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 13:35:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.609 -21.229 32.949 1.00 21.30 ATOM 2 CB MET 1 5.674 -20.759 32.638 1.00 53.41 ATOM 3 HB1 MET 1 5.892 -21.737 32.231 1.00 37.52 ATOM 4 HB2 MET 1 5.889 -20.774 33.699 1.00 10.22 ATOM 5 CG MET 1 6.584 -19.729 31.989 1.00 63.14 ATOM 6 HG1 MET 1 7.505 -19.695 32.553 1.00 37.52 ATOM 7 HG2 MET 1 6.131 -18.751 32.009 1.00 4.52 ATOM 8 SD MET 1 6.992 -20.141 30.281 1.00 23.23 ATOM 9 CE MET 1 7.146 -18.506 29.566 1.00 63.41 ATOM 10 HE1 MET 1 7.395 -18.593 28.519 1.00 52.20 ATOM 11 HE2 MET 1 7.926 -17.962 30.077 1.00 22.15 ATOM 12 HE3 MET 1 6.210 -17.977 29.671 1.00 11.01 ATOM 13 C MET 1 3.838 -19.113 33.062 1.00 1.35 ATOM 14 O MET 1 4.623 -18.546 33.821 1.00 44.41 ATOM 15 N MET 1 3.840 -20.495 31.030 1.00 12.34 ATOM 16 HT1 MET 1 4.169 -19.633 30.546 1.00 37.52 ATOM 17 HT2 MET 1 2.810 -20.563 30.917 1.00 37.52 ATOM 18 HT3 MET 1 4.270 -21.323 30.563 1.00 37.52 ATOM 19 CA MET 1 4.184 -20.465 32.447 1.00 5.21 ATOM 20 N GLY 2 2.657 -18.601 32.730 1.00 33.11 ATOM 21 HN GLY 2 2.050 -19.093 32.137 1.00 37.52 ATOM 22 CA GLY 2 2.228 -17.319 33.259 1.00 60.42 ATOM 23 HA1 GLY 2 2.690 -17.140 34.223 1.00 37.52 ATOM 24 HA2 GLY 2 1.157 -17.353 33.402 1.00 70.45 ATOM 25 C GLY 2 2.569 -16.168 32.334 1.00 15.40 ATOM 26 O GLY 2 3.732 -15.784 32.210 1.00 22.15 ATOM 27 N HIS 3 1.551 -15.615 31.681 1.00 44.34 ATOM 28 HN HIS 3 0.637 -15.956 31.817 1.00 37.52 ATOM 29 CA HIS 3 1.749 -14.500 30.761 1.00 61.02 ATOM 30 HA HIS 3 2.812 -14.289 30.695 1.00 20.33 ATOM 31 CB HIS 3 1.243 -14.867 29.365 1.00 10.25 ATOM 32 HB1 HIS 3 0.161 -14.876 29.358 1.00 37.52 ATOM 33 HB2 HIS 3 1.603 -15.854 29.111 1.00 33.11 ATOM 34 CG HIS 3 1.707 -13.928 28.294 1.00 32.52 ATOM 35 ND1 HIS 3 0.968 -13.654 27.162 1.00 25.44 ATOM 36 HD1 HIS 3 0.090 -14.032 26.946 1.00 74.44 ATOM 37 CD2 HIS 3 2.841 -13.198 28.188 1.00 41.41 ATOM 38 HD2 HIS 3 3.652 -13.167 28.902 1.00 15.05 ATOM 39 CE1 HIS 3 1.629 -12.797 26.405 1.00 3.13 ATOM 40 HE1 HIS 3 1.294 -12.402 25.457 1.00 23.15 ATOM 41 NE2 HIS 3 2.769 -12.503 27.005 1.00 32.33 ATOM 42 HE2 HIS 3 3.402 -11.816 26.709 1.00 37.52 ATOM 43 C HIS 3 1.034 -13.249 31.262 1.00 51.13 ATOM 44 O HIS 3 -0.195 -13.173 31.240 1.00 71.21 ATOM 45 N HIS 4 1.811 -12.270 31.713 1.00 0.44 ATOM 46 HN HIS 4 2.792 -12.380 31.694 1.00 37.52 ATOM 47 CA HIS 4 1.251 -11.022 32.220 1.00 5.52 ATOM 48 HA HIS 4 0.308 -11.242 32.711 1.00 1.24 ATOM 49 CB HIS 4 2.194 -10.396 33.249 1.00 71.11 ATOM 50 HB1 HIS 4 2.493 -11.152 33.961 1.00 37.52 ATOM 51 HB2 HIS 4 1.674 -9.605 33.769 1.00 50.42 ATOM 52 CG HIS 4 3.434 -9.811 32.647 1.00 24.11 ATOM 53 ND1 HIS 4 4.664 -10.432 32.705 1.00 21.21 ATOM 54 HD1 HIS 4 4.850 -11.294 33.133 1.00 73.04 ATOM 55 CD2 HIS 4 3.630 -8.655 31.970 1.00 32.24 ATOM 56 HD2 HIS 4 2.878 -7.914 31.736 1.00 12.43 ATOM 57 CE1 HIS 4 5.563 -9.683 32.092 1.00 53.23 ATOM 58 HE1 HIS 4 6.611 -9.918 31.981 1.00 30.24 ATOM 59 NE2 HIS 4 4.961 -8.599 31.636 1.00 14.04 ATOM 60 HE2 HIS 4 5.413 -7.833 31.225 1.00 37.52 ATOM 61 C HIS 4 0.997 -10.038 31.082 1.00 63.24 ATOM 62 O HIS 4 1.740 -10.003 30.100 1.00 23.51 ATOM 63 N HIS 5 -0.057 -9.241 31.219 1.00 54.01 ATOM 64 HN HIS 5 -0.626 -9.320 32.021 1.00 37.52 ATOM 65 CA HIS 5 -0.410 -8.257 30.201 1.00 24.04 ATOM 66 HA HIS 5 0.449 -8.091 29.559 1.00 35.33 ATOM 67 CB HIS 5 -1.563 -8.773 29.341 1.00 52.23 ATOM 68 HB1 HIS 5 -2.397 -9.022 29.981 1.00 37.52 ATOM 69 HB2 HIS 5 -1.242 -9.660 28.816 1.00 54.13 ATOM 70 CG HIS 5 -2.040 -7.783 28.323 1.00 14.11 ATOM 71 ND1 HIS 5 -3.175 -7.017 28.492 1.00 21.50 ATOM 72 HD1 HIS 5 -3.770 -7.039 29.270 1.00 52.34 ATOM 73 CD2 HIS 5 -1.529 -7.434 27.120 1.00 43.15 ATOM 74 HD2 HIS 5 -0.636 -7.836 26.663 1.00 62.41 ATOM 75 CE1 HIS 5 -3.341 -6.242 27.436 1.00 54.23 ATOM 76 HE1 HIS 5 -4.145 -5.536 27.291 1.00 2.34 ATOM 77 NE2 HIS 5 -2.355 -6.475 26.588 1.00 15.11 ATOM 78 HE2 HIS 5 -2.181 -5.964 25.770 1.00 37.52 ATOM 79 C HIS 5 -0.793 -6.926 30.842 1.00 23.30 ATOM 80 O HIS 5 -1.447 -6.893 31.885 1.00 70.22 ATOM 81 N HIS 6 -0.380 -5.831 30.212 1.00 73.13 ATOM 82 HN HIS 6 0.153 -5.916 29.386 1.00 37.52 ATOM 83 CA HIS 6 -0.680 -4.497 30.721 1.00 73.44 ATOM 84 HA HIS 6 -1.535 -4.555 31.387 1.00 33.43 ATOM 85 CB HIS 6 0.519 -3.940 31.488 1.00 13.22 ATOM 86 HB1 HIS 6 0.507 -2.858 31.470 1.00 37.52 ATOM 87 HB2 HIS 6 1.432 -4.283 31.020 1.00 41.24 ATOM 88 CG HIS 6 0.555 -4.356 32.927 1.00 50.34 ATOM 89 ND1 HIS 6 -0.515 -4.199 33.783 1.00 63.05 ATOM 90 HD1 HIS 6 -1.384 -3.811 33.549 1.00 22.33 ATOM 91 CD2 HIS 6 1.540 -4.927 33.658 1.00 31.14 ATOM 92 HD2 HIS 6 2.526 -5.195 33.306 1.00 52.52 ATOM 93 CE1 HIS 6 -0.189 -4.654 34.979 1.00 63.40 ATOM 94 HE1 HIS 6 -0.829 -4.660 35.849 1.00 30.50 ATOM 95 NE2 HIS 6 1.053 -5.102 34.930 1.00 31.33 ATOM 96 HE2 HIS 6 1.511 -5.578 35.654 1.00 37.52 ATOM 97 C HIS 6 -1.054 -3.553 29.582 1.00 34.02 ATOM 98 O HIS 6 -1.001 -3.926 28.410 1.00 52.23 ATOM 99 N HIS 7 -1.434 -2.329 29.935 1.00 4.15 ATOM 100 HN HIS 7 -1.443 -2.084 30.889 1.00 37.52 ATOM 101 CA HIS 7 -1.817 -1.331 28.943 1.00 21.01 ATOM 102 HA HIS 7 -2.036 -1.826 28.004 1.00 1.41 ATOM 103 CB HIS 7 -3.075 -0.589 29.395 1.00 73.24 ATOM 104 HB1 HIS 7 -3.881 -1.302 29.492 1.00 37.52 ATOM 105 HB2 HIS 7 -3.352 0.150 28.659 1.00 52.22 ATOM 106 CG HIS 7 -2.921 0.105 30.713 1.00 71.41 ATOM 107 ND1 HIS 7 -3.474 -0.371 31.883 1.00 54.00 ATOM 108 HD1 HIS 7 -4.010 -1.187 31.973 1.00 1.34 ATOM 109 CD2 HIS 7 -2.269 1.244 31.043 1.00 54.23 ATOM 110 HD2 HIS 7 -1.716 1.884 30.370 1.00 74.42 ATOM 111 CE1 HIS 7 -3.171 0.447 32.875 1.00 