34.888 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -6.255 -3.926 31.625 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -6.523 -3.639 32.498 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -5.484 -4.472 31.777 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -5.507 10.740 -15.164 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -5.877 9.938 -15.533 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -4.566 10.571 -15.117 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -4.327 10.161 -12.137 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -4.333 11.040 -12.515 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -5.181 10.078 -11.712 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -2.593 10.932 -15.743 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -2.688 10.354 -16.500 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -1.864 10.561 -15.247 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -2.713 10.672 -10.074 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -3.025 11.454 -9.618 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.363 10.519 -10.760 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -4.474 12.744 -9.310 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.466 12.608 -10.258 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.390 12.626 -9.058 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -8.877 8.937 -12.020 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -9.378 8.909 -12.835 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -8.871 8.031 -11.710 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -5.882 14.518 -18.991 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -5.730 14.170 -18.112 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -6.733 14.162 -19.246 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -6.628 10.260 -10.977 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -6.411 9.899 -10.117 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -7.483 9.886 -11.187 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.049 8.725 -8.739 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -5.316 8.979 -8.178 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -6.829 8.929 -8.224 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -5.724 8.028 -16.133 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -4.979 8.026 -16.734 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -5.646 7.204 -15.651 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -7.509 12.321 -19.802 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -8.341 12.794 -19.775 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -6.963 12.831 -20.401 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -3.623 13.853 -6.852 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -2.855 13.394 -6.511 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -3.644 13.627 -7.782 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -8.313 8.744 -7.518 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -8.169 7.842 -7.804 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -9.086 9.030 -8.006 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -9.637 16.023 -19.256 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -10.284 15.561 -19.789 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -9.282 15.351 -18.673 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -8.687 7.179 -15.000 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -8.503 7.097 -15.935 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -7.838 7.055 -14.576 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -4.141 12.907 -12.097 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -4.566 13.716 -12.380 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -3.236 12.992 -12.399 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 0.170 14.306 -9.138 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 0.355 13.972 -8.260 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 1.017 14.615 -9.460 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -4.272 15.763 -13.020 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -5.137 15.835 -12.616 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -4.327 16.310 -13.804 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -5.183 13.496 -16.484 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -5.402 12.580 -16.315 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -4.359 13.636 -16.018 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -2.646 13.966 -15.636 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -2.433 13.078 -15.923 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -2.581 13.932 -14.681 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -8.073 14.010 -21.968 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -8.758 13.972 -22.636 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -8.070 14.923 -21.680 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -5.507 10.740 3.692 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -5.877 9.938 3.323 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -4.566 10.571 3.739 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -8.206 9.832 -2.499 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -8.478 10.061 -3.388 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -8.161 10.670 -2.039 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -8.877 8.937 6.836 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -9.378 8.909 6.021 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -8.871 8.031 7.146 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 0.464 15.729 -1.916 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 0.389 15.608 -2.862 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 0.497 16.679 -1.797 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -5.882 14.518 -0.135 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -5.730 14.170 0.744 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -6.733 14.162 -0.390 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -6.628 10.260 7.879 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -6.411 9.899 8.739 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -7.483 9.886 7.669 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -3.238 14.231 -0.751 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -4.188 14.336 -0.699 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -2.887 15.051 -0.406 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -7.431 13.047 6.031 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -7.214 12.115 6.000 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -7.184 13.321 6.915 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -1.569 11.498 -6.759 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -1.330 10.750 -7.307 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -1.838 11.110 -5.927 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -2.632 11.068 -4.303 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -2.485 10.548 -3.513 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -2.635 11.975 -3.997 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -6.179 8.321 -3.793 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -6.865 8.673 -3.226 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -5.656 9.084 -4.039 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 0.106 12.766 -3.554 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -0.711 13.263 -3.501 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 0.635 13.241 -4.194 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -2.556 13.809 -3.572 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -2.395 14.609 -4.073 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -2.753 14.116 -2.687 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -5.563 10.935 -4.896 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -4.971 11.634 -4.620 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -5.104 10.502 -5.615 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -7.509 12.321 -0.946 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -8.341 12.794 -0.919 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -6.963 12.831 -1.545 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -8.220 14.934 10.384 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -7.680 14.717 11.143 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -8.701 14.128 10.194 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 0.469 13.361 -6.621 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -0.175 12.730 -6.299 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 1.231 12.830 -6.853 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -3.972 9.088 -6.530 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -3.908 8.294 -5.999 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -3.319 8.969 -7.219 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -4.716 3.506 11.126 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -5.483 2.974 10.916 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -4.037 3.196 10.527 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -0.712 2.456 10.702 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -0.948 2.236 11.604 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -1.495 2.249 10.193 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -6.535 1.427 10.831 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -6.324 0.720 10.220 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -6.647 0.989 11.675 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -1.401 -0.889 11.864 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -1.532 -1.365 11.043 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -2.000 -0.145 11.808 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -1.854 15.994 -4.960 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -0.921 16.152 -4.816 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -2.118 16.669 -5.585 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -8.286 10.630 -5.477 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -7.372 10.709 -5.204 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -8.279 9.943 -6.144 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -8.687 7.179 3.856 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -8.503 7.097 2.921 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -7.838 7.055 4.280 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -7.095 11.932 10.500 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -7.916 12.107 10.040 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -7.347 11.859 11.421 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.141 12.907 6.759 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.566 13.716 6.476 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.236 12.992 6.457 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -6.739 16.163 6.806 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -7.459 