33.01 ATOM 112 HE1 HIS 7 -3.469 0.327 33.906 1.00 55.40 ATOM 113 NE2 HIS 7 -2.440 1.435 32.392 1.00 51.12 ATOM 114 HE2 HIS 7 -2.002 2.128 32.929 1.00 37.52 ATOM 115 C HIS 7 -0.684 -0.337 28.706 1.00 23.32 ATOM 116 O HIS 7 0.394 -0.458 29.290 1.00 12.22 ATOM 117 N HIS 8 -0.934 0.644 27.845 1.00 0.12 ATOM 118 HN HIS 8 -1.795 0.676 27.374 1.00 37.52 ATOM 119 CA HIS 8 0.066 1.659 27.531 1.00 74.21 ATOM 120 HA HIS 8 0.918 1.531 28.190 1.00 33.50 ATOM 121 CB HIS 8 0.532 1.514 26.082 1.00 21.11 ATOM 122 HB1 HIS 8 -0.164 2.010 25.416 1.00 37.52 ATOM 123 HB2 HIS 8 0.567 0.463 25.828 1.00 64.01 ATOM 124 CG HIS 8 1.896 2.081 25.832 1.00 34.13 ATOM 125 ND1 HIS 8 2.402 3.158 26.529 1.00 22.42 ATOM 126 HD1 HIS 8 1.951 3.652 27.237 1.00 2.52 ATOM 127 CD2 HIS 8 2.861 1.713 24.957 1.00 14.41 ATOM 128 HD2 HIS 8 2.807 0.899 24.248 1.00 70.00 ATOM 129 CE1 HIS 8 3.619 3.429 26.092 1.00 21.12 ATOM 130 HE1 HIS 8 4.259 4.220 26.454 1.00 12.22 ATOM 131 NE2 HIS 8 3.921 2.567 25.138 1.00 22.44 ATOM 132 HE2 HIS 8 4.797 2.486 24.707 1.00 37.52 ATOM 133 C HIS 8 -0.492 3.060 27.760 1.00 11.35 ATOM 134 O HIS 8 0.124 3.880 28.442 1.00 53.15 ATOM 135 N SER 9 -1.661 3.328 27.187 1.00 41.21 ATOM 136 HN SER 9 -2.100 2.640 26.634 1.00 37.52 ATOM 137 CA SER 9 -2.299 4.632 27.325 1.00 33.12 ATOM 138 HA SER 9 -2.125 4.992 28.334 1.00 25.05 ATOM 139 CB SER 9 -1.690 5.629 26.338 1.00 72.15 ATOM 140 HB1 SER 9 -1.945 6.633 26.641 1.00 37.52 ATOM 141 HB2 SER 9 -2.073 5.445 25.342 1.00 24.12 ATOM 142 OG SER 9 -0.279 5.511 26.299 1.00 64.44 ATOM 143 HG SER 9 0.090 6.241 25.796 1.00 72.11 ATOM 144 C SER 9 -3.804 4.527 27.097 1.00 71.14 ATOM 145 O SER 9 -4.263 3.764 26.245 1.00 3.34 ATOM 146 N HIS 10 -4.568 5.299 27.863 1.00 31.32 ATOM 147 HN HIS 10 -4.148 5.893 28.529 1.00 37.52 ATOM 148 CA HIS 10 -6.022 5.294 27.745 1.00 61.12 ATOM 149 HA HIS 10 -6.309 4.747 26.855 1.00 13.11 ATOM 150 CB HIS 10 -6.651 4.608 28.958 1.00 52.41 ATOM 151 HB1 HIS 10 -6.464 3.546 28.886 1.00 37.52 ATOM 152 HB2 HIS 10 -7.721 4.771 28.966 1.00 33.34 ATOM 153 CG HIS 10 -6.098 5.081 30.267 1.00 11.30 ATOM 154 ND1 HIS 10 -6.431 6.295 30.830 1.00 14.04 ATOM 155 HD1 HIS 10 -7.044 6.956 30.445 1.00 50.54 ATOM 156 CD2 HIS 10 -5.231 4.495 31.125 1.00 10.34 ATOM 157 HD2 HIS 10 -4.763 3.528 31.003 1.00 61.12 ATOM 158 CE1 HIS 10 -5.792 6.436 31.978 1.00 61.23 ATOM 159 HE1 HIS 10 -5.860 7.287 32.639 1.00 15.14 ATOM 160 NE2 HIS 10 -5.057 5.357 32.180 1.00 0.12 ATOM 161 HE2 HIS 10 -4.414 5.240 32.910 1.00 37.52 ATOM 162 C HIS 10 -6.561 6.715 27.612 1.00 2.14 ATOM 163 O HIS 10 -7.576 7.062 28.214 1.00 15.43 ATOM 164 N MET 11 -5.873 7.532 26.822 1.00 51.35 ATOM 165 HN MET 11 -5.082 7.190 26.349 1.00 37.52 ATOM 166 CA MET 11 -6.284 8.916 26.610 1.00 23.34 ATOM 167 HA MET 11 -6.812 9.261 27.494 1.00 33.32 ATOM 168 CB MET 11 -5.058 9.809 26.409 1.00 70.21 ATOM 169 HB1 MET 11 -4.404 9.676 27.261 1.00 37.52 ATOM 170 HB2 MET 11 -5.379 10.841 26.371 1.00 54.40 ATOM 171 CG MET 11 -4.284 9.501 25.137 1.00 31.23 ATOM 172 HG1 MET 11 -4.768 10.002 24.312 1.00 37.52 ATOM 173 HG2 MET 11 -4.284 8.437 24.955 1.00 44.23 ATOM 174 SD MET 11 -2.571 10.058 25.214 1.00 12.54 ATOM 175 CE MET 11 -1.881 9.232 23.783 1.00 54.43 ATOM 176 HE1 MET 11 -2.401 9.557 22.894 1.00 1.43 ATOM 177 HE2 MET 11 -1.993 8.164 23.895 1.00 54.01 ATOM 178 HE3 MET 11 -0.833 9.477 23.697 1.00 22.50 ATOM 179 C MET 11 -7.213 9.029 25.406 1.00 14.14 ATOM 180 O MET 11 -7.044 8.325 24.412 1.00 75.24 ATOM 181 N ALA 12 -8.195 9.920 25.504 1.00 31.53 ATOM 182 HN ALA 12 -8.283 10.463 26.321 1.00 37.52 ATOM 183 CA ALA 12 -9.150 10.126 24.423 1.00 71.34 ATOM 184 HA ALA 12 -8.971 9.390 23.645 1.00 71.33 ATOM 185 CB ALA 12 -10.570 9.906 24.923 1.00 11.32 ATOM 186 HB1 ALA 12 -10.651 8.915 25.344 1.00 12.04 ATOM 187 HB2 ALA 12 -11.265 10.003 24.101 1.00 60.14 ATOM 188 HB3 ALA 12 -10.806 10.638 25.683 1.00 61.03 ATOM 189 C ALA 12 -9.008 11.521 23.823 1.00 30.33 ATOM 190 O ALA 12 -9.190 12.525 24.512 1.00 55.25 ATOM 191 N LYS 13 -8.681 11.576 22.537 1.00 44.32 ATOM 192 HN LYS 13 -8.547 10.736 22.036 1.00 37.52 ATOM 193 CA LYS 13 -8.514 12.848 21.843 1.00 12.14 ATOM 194 HA LYS 13 -7.718 13.375 22.344 1.00 13.15 ATOM 195 CB LYS 13 -8.141 12.609 20.379 1.00 74.15 ATOM 196 HB1 LYS 13 -8.422 13.462 19.775 1.00 37.52 ATOM 197 HB2 LYS 13 -8.689 11.748 20.021 1.00 53.14 ATOM 198 CG LYS 13 -6.663 12.337 20.164 1.00 64.11 ATOM 199 HG1 LYS 13 -6.517 11.972 19.156 1.00 37.52 ATOM 200 HG2 LYS 13 -6.340 11.578 20.865 1.00 23.12 ATOM 201 CD LYS 13 -5.828 13.588 20.382 1.00 71.12 ATOM 202 HD1 LYS 13 -4.813 13.279 20.589 1.00 37.52 ATOM 203 HD2 LYS 13 -6.191 14.152 21.220 1.00 32.12 ATOM 204 CE LYS 13 -5.812 14.470 19.143 1.00 61.03 ATOM 205 HE1 LYS 13 -5.510 15.465 19.437 1.00 37.52 ATOM 206 HE2 LYS 13 -6.804 14.514 18.713 1.00 33.33 ATOM 207 NZ LYS 13 -4.858 13.967 18.116 1.00 23.22 ATOM 208 HZ1 LYS 13 -4.865 14.597 17.288 1.00 64.04 ATOM 209 HZ2 LYS 13 -5.127 13.010 17.808 1.00 31.15 ATOM 210 HZ3 LYS 13 -3.892 13.936 18.503 1.00 35.43 ATOM 211 C LYS 13 -9.788 13.683 21.925 1.00 51.01 ATOM 212 O LYS 13 -10.882 13.169 22.161 1.00 42.11 ATOM 213 N PRO 14 -9.646 15.002 21.724 1.00 35.40 ATOM 214 CA PRO 14 -10.776 15.935 21.768 1.00 70.10 ATOM 215 HA PRO 14 -11.333 15.841 22.689 1.00 14.31 ATOM 216 CB PRO 14 -10.103 17.309 21.713 1.00 73.20 ATOM 217 HB1 PRO 14 -9.951 17.672 22.719 1.00 37.52 ATOM 218 HB2 PRO 14 -10.713 18.017 21.164 1.00 43.44 ATOM 219 CG PRO 14 -8.801 17.066 21.032 1.00 61.13 ATOM 220 HG1 PRO 14 -8.074 17.794 21.359 1.00 37.52 ATOM 221 HG2 PRO 14 -8.931 17.119 19.961 1.00 43.14 ATOM 