16.603 6.355 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -7.105 15.912 7.655 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -4.272 15.763 5.836 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -5.137 15.835 6.240 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -4.327 16.310 5.052 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -5.183 13.496 2.372 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -5.402 12.580 2.541 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -4.359 13.636 2.838 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -2.646 13.966 3.220 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -2.433 13.078 2.933 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -2.581 13.932 4.175 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 0.791 15.220 -4.715 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 1.657 15.586 -4.893 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 0.544 14.780 -5.528 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -4.880 -1.871 11.240 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -3.981 -2.145 11.055 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -5.266 -2.614 11.704 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 2.268 7.420 19.001 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 2.357 8.364 18.869 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 1.629 7.145 18.343 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 4.907 9.614 20.722 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 4.466 8.894 21.172 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 4.894 10.335 21.352 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -5.507 10.740 22.548 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -5.877 9.938 22.179 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -4.566 10.571 22.595 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -8.897 4.400 17.941 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -9.345 5.246 17.923 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -9.458 3.820 17.426 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -0.410 9.108 22.826 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -0.106 8.422 22.232 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 0.312 9.226 23.444 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 8.645 2.187 25.923 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 7.956 2.845 25.828 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 8.660 1.990 26.860 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 2.065 10.021 18.044 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 1.769 9.699 17.193 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 1.741 10.921 18.086 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -4.327 10.161 25.575 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -4.333 11.040 25.197 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -5.181 10.078 26.000 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 0.989 6.664 16.453 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 0.277 7.199 16.102 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 1.680 6.720 15.793 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 1.043 5.122 13.492 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 1.744 5.144 14.143 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 1.345 4.494 12.836 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 4.395 6.874 17.405 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 3.663 7.102 17.978 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 4.842 6.160 17.860 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 4.292 5.048 26.473 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 4.372 5.811 27.045 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 3.691 5.327 25.782 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -3.960 7.504 19.288 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -4.290 7.134 18.469 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -3.372 6.834 19.634 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -2.593 10.932 21.969 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -2.688 10.354 21.212 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -1.864 10.561 22.465 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -2.713 10.672 27.638 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -3.025 11.454 28.094 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.363 10.519 26.952 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 3.266 6.036 15.090 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 3.845 6.186 15.837 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 3.680 6.507 14.367 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -4.474 12.744 28.402 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -4.466 12.608 27.454 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -5.390 12.626 28.654 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 6.964 -2.214 14.903 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 6.065 -2.075 15.198 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 7.216 -1.383 14.501 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -9.126 11.717 22.576 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -8.180 11.573 22.557 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -9.239 12.501 23.113 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 0.050 11.957 27.134 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 0.137 12.783 27.609 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -0.814 11.627 27.383 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 6.223 3.876 28.738 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 5.816 4.357 28.018 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 6.264 2.971 28.431 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 3.980 2.208 26.959 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 3.466 2.082 27.756 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 3.825 3.120 26.714 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 0.316 0.945 13.390 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 0.062 0.964 14.313 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 0.059 0.073 13.089 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 0.717 4.508 29.043 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 0.154 3.804 29.363 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 1.543 4.388 29.510 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.802 1.390 12.491 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -3.233 0.945 13.221 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -3.520 1.762 11.979 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -9.560 1.132 19.543 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -8.929 1.103 20.263 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -9.110 0.707 18.813 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -8.285 1.878 14.967 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.811 2.469 14.382 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -9.003 2.409 15.314 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -4.184 4.168 13.874 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -4.726 3.788 13.183 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -3.350 4.362 13.445 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -0.849 8.733 15.810 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -1.593 8.226 15.487 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -0.983 8.782 16.756 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 6.301 7.866 24.596 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 6.943 8.323 24.053 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 5.471 7.979 24.134 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 3.049 1.547 14.009 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 2.111 1.659 13.858 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 3.346 2.404 14.315 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 0.671 8.917 27.047 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 0.325 8.536 27.853 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 0.471 9.851 27.118 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 3.767 3.414 15.670 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 4.659 3.277 15.989 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 3.824 4.205 15.133 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -5.724 8.028 21.579 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -4.979 8.026 20.978 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -5.646 7.204 22.061 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -1.699 6.006 29.107 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -1.995 5.840 28.212 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -0.768 5.786 29.097 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 4.108 7.218 22.851 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 3.180 6.986 22.824 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 4.559 6.441 22.521 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -7.594 6.408 13.571 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -6.978 7.035 13.950 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -8.456 6.724 13.842 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -1.922 9.209 18.560 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -2.163 10.134 18.602 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -2.662 8.750 18.956 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 2.137 9.457 24.576 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 1.711 9.230 25.402 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 2.718 8.719 24.393 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -7.431 13.047 24.887 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -7.214 12.115 24.856 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -7.184 13.321 25.771 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -6.179 8.321 15.063 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -6.865 8.673 15.630 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -5.656 9.084 14.817 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 2.437 0.635 16.439 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 2.657 1.107 15.636 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 2.995 1.030 17.110 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 6.377 1.256 27.294 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 5.461 1.519 27.206 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 6.713 1.253 26.397 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -7.247 3.599 13.076 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -7.292 4.538 13.255 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -8.135 3.363 12.806 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -3.623 13.853 30.860 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -2.855 13.394 31.201 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -3.644 13.627 29.930 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -1.658 8.714 29.627 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -1.986 8.985 28.769 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -1.506 7.773 29.539 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -2.823 7.060 14.632 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -3.282 6.576 15.318 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -2.568 6.392 13.996 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -1.752 5.303 12.895 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -1.932 5.149 11.967 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -0.801 5.411 12.939 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 1.486 7.424 30.266 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 2.439 7.508 30.238 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 1.326 6.713 30.885 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -0.712 2.456 29.558 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -0.948 2.236 30.460 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -1.495 2.249 29.049 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 2.004 1.583 28.634 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 1.056 1.615 28.766 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 2.316 0.958 29.288 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 3.638 0.217 30.639 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 3.541 -0.735 30.633 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 3.316 0.486 31.500 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -6.535 1.427 29.687 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -6.324 0.720 29.076 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -6.647 0.989 30.531 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.754 -2.572 28.666 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -1.042 -3.212 28.652 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -1.855 -2.305 27.752 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -1.401 -0.889 30.720 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -1.532 -1.365 29.899 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -2.000 -0.145 30.664 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -9.637 16.023 18.456 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -10.284 15.561 17.923 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -9.282 15.351 19.039 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -8.767 14.104 20.261 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -9.101 13.223 20.433 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -8.545 14.449 21.125 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 8.491 6.580 18.139 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 7.765 6.101 18.537 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 9.072 6.786 18.871 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 6.278 5.101 18.702 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 6.128 4.156 18.682 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 5.924 5.382 19.546 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 5.988 2.684 17.164 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 6.268 1.777 17.289 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 6.747 3.118 16.775 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 6.600 3.265 22.600 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 7.533 3.477 22.566 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 6.365 3.367 23.523 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 6.629 4.002 25.376 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 5.786 4.270 25.742 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 7.072 4.824 25.165 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 8.912 -2.018 30.730 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 9.262 -2.672 30.124 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 9.059 -1.181 30.290 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 6.602 -0.053 17.213 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 6.784 -0.502 18.038 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 6.002 -0.638 16.749 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 8.432 0.091 29.079 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 7.515 0.362 29.043 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 8.555 -0.444 28.295 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -9.251 0.019 16.868 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -10.176 0.228 16.738 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -8.797 0.503 16.178 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -4.141 12.907 25.615 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -4.566 13.716 25.332 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -3.236 12.992 25.313 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -6.739 16.163 25.662 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -7.459 16.603 25.211 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -7.105 15.912 26.511 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -7.324 14.786 22.573 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -7.343 14.361 23.430 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -6.519 14.468 22.164 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -7.974 -1.938 14.846 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -7.535 -1.327 14.255 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -8.608 -1.400 15.320 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 4.679 -1.753 16.198 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 3.976 -1.139 15.988 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 4.234 -2.591 16.329 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -8.073 14.010 15.744 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -8.758 13.972 15.076 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -8.070 14.923 16.032 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -6.113 -0.022 13.289 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -5.622 -0.652 12.761 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -5.490 0.274 13.952 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -4.880 -1.871 30.096 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -3.981 -2.145 29.911 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -5.266 -2.614 30.560 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 3.542 -2.539 30.278 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 3.618 -2.965 31.132 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 4.435 -2.525 29.936 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -8.897 4.400 36.797 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -9.345 5.246 36.779 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -9.458 3.820 36.282 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -8.206 9.832 35.213 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -8.478 10.061 34.324 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -8.161 10.670 35.673 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -4.970 6.574 35.733 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -5.262 7.342 35.242 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -5.644 5.914 35.570 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -5.882 14.518 37.577 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -5.730 14.170 38.456 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -6.733 14.162 37.322 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -2.802 1.390 31.347 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -3.233 0.945 32.077 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -3.520 1.762 30.835 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -8.285 1.878 33.823 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -7.811 2.469 33.238 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -9.003 2.409 34.170 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -4.184 4.168 32.730 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -4.726 3.788 32.039 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -3.350 4.362 32.301 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -7.594 6.408 32.427 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -6.978 7.035 32.806 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -8.456 6.724 32.698 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -1.569 11.498 30.953 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -1.330 10.750 30.405 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -1.838 11.110 31.785 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.632 11.068 33.409 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -2.485 10.548 34.199 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -2.635 11.975 33.715 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -6.179 8.321 33.919 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -6.865 8.673 34.486 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -5.656 9.084 33.673 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -5.563 10.935 32.816 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -4.971 11.634 33.092 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -5.104 10.502 32.097 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -7.247 3.599 31.932 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -7.292 4.538 32.111 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -8.135 3.363 31.662 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -7.509 12.321 36.766 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -8.341 12.794 36.793 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -6.963 12.831 36.167 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -3.972 9.088 31.182 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -3.908 8.294 31.713 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -3.319 8.969 30.493 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -2.823 7.060 33.488 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -3.282 6.576 34.174 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -2.568 6.392 32.852 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -1.752 5.303 31.751 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -1.932 5.149 30.823 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -0.801 5.411 31.795 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -1.854 15.994 32.752 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -0.921 16.152 32.896 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -2.118 16.669 32.127 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -9.637 16.023 37.312 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -10.284 15.561 36.779 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -9.282 15.351 37.895 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -7.974 -1.938 