222 CD PRO 14 -8.373 15.683 21.438 1.00 63.10 ATOM 223 HD1 PRO 14 -7.740 15.716 22.312 1.00 37.52 ATOM 224 HD2 PRO 14 -7.871 15.233 20.622 1.00 22.13 ATOM 225 C PRO 14 -11.721 15.757 20.585 1.00 74.02 ATOM 226 O PRO 14 -11.434 15.003 19.655 1.00 72.34 ATOM 227 N THR 15 -12.851 16.457 20.625 1.00 32.43 ATOM 228 HN THR 15 -13.036 17.040 21.398 1.00 37.52 ATOM 229 CA THR 15 -13.839 16.375 19.557 1.00 12.31 ATOM 230 HA THR 15 -13.384 15.891 18.696 1.00 14.11 ATOM 231 CB THR 15 -15.062 15.542 19.985 1.00 12.53 ATOM 232 HB THR 15 -15.665 16.121 20.674 1.00 54.22 ATOM 233 OG1 THR 15 -14.634 14.349 20.650 1.00 63.43 ATOM 234 HG1 THR 15 -14.080 13.809 20.071 1.00 34.53 ATOM 235 CG2 THR 15 -15.918 15.179 18.781 1.00 11.42 ATOM 236 HG21 THR 15 -15.323 14.634 18.062 1.00 22.22 ATOM 237 HG22 THR 15 -16.303 16.078 18.323 1.00 44.01 ATOM 238 HG23 THR 15 -16.743 14.561 19.103 1.00 42.41 ATOM 239 C THR 15 -14.307 17.763 19.134 1.00 43.13 ATOM 240 O THR 15 -14.465 18.656 19.966 1.00 71.41 ATOM 241 N ALA 16 -14.527 17.938 17.835 1.00 65.43 ATOM 242 HN ALA 16 -14.393 17.186 17.211 1.00 37.52 ATOM 243 CA ALA 16 -14.979 19.217 17.302 1.00 62.45 ATOM 244 HA ALA 16 -14.911 19.975 18.074 1.00 75.40 ATOM 245 CB ALA 16 -14.082 19.657 16.154 1.00 71.32 ATOM 246 HB1 ALA 16 -14.185 18.970 15.325 1.00 71.10 ATOM 247 HB2 ALA 16 -13.055 19.661 16.487 1.00 40.30 ATOM 248 HB3 ALA 16 -14.356 20.651 15.835 1.00 43.53 ATOM 249 C ALA 16 -16.430 19.137 16.841 1.00 73.12 ATOM 250 O ALA 16 -17.069 18.090 16.949 1.00 12.22 ATOM 251 N ARG 17 -16.945 20.249 16.327 1.00 12.34 ATOM 252 HN ARG 17 -16.401 21.070 16.292 1.00 37.52 ATOM 253 CA ARG 17 -18.322 20.305 15.852 1.00 13.31 ATOM 254 HA ARG 17 -18.639 19.300 15.585 1.00 53.35 ATOM 255 CB ARG 17 -19.242 20.839 16.952 1.00 74.04 ATOM 256 HB1 ARG 17 -20.173 21.178 16.512 1.00 37.52 ATOM 257 HB2 ARG 17 -18.757 21.681 17.429 1.00 74.43 ATOM 258 CG ARG 17 -19.583 19.808 18.015 1.00 63.41 ATOM 259 HG1 ARG 17 -18.674 19.347 18.371 1.00 37.52 ATOM 260 HG2 ARG 17 -20.223 19.055 17.581 1.00 60.05 ATOM 261 CD ARG 17 -20.301 20.441 19.196 1.00 54.22 ATOM 262 HD1 ARG 17 -20.742 19.660 19.799 1.00 37.52 ATOM 263 HD2 ARG 17 -21.093 21.080 18.823 1.00 44.55 ATOM 264 NE ARG 17 -19.401 21.246 20.017 1.00 24.52 ATOM 265 HE ARG 17 -19.433 22.221 19.899 1.00 35.14 ATOM 266 CZ ARG 17 -18.555 20.729 20.902 1.00 14.44 ATOM 267 NH1 ARG 17 -18.495 19.417 21.080 1.00 74.25 ATOM 268 HH11 ARG 17 -19.071 18.791 20.561 1.00 12.52 ATOM 269 HH12 ARG 17 -17.855 19.039 21.753 1.00 72.51 ATOM 270 NH2 ARG 17 -17.767 21.527 21.612 1.00 35.34 ATOM 271 HH21 ARG 17 -17.808 22.520 21.483 1.00 23.35 ATOM 272 HH22 ARG 17 -17.128 21.140 22.280 1.00 0.54 ATOM 273 C ARG 17 -18.433 21.184 14.610 1.00 54.32 ATOM 274 O ARG 17 -17.893 22.289 14.568 1.00 31.20 ATOM 275 N GLY 18 -19.138 20.685 13.599 1.00 51.13 ATOM 276 HN GLY 18 -19.554 19.797 13.678 1.00 37.52 ATOM 277 CA GLY 18 -19.307 21.437 12.369 1.00 3.42 ATOM 278 HA1 GLY 18 -19.306 20.737 11.546 1.00 37.52 ATOM 279 HA2 GLY 18 -18.477 22.121 12.230 1.00 71.24 ATOM 280 C GLY 18 -20.613 22.205 12.334 1.00 40.50 ATOM 281 O GLY 18 -21.688 21.619 12.456 1.00 1.34 ATOM 282 N GLU 19 -20.520 23.521 12.168 1.00 41.22 ATOM 283 HN GLU 19 -19.634 23.941 12.064 1.00 37.52 ATOM 284 CA GLU 19 -21.705 24.370 12.120 1.00 44.02 ATOM 285 HA GLU 19 -22.566 23.779 12.419 1.00 33.10 ATOM 286 CB GLU 19 -21.560 25.542 13.093 1.00 24.42 ATOM 287 HB1 GLU 19 -20.994 26.339 12.626 1.00 37.52 ATOM 288 HB2 GLU 19 -21.013 25.196 13.962 1.00 13.24 ATOM 289 CG GLU 19 -22.888 26.111 13.563 1.00 62.40 ATOM 290 HG1 GLU 19 -23.573 25.297 13.765 1.00 37.52 ATOM 291 HG2 GLU 19 -23.294 26.733 12.780 1.00 73.31 ATOM 292 CD GLU 19 -22.752 26.948 14.820 1.00 41.45 ATOM 293 OE1 GLU 19 -21.905 27.866 14.831 1.00 51.41 ATOM 294 OE2 GLU 19 -23.491 26.686 15.791 1.00 53.41 ATOM 295 C GLU 19 -21.941 24.895 10.707 1.00 42.05 ATOM 296 O GLU 19 -21.010 25.338 10.034 1.00 72.10 ATOM 297 N ALA 20 -23.192 24.841 10.263 1.00 15.11 ATOM 298 HN ALA 20 -23.896 24.467 10.845 1.00 37.52 ATOM 299 CA ALA 20 -23.552 25.312 8.931 1.00 31.14 ATOM 300 HA ALA 20 -23.118 26.296 8.790 1.00 24.12 ATOM 301 CB ALA 20 -22.974 24.387 7.871 1.00 44.24 ATOM 302 HB1 ALA 20 -21.926 24.607 7.736 1.00 34.02 ATOM 303 HB2 ALA 20 -23.493 24.525 6.937 1.00 44.45 ATOM 304 HB3 ALA 20 -23.084 23.360 8.188 1.00 61.13 ATOM 305 C ALA 20 -25.065 25.417 8.776 1.00 35.32 ATOM 306 O ALA 20 -25.816 24.657 9.386 1.00 21.54 ATOM 307 N GLY 21 -25.508 26.365 7.955 1.00 24.15 ATOM 308 HN GLY 21 -24.862 26.955 7.498 1.00 37.52 ATOM 309 CA GLY 21 -26.930 26.552 7.736 1.00 42.01 ATOM 310 HA1 GLY 21 -27.333 27.134 8.551 1.00 37.52 ATOM 311 HA2 GLY 21 -27.426 25.588 7.716 1.00 42.44 ATOM 312 C GLY 21 -27.226 27.269 6.434 1.00 71.35 ATOM 313 O GLY 21 -28.132 28.099 6.366 1.00 1.54 ATOM 314 N SER 22 -26.460 26.948 5.396 1.00 44.21 ATOM 315 HN SER 22 -25.757 26.269 5.500 1.00 37.52 ATOM 316 CA SER 22 -26.641 27.572 4.090 1.00 30.42 ATOM 317 HA SER 22 -27.630 28.015 4.042 1.00 54.14 ATOM 318 CB SER 22 -25.603 28.676 3.880 1.00 30.31 ATOM 319 HB1 SER 22 -24.628 28.284 4.078 1.00 37.52 ATOM 320 HB2 SER 22 -25.807 29.491 4.558 1.00 1.32 ATOM 321 OG SER 22 -25.645 29.169 2.552 1.00 12.44 ATOM 322 HG SER 22 -24.825 28.957 2.097 1.00 71.33 ATOM 323 C SER 22 -26.532 26.537 2.974 1.00 34.24 ATOM 324 O SER 22 -25.921 25.482 3.148 1.00 13.41 ATOM 325 N ARG 23 -27.130 26.847 1.829 1.00 72.35 ATOM 326 HN ARG 23 -27.604 27.710 1.751 1.00 37.52 ATOM 327 CA ARG 23 -27.102 25.944 0.684 1.00 54.11 ATOM 328 HA ARG 23 -27.547 25.010 0.992 1.00 