33.702 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -7.535 -1.327 33.111 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -8.608 -1.400 34.176 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -8.073 14.010 34.600 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -8.758 13.972 33.932 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -8.070 14.923 34.888 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -6.113 -0.022 32.145 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -5.622 -0.652 31.617 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -5.490 0.274 32.808 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.255 14.930 31.625 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -6.523 15.217 32.498 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -5.484 14.384 31.777 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 1.201 25.531 -15.292 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 1.163 24.885 -14.587 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 0.878 25.065 -16.063 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -8.187 25.418 -17.645 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -7.973 24.648 -17.118 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -7.449 25.507 -18.248 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 2.018 33.575 -16.778 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 2.638 32.898 -17.051 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 1.810 33.357 -15.870 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -0.410 27.964 -14.886 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -0.106 27.278 -15.480 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 0.312 28.082 -14.268 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -4.114 20.459 -17.286 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -4.071 21.319 -17.704 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -4.572 19.907 -17.919 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -7.494 22.856 -16.524 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -6.840 22.306 -16.092 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -7.470 22.582 -17.440 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -2.338 24.406 -17.308 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -1.722 23.880 -16.799 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -2.924 23.766 -17.712 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.304 19.377 -13.212 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -5.523 19.907 -13.978 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -5.972 19.604 -12.564 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -5.710 21.269 -15.259 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -5.097 21.902 -14.886 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -5.198 20.797 -15.916 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 4.292 23.904 -11.239 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 4.372 24.667 -10.667 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 3.691 24.183 -11.930 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -3.960 26.360 -18.424 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -4.290 25.990 -19.243 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -3.372 25.690 -18.078 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -2.593 29.788 -15.743 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -2.688 29.210 -16.500 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -1.864 29.417 -15.247 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 2.716 30.632 -14.057 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 2.475 31.294 -13.409 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 2.518 29.798 -13.632 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 0.992 31.629 -19.187 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 1.466 31.924 -18.409 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 0.429 32.367 -19.420 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 0.050 30.813 -10.578 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 0.137 31.639 -10.103 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -0.814 30.483 -10.329 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -5.882 33.374 -18.991 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -5.730 33.026 -18.112 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -6.733 33.018 -19.246 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -4.009 17.586 -14.981 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -4.870 17.499 -15.389 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -4.031 18.442 -14.554 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 3.980 21.064 -10.753 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 3.466 20.938 -9.956 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 3.825 21.976 -10.998 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -9.560 19.988 -18.169 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -8.929 19.959 -17.449 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -9.110 19.563 -18.899 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 1.883 24.273 -12.672 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 2.207 23.642 -13.315 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 1.443 23.738 -12.011 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -0.019 22.988 -16.001 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 0.545 22.441 -16.548 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -0.167 22.466 -15.212 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -1.393 21.376 -13.587 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -2.228 21.830 -13.477 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -0.869 21.652 -12.835 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 0.671 27.773 -10.665 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 0.325 27.392 -9.859 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 0.471 28.707 -10.594 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -5.724 26.884 -16.133 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -4.979 26.882 -16.734 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -5.646 26.060 -15.651 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 2.921 30.235 -10.715 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 2.020 30.418 -10.983 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 2.955 30.494 -9.794 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -3.349 30.402 -18.728 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -2.822 31.175 -18.929 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -4.229 30.627 -19.030 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -1.922 28.065 -19.152 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -2.163 28.990 -19.110 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -2.662 27.606 -18.756 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.238 33.087 -19.607 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.188 33.192 -19.555 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -2.887 33.907 -19.262 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 2.137 28.313 -13.136 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 1.711 28.086 -12.310 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 2.718 27.575 -13.319 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 4.796 32.865 -10.667 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 4.194 32.310 -11.162 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 5.077 33.532 -11.293 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 1.653 19.839 -12.370 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 2.351 19.913 -11.720 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 1.272 18.975 -12.215 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 0.173 22.205 -11.253 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 0.292 22.779 -10.496 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 0.828 21.517 -11.138 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -6.439 17.237 -15.963 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -6.668 17.296 -16.890 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -6.882 16.445 -15.656 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -7.509 31.177 -19.802 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -8.341 31.650 -19.775 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -6.963 31.687 -20.401 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 2.954 31.089 -8.123 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 2.603 30.233 -7.880 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 3.680 31.232 -7.516 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 4.077 27.486 -10.702 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 4.822 28.074 -10.822 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 3.320 28.068 -10.639 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -2.782 19.534 -12.149 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -2.246 19.985 -12.801 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -3.634 19.426 -12.571 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 3.216 22.788 -6.881 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 3.408 21.857 -6.992 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 4.073 23.213 -6.891 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 4.532 25.577 -8.803 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 4.251 26.286 -9.381 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 5.475 25.504 -8.954 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -1.976 16.990 -11.717 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -2.074 17.937 -11.823 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -2.719 16.618 -12.193 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 2.004 20.439 -9.078 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 1.056 20.471 -8.946 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 2.316 19.814 -8.424 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 3.638 19.073 -7.073 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 3.541 18.121 -7.079 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 3.316 19.342 -6.212 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -1.754 16.284 -9.046 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -1.042 15.644 -9.060 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -1.855 16.551 -9.960 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -9.637 34.879 -19.256 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -10.284 34.417 -19.789 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -9.282 34.207 -18.673 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -8.767 32.960 -17.451 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -9.101 32.079 -17.279 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -8.545 33.305 -16.587 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 6.796 