14.45 ATOM 329 CB ARG 23 -27.908 26.532 -0.476 1.00 35.02 ATOM 330 HB1 ARG 23 -27.388 27.397 -0.867 1.00 37.52 ATOM 331 HB2 ARG 23 -28.872 26.852 -0.103 1.00 52.22 ATOM 332 CG ARG 23 -28.130 25.556 -1.620 1.00 11.11 ATOM 333 HG1 ARG 23 -27.189 25.108 -1.905 1.00 37.52 ATOM 334 HG2 ARG 23 -28.534 26.098 -2.463 1.00 70.40 ATOM 335 CD ARG 23 -29.105 24.455 -1.232 1.00 41.31 ATOM 336 HD1 ARG 23 -28.902 24.106 -0.231 1.00 37.52 ATOM 337 HD2 ARG 23 -28.964 23.636 -1.923 1.00 43.14 ATOM 338 NE ARG 23 -30.493 24.901 -1.310 1.00 14.43 ATOM 339 HE ARG 23 -30.662 25.865 -1.425 1.00 51.15 ATOM 340 CZ ARG 23 -31.535 24.080 -1.230 1.00 4.42 ATOM 341 NH1 ARG 23 -31.345 22.778 -1.070 1.00 73.13 ATOM 342 HH11 ARG 23 -30.429 22.388 -1.005 1.00 43.24 ATOM 343 HH12 ARG 23 -32.137 22.166 -1.012 1.00 71.02 ATOM 344 NH2 ARG 23 -32.768 24.562 -1.309 1.00 15.11 ATOM 345 HH21 ARG 23 -32.918 25.546 -1.429 1.00 31.52 ATOM 346 HH22 ARG 23 -33.555 23.945 -1.249 1.00 32.42 ATOM 347 C ARG 23 -25.668 25.677 0.237 1.00 52.03 ATOM 348 O ARG 23 -25.291 24.534 -0.024 1.00 53.42 ATOM 349 N ASP 24 -24.874 26.738 0.150 1.00 2.22 ATOM 350 HN ASP 24 -25.233 27.631 0.367 1.00 37.52 ATOM 351 CA ASP 24 -23.481 26.619 -0.265 1.00 21.22 ATOM 352 HA ASP 24 -23.447 26.043 -1.183 1.00 44.14 ATOM 353 CB ASP 24 -22.883 28.003 -0.523 1.00 70.42 ATOM 354 HB1 ASP 24 -21.807 27.923 -0.625 1.00 37.52 ATOM 355 HB2 ASP 24 -23.112 28.649 0.311 1.00 11.41 ATOM 356 CG ASP 24 -23.427 28.642 -1.786 1.00 30.23 ATOM 357 OD1 ASP 24 -24.381 29.441 -1.683 1.00 11.32 ATOM 358 OD2 ASP 24 -22.898 28.343 -2.877 1.00 12.24 ATOM 359 C ASP 24 -22.660 25.886 0.791 1.00 31.55 ATOM 360 O ASP 24 -21.669 25.228 0.475 1.00 54.24 ATOM 361 N GLU 25 -23.079 26.005 2.047 1.00 33.44 ATOM 362 HN GLU 25 -23.867 26.558 2.250 1.00 37.52 ATOM 363 CA GLU 25 -22.381 25.354 3.150 1.00 11.30 ATOM 364 HA GLU 25 -21.337 25.627 3.091 1.00 54.41 ATOM 365 CB GLU 25 -22.963 25.809 4.490 1.00 5.13 ATOM 366 HB1 GLU 25 -22.750 25.063 5.234 1.00 37.52 ATOM 367 HB2 GLU 25 -24.024 25.916 4.399 1.00 51.13 ATOM 368 CG GLU 25 -22.393 27.128 4.984 1.00 12.35 ATOM 369 HG1 GLU 25 -22.845 27.370 5.935 1.00 37.52 ATOM 370 HG2 GLU 25 -22.628 27.897 4.266 1.00 74.25 ATOM 371 CD GLU 25 -20.887 27.086 5.157 1.00 72.31 ATOM 372 OE1 GLU 25 -20.210 28.025 4.689 1.00 53.14 ATOM 373 OE2 GLU 25 -20.386 26.114 5.759 1.00 23.33 ATOM 374 C GLU 25 -22.473 23.836 3.032 1.00 33.42 ATOM 375 O GLU 25 -21.483 23.127 3.214 1.00 40.13 ATOM 376 N ARG 26 -23.670 23.343 2.728 1.00 44.31 ATOM 377 HN ARG 26 -24.432 23.959 2.606 1.00 37.52 ATOM 378 CA ARG 26 -23.893 21.909 2.588 1.00 45.34 ATOM 379 HA ARG 26 -23.719 21.444 3.545 1.00 74.01 ATOM 380 CB ARG 26 -25.335 21.636 2.157 1.00 63.50 ATOM 381 HB1 ARG 26 -25.441 20.591 1.883 1.00 37.52 ATOM 382 HB2 ARG 26 -25.552 22.244 1.290 1.00 0.32 ATOM 383 CG ARG 26 -26.363 21.964 3.227 1.00 3.22 ATOM 384 HG1 ARG 26 -27.322 22.109 2.749 1.00 37.52 ATOM 385 HG2 ARG 26 -26.078 22.873 3.740 1.00 33.10 ATOM 386 CD ARG 26 -26.487 20.841 4.244 1.00 20.52 ATOM 387 HD1 ARG 26 -25.648 20.897 4.923 1.00 37.52 ATOM 388 HD2 ARG 26 -26.471 19.887 3.730 1.00 31.03 ATOM 389 NE ARG 26 -27.726 20.932 5.012 1.00 3.04 ATOM 390 HE ARG 26 -28.352 21.661 4.794 1.00 4.52 ATOM 391 CZ ARG 26 -28.052 20.087 5.984 1.00 72.23 ATOM 392 NH1 ARG 26 -27.236 19.092 6.304 1.00 42.40 ATOM 393 HH11 ARG 26 -26.369 18.958 5.827 1.00 42.51 ATOM 394 HH12 ARG 26 -27.490 18.459 7.039 1.00 75.04 ATOM 395 NH2 ARG 26 -29.197 20.236 6.637 1.00 34.42 ATOM 396 HH21 ARG 26 -29.819 20.985 6.399 1.00 53.23 ATOM 397 HH22 ARG 26 -29.446 19.600 7.371 1.00 53.03 ATOM 398 C ARG 26 -22.924 21.305 1.575 1.00 55.24 ATOM 399 O ARG 26 -22.385 20.219 1.788 1.00 42.40 ATOM 400 N ARG 27 -22.710 22.016 0.472 1.00 32.30 ATOM 401 HN ARG 27 -23.161 22.885 0.361 1.00 37.52 ATOM 402 CA ARG 27 -21.809 21.549 -0.575 1.00 30.14 ATOM 403 HA ARG 27 -22.104 20.546 -0.854 1.00 1.52 ATOM 404 CB ARG 27 -21.913 22.451 -1.806 1.00 24.31 ATOM 405 HB1 ARG 27 -21.270 22.067 -2.562 1.00 37.52 ATOM 406 HB2 ARG 27 -21.587 23.448 -1.541 1.00 52.21 ATOM 407 CG ARG 27 -23.320 22.552 -2.370 1.00 14.21 ATOM 408 HG1 ARG 27 -23.357 23.399 -3.039 1.00 37.52 ATOM 409 HG2 ARG 27 -24.028 22.706 -1.571 1.00 32.31 ATOM 410 CD ARG 27 -23.698 21.305 -3.153 1.00 61.23 ATOM 411 HD1 ARG 27 -22.816 20.891 -3.626 1.00 37.52 ATOM 412 HD2 ARG 27 -24.405 21.582 -3.923 1.00 33.51 ATOM 413 NE ARG 27 -24.296 20.282 -2.299 1.00 53.33 ATOM 414 HE ARG 27 -23.762 19.477 -2.119 1.00 73.24 ATOM 415 CZ ARG 27 -25.507 20.388 -1.764 1.00 54.41 ATOM 416 NH1 ARG 27 -26.245 21.466 -1.994 1.00 33.31 ATOM 417 HH11 ARG 27 -25.924 22.212 -2.568 1.00 30.00 ATOM 418 HH12 ARG 27 -27.155 21.536 -1.579 1.00 35.44 ATOM 419 NH2 ARG 27 -25.983 19.415 -0.997 1.00 41.35 ATOM 420 HH21 ARG 27 -25.431 18.598 -0.819 1.00 64.42 ATOM 421 HH22 ARG 27 -26.896 19.493 -0.592 1.00 52.11 ATOM 422 C ARG 27 -20.367 21.515 -0.076 1.00 35.05 ATOM 423 O ARG 27 -19.550 20.735 -0.562 1.00 62.25 ATOM 424 N ALA 28 -20.064 22.367 0.898 1.00 24.02 ATOM 425 HN ALA 28 -20.742 22.988 1.230 1.00 37.52 ATOM 426 CA ALA 28 -18.722 22.433 1.464 1.00 0.50 ATOM 427 HA ALA 28 -18.004 22.420 0.652 1.00 73.24 ATOM 428 CB ALA 28 -18.535 23.737 2.227 1.00 62.35 ATOM 429 HB1 ALA 28 -17.496 23.849 2.497 1.00 13.51 ATOM 430 HB2 ALA 28 -19.139 23.738 3.121 1.00 15.11 ATOM 431 HB3 ALA 28 -18.830 24.559 1.596 1.00 60.02 ATOM 432 C ALA 28 -18.451 21.241 2.376 1.00 41.45 ATOM 433 O ALA 28 -17.536 20.454 2.130 1.00 42.41 ATOM 434 N LEU 29 -19.251 21.114 3.428 1.00 22.05 ATOM 435 HN LEU 29 -19.944 21.796 3.578 1.00 