29.126 -6.911 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 5.930 29.021 -6.517 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 7.172 29.885 -6.464 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -8.687 26.035 -15.000 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -8.503 25.953 -15.935 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -7.838 25.911 -14.576 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -7.868 19.618 -15.968 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -7.423 18.826 -15.666 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -7.402 20.334 -15.537 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -9.251 18.875 -20.844 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -10.176 19.084 -20.974 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -8.797 19.359 -21.534 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 0.170 33.162 -9.138 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 0.355 32.828 -8.260 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 1.017 33.471 -9.460 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 2.515 34.447 -9.894 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 3.192 33.815 -10.134 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 2.837 34.849 -9.086 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 2.766 33.385 -12.899 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 1.862 33.550 -13.165 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 3.195 34.238 -12.965 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -5.183 32.352 -16.484 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -5.402 31.436 -16.315 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -4.359 32.492 -16.018 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -6.811 17.120 -18.669 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -7.588 16.886 -19.177 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -6.280 16.323 -18.661 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -8.073 32.866 -21.968 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -8.758 32.828 -22.636 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -8.070 33.779 -21.680 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 2.268 26.276 0.145 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 2.357 27.220 0.013 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 1.629 26.001 -0.513 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 1.201 25.531 3.564 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 1.163 24.885 4.269 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 0.878 25.065 2.793 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -5.507 29.596 3.692 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -5.877 28.794 3.323 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -4.566 29.427 3.739 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 2.018 33.575 2.078 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 2.638 32.898 1.805 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 1.810 33.357 2.986 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -0.410 27.964 3.970 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -0.106 27.278 3.376 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 0.312 28.082 4.588 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -4.114 20.459 1.570 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -4.071 21.319 1.152 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -4.572 19.907 0.937 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 3.608 20.590 -0.029 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 4.254 20.261 0.596 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 4.118 21.108 -0.652 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -5.304 19.377 5.644 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -5.523 19.907 4.878 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -5.972 19.604 6.292 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 2.065 28.877 -0.812 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 1.769 28.555 -1.663 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 1.741 29.777 -0.770 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -2.735 27.053 5.932 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -3.475 27.651 6.035 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -2.021 27.607 5.616 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -4.327 29.017 6.719 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -4.333 29.896 6.341 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -5.181 28.934 7.144 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -1.278 16.683 3.097 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -1.395 15.734 3.043 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -2.133 17.015 3.370 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 3.671 32.091 0.839 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 4.096 31.384 0.354 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 3.988 32.892 0.422 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 4.830 29.992 -0.652 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 4.573 29.302 -1.264 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 4.901 29.549 0.193 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 0.989 25.520 -2.403 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 0.277 26.055 -2.754 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 1.680 25.576 -3.063 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 4.395 25.730 -1.451 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 3.663 25.958 -0.878 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 4.842 25.016 -0.996 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -3.593 25.129 4.065 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -3.028 25.250 3.302 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -3.274 25.766 4.704 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 3.266 24.892 -3.766 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 3.845 25.042 -3.019 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 3.680 25.363 -4.489 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -5.793 25.726 8.011 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -5.723 26.377 8.709 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -6.684 25.829 7.676 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -8.877 27.793 6.836 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -9.378 27.765 6.021 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -8.871 26.887 7.146 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 3.566 33.739 -4.913 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 3.941 32.995 -5.384 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 3.570 33.469 -3.995 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 3.235 33.665 -2.164 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 2.300 33.765 -1.985 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 3.515 32.956 -1.586 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -6.628 29.116 7.879 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -6.411 28.755 8.739 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -7.483 28.742 7.669 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -4.009 17.586 3.875 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -4.870 17.499 3.467 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -4.031 18.442 4.302 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 4.743 25.925 -6.136 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 4.785 25.702 -7.066 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 5.592 26.323 -5.946 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -3.918 22.552 4.970 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -4.560 22.511 5.679 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -3.881 23.478 4.732 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 1.615 23.189 -1.301 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 1.206 24.004 -1.593 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 2.335 23.049 -1.916 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 2.619 22.635 1.513 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 2.424 23.240 0.798 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 2.801 21.801 1.078 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -6.168 22.872 6.837 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -6.206 23.272 7.705 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -6.659 22.055 6.927 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -1.339 20.200 0.968 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -2.250 20.257 1.257 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -0.834 20.140 1.779 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -6.049 27.581 10.117 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -5.316 27.835 10.678 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -6.829 27.785 10.632 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -0.019 22.988 2.855 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 0.545 22.441 2.308 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -0.167 22.466 3.644 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -1.393 21.376 5.269 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -2.228 21.830 5.379 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -0.869 21.652 6.021 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 3.049 20.403 -4.847 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 2.111 20.515 -4.998 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 3.346 21.260 -4.541 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 3.767 22.270 -3.186 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 4.659 22.133 -2.867 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 3.824 23.061 -3.723 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -8.716 25.345 8.038 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -8.493 24.927 8.870 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -9.318 24.732 7.616 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 6.948 31.266 -3.027 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 6.575 30.440 -2.717 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 7.225 31.083 -3.924 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -1.407 32.214 6.019 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -1.044 33.069 5.786 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -0.875 31.922 6.760 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 4.340 29.242 -5.206 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 4.693 28.862 -4.402 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 3.391 29.149 -5.120 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -7.082 20.098 7.596 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -7.975 20.437 7.529 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -7.181 19.243 8.014 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 5.206 27.915 -2.980 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 4.929 27.187 -2.424 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 6.133 28.034 -2.774 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -7.431 31.903 6.031 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -7.214 30.971 6.000 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -7.184 32.177 6.915 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 2.437 19.491 -2.417 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 2.657 19.963 -3.220 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 2.995 19.886 -1.746 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 0.521 18.300 -0.644 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 0.174 18.918 0.001 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 1.179 18.801 -1.125 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -6.439 17.237 2.893 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -6.668 17.296 1.966 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -6.882 16.445 3.200 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 5.073 32.034 -6.387 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 5.356 31.240 -5.934 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 5.813 32.267 -6.948 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -7.481 24.800 10.758 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -7.073 23.943 10.637 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -7.741 24.815 11.679 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -3.534 23.809 8.132 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -4.152 24.484 8.413 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -3.190 24.130 7.299 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -2.782 19.534 6.707 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -2.246 19.985 6.055 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -3.634 19.426 6.285 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -1.200 24.973 6.947 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -0.449 24.817 6.374 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -1.539 25.825 6.671 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -6.535 20.283 10.831 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -6.324 19.576 10.220 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -6.647 19.845 11.675 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -9.089 21.306 9.997 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -8.170 21.184 10.233 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -9.539 20.556 10.386 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 5.520 33.859 -0.043 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 6.173 33.512 -0.651 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 6.031 34.348 0.603 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -4.141 31.763 6.759 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -4.566 32.572 6.476 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -3.236 31.848 6.457 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -6.739 35.019 6.806 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -7.459 35.459 6.355 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -7.105 34.768 7.655 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -4.272 34.619 5.836 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -5.137 34.691 6.240 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -4.327 35.166 5.052 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -2.646 32.822 3.220 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -2.433 31.934 2.933 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -2.581 32.788 4.175 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 0.863 18.486 2.365 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 0.188 17.857 2.620 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 1.427 18.002 1.762 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -6.811 17.120 0.187 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -7.588 16.886 -0.321 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -6.280 16.323 0.195 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -2.231 17.047 0.000 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -1.357 17.435 -0.030 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -2.367 16.832 0.923 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 7.500 33.639 -2.035 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 7.306 32.891 -2.600 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 7.461 34.397 -2.619 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -6.853 17.634 9.704 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -7.219 16.869 10.147 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -5.940 17.663 9.991 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -6.431 25.146 24.013 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -6.389 24.520 24.737 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -5.728 25.769 24.195 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -8.897 23.256 17.941 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -9.345 24.102 17.923 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -9.458 22.676 17.426 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -8.187 25.418 20.067 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -7.973 24.648 20.594 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -7.449 25.507 19.464 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -7.494 22.856 21.188 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -6.840 22.306 21.620 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -7.470 22.582 20.272 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -5.304 19.377 24.500 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -5.523 19.907 23.734 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.972 19.604 25.148 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -5.710 21.269 22.453 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -5.097 21.902 22.826 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -5.198 20.797 21.796 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -8.206 28.688 16.357 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -8.478 28.917 15.468 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -8.161 29.526 16.817 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -8.877 27.793 25.692 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -9.378 27.765 24.877 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -8.871 26.887 26.002 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -6.168 22.872 25.693 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -6.206 23.272 26.561 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -6.659 22.055 25.783 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -8.285 20.734 14.967 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -7.811 21.325 14.382 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -9.003 21.265 15.314 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -6.511 21.829 18.651 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -7.400 21.929 18.311 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -6.215 20.987 18.305 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -5.017 19.124 18.129 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -5.334 18.222 18.094 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -4.236 19.126 17.577 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -8.716 25.345 26.894 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -8.493 24.927 27.726 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -9.318 24.732 26.472 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -7.594 25.264 13.571 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -6.978 25.891 13.950 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -8.456 25.580 13.842 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -7.082 20.098 26.452 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -7.975 20.437 26.385 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -7.181 19.243 26.870 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -7.247 22.455 13.076 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -7.292 23.394 13.255 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -8.135 22.219 12.806 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -6.439 17.237 21.749 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -6.668 17.296 20.822 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -6.882 16.445 22.056 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -7.481 24.800 29.614 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -7.073 23.943 29.493 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -7.741 24.815 30.535 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -3.194 21.164 28.071 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -3.044 20.435 27.468 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -3.192 21.941 27.512 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -4.716 22.362 29.982 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -5.483 21.830 29.772 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -4.037 22.052 29.383 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -1.401 17.967 30.720 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -1.532 17.491 29.899 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -2.000 18.711 30.664 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -8.687 26.035 22.712 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -8.503 25.953 21.777 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -7.838 25.911 23.136 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -7.868 19.618 21.744 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -7.423 18.826 22.046 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -7.402 20.334 22.175 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -6.811 17.120 19.043 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -7.588 16.886 18.535 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -6.280 16.323 19.051 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -7.974 16.918 14.846 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -7.535 17.529 14.255 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -8.608 17.456 15.320 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -6.113 18.834 13.289 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -5.622 18.204 12.761 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -5.490 19.130 13.952 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -4.880 16.985 30.096 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -3.981 16.711 29.911 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -5.266 16.242 30.560 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -8.897 23.256 36.797 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -9.345 