37.52 ATOM 436 CA LEU 29 -19.097 20.017 4.378 1.00 4.31 ATOM 437 HA LEU 29 -18.103 20.074 4.800 1.00 31.04 ATOM 438 CB LEU 29 -20.119 20.148 5.508 1.00 20.14 ATOM 439 HB1 LEU 29 -19.763 20.935 6.161 1.00 37.52 ATOM 440 HB2 LEU 29 -20.112 19.226 6.084 1.00 32.44 ATOM 441 CG LEU 29 -21.551 20.473 5.084 1.00 54.24 ATOM 442 HG LEU 29 -21.606 20.616 4.019 1.00 70.24 ATOM 443 CD1 LEU 29 -22.483 19.320 5.422 1.00 54.10 ATOM 444 HD11 LEU 29 -23.486 19.556 5.094 1.00 54.53 ATOM 445 HD12 LEU 29 -22.485 19.152 6.490 1.00 2.40 ATOM 446 HD13 LEU 29 -22.147 18.423 4.919 1.00 45.31 ATOM 447 CD2 LEU 29 -22.026 21.757 5.748 1.00 40.53 ATOM 448 HD21 LEU 29 -21.341 22.561 5.523 1.00 20.14 ATOM 449 HD22 LEU 29 -22.064 21.617 6.820 1.00 61.33 ATOM 450 HD23 LEU 29 -23.009 22.015 5.390 1.00 1.04 ATOM 451 C LEU 29 -19.259 18.669 3.684 1.00 63.13 ATOM 452 O LEU 29 -18.726 17.657 4.139 1.00 15.21 ATOM 453 N ALA 30 -19.996 18.664 2.578 1.00 64.53 ATOM 454 HN ALA 30 -20.440 19.489 2.277 1.00 37.52 ATOM 455 CA ALA 30 -20.224 17.441 1.818 1.00 71.31 ATOM 456 HA ALA 30 -20.601 16.684 2.495 1.00 44.50 ATOM 457 CB ALA 30 -21.279 17.674 0.747 1.00 14.20 ATOM 458 HB1 ALA 30 -22.229 17.871 1.218 1.00 52.15 ATOM 459 HB2 ALA 30 -21.370 16.796 0.120 1.00 25.30 ATOM 460 HB3 ALA 30 -20.996 18.522 0.141 1.00 34.04 ATOM 461 C ALA 30 -18.930 16.936 1.188 1.00 54.35 ATOM 462 O ALA 30 -18.710 15.730 1.081 1.00 11.31 ATOM 463 N MET 31 -18.079 17.867 0.771 1.00 44.35 ATOM 464 HN MET 31 -18.302 18.821 0.875 1.00 37.52 ATOM 465 CA MET 31 -16.806 17.516 0.151 1.00 72.22 ATOM 466 HA MET 31 -16.862 16.503 -0.221 1.00 41.52 ATOM 467 CB MET 31 -16.504 18.459 -1.015 1.00 54.31 ATOM 468 HB1 MET 31 -15.501 18.271 -1.381 1.00 37.52 ATOM 469 HB2 MET 31 -16.559 19.477 -0.658 1.00 21.11 ATOM 470 CG MET 31 -17.471 18.315 -2.179 1.00 42.05 ATOM 471 HG1 MET 31 -17.231 19.061 -2.915 1.00 37.52 ATOM 472 HG2 MET 31 -18.480 18.464 -1.826 1.00 64.32 ATOM 473 SD MET 31 -17.362 16.701 -2.976 1.00 54.11 ATOM 474 CE MET 31 -15.828 16.874 -3.883 1.00 62.34 ATOM 475 HE1 MET 31 -15.705 16.034 -4.550 1.00 40.34 ATOM 476 HE2 MET 31 -15.010 16.904 -3.189 1.00 0.43 ATOM 477 HE3 MET 31 -15.856 17.787 -4.453 1.00 31.54 ATOM 478 C MET 31 -15.672 17.569 1.170 1.00 72.33 ATOM 479 O MET 31 -14.535 17.205 0.868 1.00 11.41 ATOM 480 N LYS 32 -15.989 18.024 2.377 1.00 24.12 ATOM 481 HN LYS 32 -16.893 18.318 2.574 1.00 37.52 ATOM 482 CA LYS 32 -14.997 18.124 3.442 1.00 72.23 ATOM 483 HA LYS 32 -15.499 18.474 4.331 1.00 51.43 ATOM 484 CB LYS 32 -14.383 16.751 3.725 1.00 44.21 ATOM 485 HB1 LYS 32 -13.813 16.818 4.641 1.00 37.52 ATOM 486 HB2 LYS 32 -13.714 16.476 2.921 1.00 21.33 ATOM 487 CG LYS 32 -15.412 15.646 3.888 1.00 64.15 ATOM 488 HG1 LYS 32 -15.986 15.562 2.976 1.00 37.52 ATOM 489 HG2 LYS 32 -16.070 15.899 4.706 1.00 4.11 ATOM 490 CD LYS 32 -14.752 14.309 4.184 1.00 52.34 ATOM 491 HD1 LYS 32 -14.366 14.326 5.193 1.00 37.52 ATOM 492 HD2 LYS 32 -13.939 14.146 3.488 1.00 15.31 ATOM 493 CE LYS 32 -15.739 13.159 4.051 1.00 42.43 ATOM 494 HE1 LYS 32 -15.864 12.929 3.003 1.00 37.52 ATOM 495 HE2 LYS 32 -16.693 13.451 4.471 1.00 63.40 ATOM 496 NZ LYS 32 -15.266 11.938 4.760 1.00 13.30 ATOM 497 HZ1 LYS 32 -15.962 11.173 4.650 1.00 0.54 ATOM 498 HZ2 LYS 32 -15.143 12.133 5.775 1.00 63.22 ATOM 499 HZ3 LYS 32 -14.356 11.620 4.366 1.00 45.52 ATOM 500 C LYS 32 -13.900 19.117 3.072 1.00 13.31 ATOM 501 O LYS 32 -12.732 18.748 2.949 1.00 1.42 ATOM 502 N ILE 33 -14.284 20.377 2.898 1.00 41.42 ATOM 503 HN ILE 33 -15.234 20.616 3.021 1.00 37.52 ATOM 504 CA ILE 33 -13.332 21.423 2.545 1.00 1.30 ATOM 505 HA ILE 33 -12.638 20.994 1.842 1.00 65.33 ATOM 506 CB ILE 33 -14.032 22.616 1.867 1.00 64.24 ATOM 507 HB ILE 33 -14.725 23.054 2.572 1.00 1.33 ATOM 508 CG1 ILE 33 -14.809 22.146 0.635 1.00 4.01 ATOM 509 HG11 ILE 33 -15.330 22.989 0.203 1.00 37.52 ATOM 510 HG12 ILE 33 -15.534 21.400 0.926 1.00 11.12 ATOM 511 CG2 ILE 33 -13.013 23.679 1.483 1.00 13.23 ATOM 512 HG21 ILE 33 -12.505 24.025 2.350 1.00 21.55 ATOM 513 HG22 ILE 33 -13.523 24.513 1.023 1.00 21.33 ATOM 514 HG23 ILE 33 -12.298 23.280 0.786 1.00 24.51 ATOM 515 CD1 ILE 33 -13.931 21.546 -0.441 1.00 4.32 ATOM 516 HD11 ILE 33 -14.556 21.219 -1.259 1.00 72.21 ATOM 517 HD12 ILE 33 -13.392 20.698 -0.054 1.00 41.22 ATOM 518 HD13 ILE 33 -13.234 22.283 -0.807 1.00 70.43 ATOM 519 C ILE 33 -12.582 21.921 3.776 1.00 44.54 ATOM 520 O ILE 33 -13.170 22.206 4.819 1.00 41.51 ATOM 521 N PRO 34 -11.251 22.031 3.653 1.00 45.34 ATOM 522 CA PRO 34 -10.391 22.498 4.744 1.00 24.13 ATOM 523 HA PRO 34 -10.552 21.928 5.648 1.00 11.43 ATOM 524 CB PRO 34 -8.977 22.238 4.218 1.00 22.21 ATOM 525 HB1 PRO 34 -8.642 21.271 4.561 1.00 37.52 ATOM 526 HB2 PRO 34 -8.289 23.000 4.564 1.00 0.22 ATOM 527 CG PRO 34 -9.115 22.259 2.735 1.00 42.11 ATOM 528 HG1 PRO 34 -8.357 21.632 2.288 1.00 37.52 ATOM 529 HG2 PRO 34 -9.025 23.257 2.378 1.00 54.41 ATOM 530 CD PRO 34 -10.482 21.709 2.438 1.00 15.13 ATOM 531 HD1 PRO 34 -10.431 20.640 2.288 1.00 37.52 ATOM 532 HD2 PRO 34 -10.879 22.185 1.570 1.00 11.32 ATOM 533 C PRO 34 -10.584 23.981 5.041 1.00 1.11 ATOM 534 O PRO 34 -10.608 24.394 6.201 1.00 45.54 ATOM 535 N PHE 35 -10.722 24.778 3.986 1.00 34.35 ATOM 536 HN PHE 35 -10.732 24.387 3.098 1.00 37.52 ATOM 537 CA PHE 35 -10.913 26.216 4.135 1.00 73.25 ATOM 538 HA PHE 35 -10.537 26.507 5.108 1.00 61.33 ATOM 539 CB PHE 35 -10.116 26.970 3.069 1.00 44.02 ATOM 540 HB1 PHE 35 -9.063 26.882 3.302 1.00 37.52 ATOM 541 HB2 PHE 35 -10.382 28.019 3.082 1.00 45.42 ATOM 542 CG PHE 35 -10.334 26.450 1.677 1.00 52.23 ATOM 543 CD1 PHE 35 -9.485 25.498 1.137 1.00 22.22 ATOM 544 HD1 PHE 35 -8.655 25.135 1.722 1.00 44.53 ATOM 545 CD2 PHE 35 -11.389 26.915 0.907 1.00 21.43 ATOM 546 HD2 PHE 35 -12.059 27.657 1.313 1.00 13.51 ATOM 547 CE1 PHE 35 -9.683 25.017 -0.143 1.00 53.04 ATOM 548 HE1 PHE 35 -9.012 24.276 -0.542 1.00 12.13 ATOM 549 CE2 PHE 35 -11.593 26.437 -0.374 1.00 4.24 ATOM 550 HE2 PHE 35 -12.406 26.798 -0.963 1.00 61.54 ATOM 551 CZ PHE 35 -10.738 25.488 -0.900 1.00 51.31 ATOM 552 HZ PHE 35 -10.893 25.116 -1.899 1.00 75.45 ATOM 553 C PHE 35 -12.391 26.581 4.033 1.00 13.52 ATOM 554 O PHE 35 -13.195 25.864 3.438 1.00 60.25 ATOM 555 N PRO 36 -12.760 27.725 4.630 1.00 45.14 ATOM 556 CA PRO 36 -14.142 28.213 4.621 1.00 21.11 ATOM 557 HA PRO 36 -14.828 27.461 4.988 1.00 54.24 ATOM 558 CB PRO 36 -14.108 29.393 5.596 1.00 63.32 ATOM 559 HB1 PRO 36 -14.390 29.053 6.581 1.00 37.52 ATOM 560 HB2 PRO 36 -14.784 30.170 5.276 1.00 41.12 ATOM 561 CG PRO 36 -12.693 29.859 5.576 1.00 11.33 ATOM 562 HG1 PRO 36 -12.443 30.320 6.520 1.00 37.52 ATOM 563 HG2 PRO 36 -12.555 30.550 4.774 1.00 3.35 ATOM 564 CD PRO 36 -11.855 28.630 5.358 1.00 44.33 ATOM 565 HD1 PRO 36 -11.562 28.202 6.306 1.00 37.52 ATOM 566 HD2 PRO 36 -10.988 28.881 4.777 1.00 14.55 ATOM 567 C PRO 36 -14.584 28.677 3.238 1.00 51.43 ATOM 568 O PRO 36 -13.758 29.040 2.399 1.00 73.30 ATOM 569 N THR 37 -15.893 28.665 3.005 1.00 40.24 ATOM 570 HN THR 37 -16.506 28.396 3.729 1.00 37.52 ATOM 571 CA THR 37 -16.445 29.085 1.723 1.00 61.54 ATOM 572 HA THR 37 -15.874 28.618 0.939 1.00 70.04 ATOM 573 CB THR 37 -17.912 28.641 1.571 1.00 53.23 ATOM 574 HB THR 37 -18.224 28.824 0.552 1.00 42.31 ATOM 575 OG1 THR 37 -18.746 29.393 2.459 1.00 2.44 ATOM 576 HG1 THR 37 -19.643 29.417 2.117 1.00 33.13 ATOM 577 CG2 THR 37 -18.062 27.156 1.863 1.00 63.34 ATOM 578 HG21 THR 37 -19.076 26.853 1.651 1.00 45.32 ATOM 579 HG22 THR 37 -17.844 26.963 2.902 1.00 71.51 ATOM 580 HG23 THR 37 -17.383 26.589 1.240 1.00 41.32 ATOM 581 C THR 37 -16.363 30.598 1.557 1.00 35.25 ATOM 582 O THR 37 -16.087 31.099 0.467 1.00 30.24 ATOM 583 N ASP 38 -16.605 31.321 2.645 1.00 31.34 ATOM 584 HN ASP 38 -16.858 30.864 3.481 1.00 37.52 ATOM 585 CA ASP 38 -16.557 32.778 2.621 1.00 32.03 ATOM 586 HA ASP 38 -17.333 33.127 1.954 1.00 44.32 ATOM 587 CB ASP 38 -16.818 33.341 4.019 1.00 4.33 ATOM 588 HB1 ASP 38 -17.830 33.099 4.310 1.00 37.52 ATOM 589 HB2 ASP 38 -16.704 34.417 4.005 1.00 15.21 ATOM 590 CG ASP 38 -15.873 32.770 5.059 1.00 50.53 ATOM 591 OD1 ASP 38 -14.700 33.199 5.094 1.00 72.31 ATOM 592 OD2 ASP 38 -16.307 31.896 5.837 1.00 2.24 ATOM 593 C ASP 38 -15.208 33.269 2.105 1.00 73.13 ATOM 594 O ASP 38 -15.125 34.299 1.435 1.00 20.24 ATOM 595 N LYS 39 -14.153 32.525 2.421 1.00 54.51 ATOM 596 HN LYS 39 -14.272 31.717 2.973 1.00 37.52 ATOM 597 CA LYS 39 -12.807 32.884 1.989 1.00 35.43 ATOM 598 HA LYS 39 -12.633 33.919 2.236 1.00 50.51 ATOM 599 CB LYS 39 -11.770 32.032 2.724 1.00 34.54 ATOM 600 HB1 LYS 39 -11.980 30.987 2.546 1.00 37.52 ATOM 601 HB2 LYS 39 -11.860 32.237 3.781 1.00 65.33 ATOM 602 CG LYS 39 -10.339 32.316 2.302 1.00 55.03 ATOM 603 HG1 LYS 39 -10.179 33.384 2.266 1.00 37.52 ATOM 604 HG2 LYS 39 -10.192 31.894 1.323 1.00 63.31 ATOM 605 CD LYS 39 -9.340 31.675 3.250 1.00 70.34 ATOM 606 HD1 LYS 39 -8.462 31.398 2.685 1.00 37.52 ATOM 607 HD2 LYS 39 -9.768 30.788 3.700 1.00 33.30 ATOM 608 CE LYS 39 -8.923 32.635 4.353 1.00 44.13 ATOM 609 HE1 LYS 39 -9.734 32.725 5.060 1.00 37.52 ATOM 610 HE2 LYS 39 -8.711 33.606 3.923 1.00 54.40 ATOM 611 NZ LYS 39 -7.707 32.161 5.071 1.00 73.43 ATOM 612 HZ1 LYS 39 -6.907 32.073 4.410 1.00 0.14 ATOM 613 HZ2 LYS 39 -7.884 31.234 5.510 1.00 4.23 ATOM 614 HZ3 LYS 39 -7.450 32.838 5.817 1.00 70.40 ATOM 615 C LYS 39 -12.653 32.703 0.483 1.00 52.35 ATOM 616 O LYS 39 -11.817 33.352 -0.147 1.00 51.00 ATOM 617 N ILE 40 -13.465 31.820 -0.089 1.00 40.43 ATOM 618 HN ILE 40 -14.104 31.328 0.457 1.00 37.52 ATOM 619 CA ILE 40 -13.420 31.558 -1.522 1.00 64.23 ATOM 620 HA ILE 40 -12.396 31.323 -1.792 1.00 11.53 ATOM 621 CB ILE 40 -14.306 30.357 -1.903 1.00 51.41 ATOM 622 HB ILE 40 -15.328 30.590 -1.653 1.00 13.30 ATOM 623 CG1 ILE 40 -13.872 29.110 -1.131 1.00 63.34 ATOM 624 HG11 ILE 40 -13.890 29.312 -0.071 1.00 37.52 ATOM 625 HG12 ILE 40 -12.867 28.844 -1.421 1.00 0.55 ATOM 626 CG2 ILE 40 -14.244 30.108 -3.403 1.00 31.34 ATOM 627 HG21 ILE 40 -14.033 29.075 -3.627 1.00 62.02 ATOM 628 HG22 ILE 40 -13.488 30.714 -3.860 1.00 24.21 ATOM 629 HG23 ILE 40 -15.201 30.364 -3.829 1.00 2.43 ATOM 630 CD1 ILE 40 -14.759 27.909 -1.375 1.00 62.03 ATOM 631 HD11 ILE 40 -14.634 27.555 -2.380 1.00 22.32 ATOM 632 HD12 ILE 40 -15.793 28.186 -1.222 1.00 63.21 ATOM 633 HD13 ILE 40 -14.498 27.123 -0.683 1.00 62.42 ATOM 634 C ILE 40 -13.867 32.779 -2.319 1.00 64.43 ATOM 635 O ILE 40 -13.360 33.041 -3.410 1.00 5.31 ATOM 636 N VAL 41 -14.819 33.523 -1.766 1.00 42.43 ATOM 637 HN VAL 41 -15.208 33.261 -0.900 1.00 37.52 ATOM 638 CA VAL 41 -15.333 34.719 -2.424 1.00 3.02 ATOM 639 HA VAL 41 -15.112 34.659 -3.486 1.00 43.54 ATOM 640 CB VAL 41 -16.860 34.834 -2.265 1.00 74.13 ATOM 641 HB VAL 41 -17.088 35.048 -1.228 1.00 14.40 ATOM 642 CG1 VAL 41 -17.401 35.974 -3.114 1.00 53.24 ATOM 643 HG11 VAL 41 -17.101 35.838 -4.144 1.00 54.15 ATOM 644 HG12 VAL 41 -17.022 36.916 -2.750 1.00 33.30 ATOM 645 HG13 VAL 41 -18.482 35.987 -3.058 1.00 22.42 ATOM 646 CG2 VAL 41 -17.534 33.520 -2.631 1.00 61.11 ATOM 647 HG21 VAL 41 -17.313 33.276 -3.657 1.00 2.12 ATOM 648 HG22 VAL 41 -18.603 33.617 -2.509 1.00 62.33 ATOM 649 HG23 VAL 41 -17.178 32.730 -1.987 1.00 31.04 ATOM 650 C VAL 41 -14.679 35.978 -1.865 1.00 