24.102 36.779 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -9.458 22.676 36.282 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -4.970 25.430 35.733 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -5.262 26.198 35.242 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -5.644 24.770 35.570 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -3.921 22.773 37.594 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -4.814 22.432 37.535 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -3.470 22.396 36.838 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -2.802 20.246 31.347 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -3.233 19.801 32.077 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -3.520 20.618 30.835 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -9.560 19.988 38.399 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -8.929 19.959 39.119 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -9.110 19.563 37.669 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -6.511 21.829 37.507 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -7.400 21.929 37.167 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -6.215 20.987 37.161 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -2.858 21.829 35.163 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -1.926 21.958 35.341 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -3.073 22.499 34.514 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -4.184 23.024 32.730 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -4.726 22.644 32.039 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -3.350 23.218 32.301 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -5.017 19.124 36.985 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -5.334 18.222 36.950 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -4.236 19.126 36.433 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -7.594 25.264 32.427 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -6.978 25.891 32.806 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -8.456 25.580 32.698 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -3.822 19.363 33.756 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -3.905 20.252 34.102 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -2.932 19.098 33.987 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -7.868 19.618 40.600 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -7.423 18.826 40.902 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -7.402 20.334 41.031 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -6.811 17.120 37.899 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -7.588 16.886 37.391 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -6.280 16.323 37.907 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -6.431 44.002 -13.699 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -6.389 43.376 -12.975 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -5.728 44.625 -13.517 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -8.897 42.112 -19.771 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -9.345 42.958 -19.789 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -9.458 41.532 -20.286 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -8.187 44.274 -17.645 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -7.973 43.504 -17.118 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -7.449 44.363 -18.248 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -4.114 39.315 -17.286 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -4.071 40.175 -17.704 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -4.572 38.763 -17.919 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -7.494 41.712 -16.524 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -6.840 41.162 -16.092 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -7.470 41.438 -17.440 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -5.710 40.125 -15.259 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -5.097 40.758 -14.886 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -5.198 39.653 -15.916 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -1.278 35.539 -15.759 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -1.395 34.590 -15.813 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -2.133 35.871 -15.486 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -5.793 44.582 -10.845 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -5.723 45.233 -10.147 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -6.684 44.685 -11.180 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 0.654 36.164 -11.607 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 1.074 35.749 -10.854 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -0.279 35.986 -11.490 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -3.918 41.408 -13.886 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -4.560 41.367 -13.177 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -3.881 42.334 -14.124 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -3.921 41.629 -18.974 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -4.814 41.288 -19.033 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -3.470 41.252 -19.730 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -6.168 41.728 -12.019 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -6.206 42.128 -11.151 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -6.659 40.911 -11.929 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -8.285 39.590 -22.745 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -7.811 40.181 -23.330 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -9.003 40.121 -22.398 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -1.339 39.056 -17.888 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -2.250 39.113 -17.599 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -0.834 38.996 -17.077 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -6.511 40.685 -19.061 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -7.400 40.785 -19.401 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -6.215 39.843 -19.407 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -5.017 37.980 -19.583 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -5.334 37.078 -19.618 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -4.236 37.982 -20.135 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -1.393 40.232 -13.587 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -2.228 40.686 -13.477 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -0.869 40.508 -12.835 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -8.716 44.201 -10.818 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -8.493 43.783 -9.986 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -9.318 43.588 -11.240 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 1.653 38.695 -12.370 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 2.351 38.769 -11.720 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 1.272 37.831 -12.215 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -7.481 43.656 -8.098 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -7.073 42.799 -8.219 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -7.741 43.671 -7.177 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -3.534 42.665 -10.724 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -4.152 43.340 -10.443 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -3.190 42.986 -11.557 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -3.194 40.020 -9.641 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -3.044 39.291 -10.244 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -3.192 40.797 -10.200 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -2.782 38.390 -12.149 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -2.246 38.841 -12.801 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -3.634 38.282 -12.571 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -4.716 41.218 -7.730 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -5.483 40.686 -7.940 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -4.037 40.908 -8.329 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -0.712 40.168 -8.154 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -0.948 39.948 -7.252 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -1.495 39.961 -8.663 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 3.638 37.929 -7.073 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 3.541 36.977 -7.079 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 3.316 38.198 -6.212 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -1.401 36.823 -6.992 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -1.532 36.347 -7.813 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -2.000 37.567 -7.048 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -8.687 44.891 -15.000 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -8.503 44.809 -15.935 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -7.838 44.767 -14.576 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -9.564 41.473 -14.899 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -9.072 41.252 -15.689 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -9.202 42.314 -14.618 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -9.251 37.731 -20.844 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -10.176 37.940 -20.974 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -8.797 38.215 -21.534 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 0.863 37.342 -16.491 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 0.188 36.713 -16.236 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 1.427 36.858 -17.094 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -7.974 35.774 -22.866 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -7.535 36.385 -23.457 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -8.608 36.312 -22.392 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -2.231 35.903 -18.856 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -1.357 36.291 -18.886 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -2.367 35.688 -17.933 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 3.542 35.173 -7.434 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 3.618 34.747 -6.580 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 4.435 35.187 -7.776 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -8.897 42.112 -0.915 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -9.345 42.958 -0.933 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -9.458 41.532 -1.430 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -4.114 39.315 1.570 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -4.071 40.175 1.152 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -4.572 38.763 0.937 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -7.494 41.712 2.332 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -6.840 41.162 2.764 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -7.470 41.438 1.416 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -5.304 38.233 5.644 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -5.523 38.763 4.878 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -5.972 38.460 6.292 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -5.710 40.125 3.597 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -5.097 40.758 3.970 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -5.198 39.653 2.940 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -1.278 35.539 3.097 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -1.395 34.590 3.043 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -2.133 35.871 3.370 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 6.964 35.498 -3.953 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 6.065 35.637 -3.658 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 7.216 36.329 -4.355 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -4.009 36.442 3.875 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -4.870 36.355 3.467 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -4.031 37.298 4.302 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 0.316 38.657 -5.466 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 0.062 38.676 -4.543 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 0.059 37.785 -5.767 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -2.802 39.102 -6.365 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -3.233 38.657 -5.635 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -3.520 39.474 -6.877 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -9.560 38.844 0.687 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -8.929 38.815 1.407 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -9.110 38.419 -0.043 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -1.339 39.056 0.968 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -2.250 39.113 1.257 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -0.834 38.996 1.779 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -6.511 40.685 -0.205 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -7.400 40.785 -0.545 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -6.215 39.843 -0.551 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -2.858 40.685 -2.549 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -1.926 40.814 -2.371 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -3.073 41.355 -3.198 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -4.184 41.880 -4.982 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -4.726 41.500 -5.673 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -3.350 42.074 -5.411 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -5.017 37.980 -0.727 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -5.334 37.078 -0.762 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -4.236 37.982 -1.279 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -7.594 44.120 -5.285 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -6.978 44.747 -4.906 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -8.456 44.436 -5.014 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 2.437 38.347 -2.417 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 2.657 38.819 -3.220 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 2.995 38.742 -1.746 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 0.521 37.156 -0.644 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 0.174 37.774 0.001 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 1.179 37.657 -1.125 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -3.822 38.219 -3.956 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -3.905 39.108 -3.610 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -2.932 37.954 -3.725 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -1.752 43.015 -5.961 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -1.932 42.861 -6.889 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -0.801 43.123 -5.917 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -7.868 38.474 2.888 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -7.423 37.682 3.190 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -7.402 39.190 3.319 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -9.564 41.473 3.957 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -9.072 41.252 3.167 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -9.202 42.314 4.238 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -9.287 36.469 6.356 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -9.952 36.223 6.999 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -9.730 37.091 5.779 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -2.231 35.903 0.000 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -1.357 36.291 -0.030 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -2.367 35.688 0.923 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 3.326 35.933 1.649 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 3.402 36.028 0.700 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 3.050 35.025 1.778 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 4.679 35.959 -2.658 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 3.976 36.573 -2.868 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 4.234 35.121 -2.527 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -1.087 37.983 -3.110 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -0.909 37.337 -2.427 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -1.141 38.817 -2.643 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 9.979 -9.919 25.692 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 9.478 -9.947 24.877 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 9.985 -10.825 26.002 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 9.730 -7.139 22.576 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 10.676 -7.283 22.557 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 9.617 -6.355 23.113 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 12.974 -4.338 18.721 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 13.126 -4.686 19.600 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 12.123 -4.694 18.466 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 10.140 -12.367 26.894 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 10.363 -12.785 27.726 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 9.538 -12.980 26.472 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 11.425 -5.809 24.887 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 11.642 -6.741 24.856 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 11.672 -5.535 25.771 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 11.347 -6.535 17.910 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 10.515 -6.062 17.937 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 11.893 -6.025 17.311 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 10.636 -3.922 29.240 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 11.176 -4.139 29.999 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 10.155 -4.728 29.050 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 9.219 -2.833 18.456 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 8.572 -3.295 17.923 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 9.574 -3.505 19.039 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 10.089 -4.752 20.261 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 9.755 -5.633 20.433 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 10.311 -4.407 21.125 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 10.169 -11.677 22.712 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 10.353 -11.759 21.777 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 11.018 -11.801 23.136 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 9.292 -15.095 22.813 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 9.784 -15.316 22.023 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 9.654 -14.254 23.094 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 12.117 -2.693 25.662 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 11.397 -2.253 25.211 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 11.751 -2.944 26.511 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 11.532 -4.070 22.573 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 11.513 -4.495 23.430 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 12.337 -4.388 22.164 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 13.673 -5.360 21.228 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 13.454 -6.276 21.397 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 14.497 -5.220 21.694 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 13.552 0.521 24.500 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 13.333 1.051 23.734 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 12.884 0.748 25.148 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 9.296 1.132 19.543 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 9.927 1.103 20.263 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 9.746 0.707 18.813 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 11.774 1.242 26.452 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 10.881 1.581 26.385 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 11.675 0.387 26.870 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 12.417 -1.619 21.749 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 12.188 -1.560 20.822 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 11.974 -2.411 22.056 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 9.767 2.450 28.853 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 10.686 2.328 29.089 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 9.317 1.700 29.242 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 10.988 0.762 21.744 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 11.433 -0.030 22.046 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 11.454 1.478 22.175 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 9.292 3.761 22.813 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 9.784 3.540 22.023 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 9.654 4.602 23.094 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 9.605 0.019 16.868 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 8.680 0.228 16.738 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 10.059 0.503 16.178 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 12.045 -1.736 19.043 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 11.268 -1.970 18.535 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 12.576 -2.533 19.051 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 12.003 -1.222 28.560 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 11.637 -1.987 29.003 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 12.916 -1.193 28.847 0.00 0.00 WAT1 END