23.42 ATOM 651 O VAL 41 -14.578 36.994 -2.551 1.00 24.31 ATOM 652 N ASN 42 -14.235 35.902 -0.614 1.00 73.01 ATOM 653 HN ASN 42 -14.349 35.070 -0.102 1.00 37.52 ATOM 654 CA ASN 42 -13.590 37.036 0.038 1.00 73.20 ATOM 655 HA ASN 42 -14.202 37.917 -0.128 1.00 75.32 ATOM 656 CB ASN 42 -13.465 36.782 1.542 1.00 53.53 ATOM 657 HB1 ASN 42 -12.609 37.320 1.934 1.00 37.52 ATOM 658 HB2 ASN 42 -13.324 35.737 1.724 1.00 52.11 ATOM 659 CG ASN 42 -14.686 37.250 2.310 1.00 31.03 ATOM 660 OD1 ASN 42 -14.568 37.897 3.351 1.00 30.32 ATOM 661 ND2 ASN 42 -15.868 36.924 1.799 1.00 25.42 ATOM 662 HD21 ASN 42 -15.924 36.402 0.977 1.00 73.44 ATOM 663 HD22 ASN 42 -16.663 37.230 2.283 1.00 34.44 ATOM 664 C ASN 42 -12.212 37.296 -0.562 1.00 2.24 ATOM 665 O ASN 42 -11.859 38.437 -0.864 1.00 14.12 ATOM 666 N LEU 43 -11.436 36.231 -0.732 1.00 11.24 ATOM 667 HN LEU 43 -11.770 35.341 -0.467 1.00 37.52 ATOM 668 CA LEU 43 -10.096 36.343 -1.296 1.00 5.30 ATOM 669 HA LEU 43 -9.572 37.083 -0.715 1.00 62.13 ATOM 670 CB LEU 43 -9.369 35.000 -1.207 1.00 33.01 ATOM 671 HB1 LEU 43 -8.609 34.954 -1.978 1.00 37.52 ATOM 672 HB2 LEU 43 -10.085 34.222 -1.419 1.00 44.15 ATOM 673 CG LEU 43 -8.697 34.688 0.131 1.00 72.24 ATOM 674 HG LEU 43 -9.427 34.778 0.918 1.00 23.34 ATOM 675 CD1 LEU 43 -8.161 33.265 0.139 1.00 64.20 ATOM 676 HD11 LEU 43 -7.810 33.018 1.130 1.00 13.22 ATOM 677 HD12 LEU 43 -7.343 33.179 -0.563 1.00 35.13 ATOM 678 HD13 LEU 43 -8.943 32.581 -0.146 1.00 34.34 ATOM 679 CD2 LEU 43 -7.580 35.683 0.411 1.00 33.52 ATOM 680 HD21 LEU 43 -7.148 35.471 1.379 1.00 15.24 ATOM 681 HD22 LEU 43 -7.966 36.689 0.416 1.00 43.31 ATOM 682 HD23 LEU 43 -6.813 35.593 -0.344 1.00 4.35 ATOM 683 C LEU 43 -10.153 36.808 -2.748 1.00 30.03 ATOM 684 O LEU 43 -11.173 36.682 -3.426 1.00 21.33 ATOM 685 N PRO 44 -9.032 37.357 -3.238 1.00 61.14 ATOM 686 CA PRO 44 -8.928 37.849 -4.615 1.00 74.14 ATOM 687 HA PRO 44 -9.718 38.549 -4.847 1.00 60.30 ATOM 688 CB PRO 44 -7.580 38.573 -4.633 1.00 11.21 ATOM 689 HB1 PRO 44 -7.736 39.621 -4.424 1.00 37.52 ATOM 690 HB2 PRO 44 -7.097 38.467 -5.597 1.00 53.33 ATOM 691 CG PRO 44 -6.788 37.926 -3.550 1.00 70.40 ATOM 692 HG1 PRO 44 -6.057 38.617 -3.156 1.00 37.52 ATOM 693 HG2 PRO 44 -6.317 37.068 -3.952 1.00 40.01 ATOM 694 CD PRO 44 -7.779 37.539 -2.487 1.00 3.11 ATOM 695 HD1 PRO 44 -7.878 38.328 -1.756 1.00 37.52 ATOM 696 HD2 PRO 44 -7.465 36.640 -2.025 1.00 62.32 ATOM 697 C PRO 44 -8.939 36.717 -5.637 1.00 45.35 ATOM 698 O PRO 44 -8.903 35.541 -5.277 1.00 31.24 ATOM 699 N VAL 45 -8.987 37.081 -6.915 1.00 64.43 ATOM 700 HN VAL 45 -9.019 38.040 -7.140 1.00 37.52 ATOM 701 CA VAL 45 -9.000 36.095 -7.990 1.00 44.51 ATOM 702 HA VAL 45 -9.764 35.358 -7.762 1.00 71.41 ATOM 703 CB VAL 45 -9.343 36.746 -9.344 1.00 5.05 ATOM 704 HB VAL 45 -10.251 37.319 -9.226 1.00 24.40 ATOM 705 CG1 VAL 45 -8.235 37.695 -9.776 1.00 60.30 ATOM 706 HG11 VAL 45 -8.003 38.385 -8.977 1.00 22.34 ATOM 707 HG12 VAL 45 -8.569 38.256 -10.636 1.00 43.04 ATOM 708 HG13 VAL 45 -7.345 37.141 -10.043 1.00 44.14 ATOM 709 CG2 VAL 45 -9.585 35.679 -10.401 1.00 12.44 ATOM 710 HG21 VAL 45 -10.338 34.984 -10.053 1.00 72.34 ATOM 711 HG22 VAL 45 -8.670 35.144 -10.608 1.00 4.13 ATOM 712 HG23 VAL 45 -9.933 36.150 -11.309 1.00 32.52 ATOM 713 C VAL 45 -7.653 35.389 -8.105 1.00 14.33 ATOM 714 O VAL 45 -7.571 34.263 -8.595 1.00 53.25 ATOM 715 N ASP 46 -6.600 36.058 -7.648 1.00 72.13 ATOM 716 HN ASP 46 -6.718 36.958 -7.269 1.00 37.52 ATOM 717 CA ASP 46 -5.256 35.494 -7.698 1.00 33.12 ATOM 718 HA ASP 46 -5.145 34.963 -8.638 1.00 73.31 ATOM 719 CB ASP 46 -4.210 36.606 -7.616 1.00 1.41 ATOM 720 HB1 ASP 46 -3.415 36.321 -6.937 1.00 37.52 ATOM 721 HB2 ASP 46 -4.665 37.515 -7.249 1.00 13.25 ATOM 722 CG ASP 46 -3.577 36.906 -8.961 1.00 11.25 ATOM 723 OD1 ASP 46 -3.975 37.907 -9.593 1.00 24.30 ATOM 724 OD2 ASP 46 -2.685 36.140 -9.381 1.00 22.21 ATOM 725 C ASP 46 -5.044 34.495 -6.565 1.00 32.33 ATOM 726 O ASP 46 -4.809 33.310 -6.804 1.00 52.23 ATOM 727 N ASP 47 -5.128 34.981 -5.331 1.00 62.42 ATOM 728 HN ASP 47 -5.311 35.937 -5.209 1.00 37.52 ATOM 729 CA ASP 47 -4.945 34.130 -4.161 1.00 11.34 ATOM 730 HA ASP 47 -3.915 33.802 -4.145 1.00 22.40 ATOM 731 CB ASP 47 -5.239 34.917 -2.882 1.00 23.51 ATOM 732 HB1 ASP 47 -5.128 34.262 -2.027 1.00 37.52 ATOM 733 HB2 ASP 47 -6.248 35.278 -2.916 1.00 13.31 ATOM 734 CG ASP 47 -4.300 36.092 -2.697 1.00 1.42 ATOM 735 OD1 ASP 47 -4.536 36.901 -1.775 1.00 12.31 ATOM 736 OD2 ASP 47 -3.328 36.203 -3.473 1.00 54.32 ATOM 737 C ASP 47 -5.846 32.902 -4.235 1.00 72.33 ATOM 738 O ASP 47 -5.476 31.819 -3.781 1.00 33.12 ATOM 739 N PHE 48 -7.031 33.077 -4.811 1.00 11.43 ATOM 740 HN PHE 48 -7.292 33.971 -5.133 1.00 37.52 ATOM 741 CA PHE 48 -7.986 31.984 -4.943 1.00 75.32 ATOM 742 HA PHE 48 -8.159 31.565 -3.960 1.00 34.00 ATOM 743 CB PHE 48 -9.315 32.503 -5.496 1.00 13.10 ATOM 744 HB1 PHE 48 -9.118 33.097 -6.379 1.00 37.52 ATOM 745 HB2 PHE 48 -9.782 33.130 -4.749 1.00 74.42 ATOM 746 CG PHE 48 -10.284 31.412 -5.851 1.00 34.10 ATOM 747 CD1 PHE 48 -10.712 31.245 -7.158 1.00 51.32 ATOM 748 HD1 PHE 48 -10.343 31.907 -7.930 1.00 72.31 ATOM 749 CD2 PHE 48 -10.768 30.553 -4.877 1.00 51.01 ATOM 750 HD2 PHE 48 -10.443 30.669 -3.852 1.00 71.44 ATOM 751 CE1 PHE 48 -11.604 30.242 -7.488 1.00 64.24 ATOM 752 HE1 PHE 48 -11.930 30.123 -8.511 1.00 72.33 ATOM 753 CE2 PHE 48 -11.659 29.548 -5.201 1.00 73.33 ATOM 754 HE2 PHE 48 -12.022 28.899 -4.432 1.00 54.12 ATOM 755 CZ PHE 48 -12.079 29.393 -6.508 1.00 65.43 ATOM 756 HZ PHE 48 -12.776 28.609 -6.763 1.00 74.31 ATOM 757 C PHE 48 -7.437 30.889 -5.853 1.00 52.03 ATOM 758 O PHE 48 -7.421 29.714 -5.489 1.00 2.34 ATOM 759 N ASN 49 -6.989 31.284 -7.040 1.00 42.53 ATOM 760 HN ASN 49 -7.033 32.242 -7.278 1.00 37.52 ATOM 761 CA ASN 49 -6.440 30.338 -8.004 1.00 64.41 ATOM 762 HA ASN 49 -7.237 29.673 -8.311 1.00 63.33 ATOM 763 CB ASN 49 -5.896 31.080 -9.227 1.00 33.22 ATOM 764 HB1 ASN 49 -5.235 30.428 -9.787 1.00 37.52 ATOM 765 HB2 ASN 49 -5.338 31.945 -8.896 1.00 50.24 ATOM 766 CG ASN 49 -6.999 31.538 -10.162 1.00 63.11 ATOM 767 OD1 ASN 49 -8.005 30.851 -10.337 1.00 33.14 ATOM 768 ND2 ASN 49 -6.813 32.704 -10.769 1.00 44.22 ATOM 769 HD21 ASN 49 -5.988 33.211 -10.592 1.00 52.14 ATOM 770 HD22 ASN 49 -7.514 33.018 -11.377 1.00 22.33 ATOM 771 C ASN 49 -5.334 29.498 -7.372 1.00 63.21 ATOM 772 O ASN 49 -5.172 28.322 -7.697 1.00 10.02 ATOM 773 N GLU 50 -4.576 30.111 -6.468 1.00 32.32 ATOM 774 HN GLU 50 -4.736 31.059 -6.253 1.00 37.52 ATOM 775 CA GLU 50 -3.486 29.419 -5.791 1.00 24.13 ATOM 776 HA GLU 50 -3.042 28.710 -6.482 1.00 55.02 ATOM 777 CB GLU 50 -2.410 30.417 -5.356 1.00 54.35 ATOM 778 HB1 GLU 50 -1.696 29.921 -4.706 1.00 37.52 ATOM 779 HB2 GLU 50 -2.886 31.214 -4.803 1.00 73.24 ATOM 780 CG GLU 50 -1.652 31.038 -6.517 1.00 50.45 ATOM 781 HG1 GLU 50 -1.125 31.909 -6.155 1.00 37.52 ATOM 782 HG2 GLU 50 -2.355 31.341 -7.282 1.00 62.11 ATOM 783 CD GLU 50 -0.642 30.088 -7.130 1.00 21.52 ATOM 784 OE1 GLU 50 -0.780 29.766 -8.328 1.00 62.33 ATOM 785 OE2 GLU 50 0.287 29.665 -6.409 1.00 41.55 ATOM 786 C GLU 50 -4.000 28.649 -4.578 1.00 23.22 ATOM 787 O GLU 50 -3.394 27.665 -4.151 1.00 35.52 ATOM 788 N LEU 51 -5.119 29.104 -4.027 1.00 34.12 ATOM 789 HN LEU 51 -5.534 29.917 -4.373 1.00 37.52 ATOM 790 CA LEU 51 -5.716 28.459 -2.862 1.00 71.12 ATOM 791 HA LEU 51 -4.976 28.431 -2.079 1.00 72.51 ATOM 792 CB LEU 51 -6.917 29.266 -2.367 1.00 53.40 ATOM 793 HB1 LEU 51 -7.635 29.316 -3.172 1.00 37.52 ATOM 794 HB2 LEU 51 -6.582 30.273 -2.155 1.00 4.32 ATOM 795 CG LEU 51 -7.629 28.720 -1.129 1.00 3.24 ATOM 796 HG LEU 51 -7.869 27.678 -1.279 1.00 33.51 ATOM 797 CD1 LEU 51 -6.726 28.818 0.092 1.00 74.42 ATOM 798 HD11 LEU 51 -5.826 28.245 -0.075 1.00 75.10 ATOM 799 HD12 LEU 51 -7.241 28.423 0.957 1.00 4.43 ATOM 800 HD13 LEU 51 -6.465 29.852 0.272 1.00 33.43 ATOM 801 CD2 LEU 51 -8.933 29.466 -0.890 1.00 53.44 ATOM 802 HD21 LEU 51 -9.575 29.359 -1.754 1.00 72.31 ATOM 803 HD22 LEU 51 -8.728 30.513 -0.724 1.00 45.43 ATOM 804 HD23 LEU 51 -9.433 29.056 -0.023 1.00 71.42 ATOM 805 C LEU 51 -6.148 27.033 -3.191 1.00 2.33 ATOM 806 O LEU 51 -6.173 26.164 -2.318 1.00 41.13 ATOM 807 N LEU 52 -6.485 26.799 -4.454 1.00 40.31 ATOM 808 HN LEU 52 -6.466 27.533 -5.111 1.00 37.52 ATOM 809 CA LEU 52 -6.914 25.478 -4.899 1.00 64.24 ATOM 810 HA LEU 52 -7.692 25.139 -4.233 1.00 3.32 ATOM 811 CB LEU 52 -7.478 25.555 -6.319 1.00 33.41 ATOM 812 HB1 LEU 52 -7.633 24.553 -6.678 1.00 37.52 ATOM 813 HB2 LEU 52 -6.721 26.019 -6.939 1.00 25.13 ATOM 814 CG LEU 52 -8.784 26.334 -6.481 1.00 3.33 ATOM 815 HG LEU 52 -8.750 27.223 -5.865 1.00 4.32 ATOM 816 CD1 LEU 52 -8.965 26.778 -7.924 1.00 1.41 ATOM 817 HD11 LEU 52 -9.015 25.912 -8.570 1.00 11.24 ATOM 818 HD12 LEU 52 -8.130 27.398 -8.220 1.00 13.13 ATOM 819 HD13 LEU 52 -9.880 27.347 -8.017 1.00 52.30 ATOM 820 CD2 LEU 52 -9.967 25.492 -6.027 1.00 55.52 ATOM 821 HD21 LEU 52 -9.942 24.528 -6.519 1.00 1.44 ATOM 822 HD22 LEU 52 -10.884 25.993 -6.286 1.00 51.40 ATOM 823 HD23 LEU 52 -9.918 25.350 -4.959 1.00 34.34 ATOM 824 C LEU 52 -5.756 24.486 -4.853 1.00 61.34 ATOM 825 O LEU 52 -5.912 23.356 -4.392 1.00 20.32 ATOM 826 N ALA 53 -4.594 24.917 -5.333 1.00 51.32 ATOM 827 HN ALA 53 -4.525 25.835 -5.690 1.00 37.52 ATOM 828 CA ALA 53 -3.409 24.069 -5.343 1.00 31.41 ATOM 829 HA ALA 53 -3.710 23.056 -5.586 1.00 51.31 ATOM 830 CB ALA 53 -2.437 24.531 -6.418 1.00 54.44 ATOM 831 HB1 ALA 53 -2.095 25.532 -6.194 1.00 31.42 ATOM 832 HB2 ALA 53 -2.937 24.530 -7.376 1.00 33.43 ATOM 833 HB3 ALA 53 -1.590 23.860 -6.456 1.00 60.13 ATOM 834 C ALA 53 -2.727 24.062 -3.979 1.00 14.02 ATOM 835 O ALA 53 -2.020 23.116 -3.633 1.00 22.04 ATOM 836 N ARG 54 -2.945 25.123 -3.209 1.00 4.22 ATOM 837 HN ARG 54 -3.507 25.860 -3.540 1.00 37.52 ATOM 838 CA ARG 54 -2.349 25.240 -1.883 1.00 73.11 ATOM 839 HA ARG 54 -1.277 25.111 -1.983 1.00 51.44 ATOM 840 CB ARG 54 -2.642 26.619 -1.289 1.00 34.33 ATOM 841 HB1 ARG 54 -2.763 26.528 -0.214 1.00 37.52 ATOM 842 HB2 ARG 54 -3.560 26.997 -1.704 1.00 34.23 ATOM 843 CG ARG 54 -1.547 27.639 -1.549 1.00 4.45 ATOM 844 HG1 ARG 54 -1.529 27.879 -2.600 1.00 37.52 ATOM 845 HG2 ARG 54 -0.595 27.217 -1.259 1.00 71.30 ATOM 846 CD ARG 54 -1.774 28.916 -0.754 1.00 34.10 ATOM 847 HD1 ARG 54 -2.033 28.655 0.266 1.00 37.52 ATOM 848 HD2 ARG 54 -2.589 29.464 -1.202 1.00 33.43 ATOM 849 NE ARG 54 -0.588 29.767 -0.734 1.00 0.21 ATOM 850 HE ARG 54 0.183 29.499 -1.287 1.00 43.01 ATOM 851 CZ ARG 54 -0.494 30.880 -0.015 1.00 11.14 ATOM 852 NH1 ARG 54 -1.511 31.274 0.740 1.00 60.43 ATOM 853 HH11 ARG 54 -2.360 30.750 0.784 1.00 15.41 ATOM 854 HH12 ARG 54 -1.430 32.115 1.280 1.00 12.33 ATOM 855 NH2 ARG 54 0.619 31.602 -0.049 1.00 20.53 ATOM 856 HH21 ARG 54 1.391 31.310 -0.617 1.00 32.10 ATOM 857 HH22 ARG 54 0.692 32.442 0.493 1.00 73.23 ATOM 858 C ARG 54 -2.876 24.151 -0.953 1.00 23.21 ATOM 859 O ARG 54 -2.135 23.611 -0.130 1.00 51.54 ATOM 860 N TYR 55 -4.158 23.833 -1.089 1.00 12.21 ATOM 861 HN TYR 55 -4.711 24.293 -1.762 1.00 37.52 ATOM 862 CA TYR 55 -4.785 22.811 -0.259 1.00 64.11 ATOM 863 HA TYR 55 -4.142 22.625 0.594 1.00 25.02 ATOM 864 CB TYR 55 -6.142 23.298 0.249 1.00 14.44 ATOM 865 HB1 TYR 55 -6.744 22.457 0.570 1.00 37.52 ATOM 866 HB2 TYR 55 -6.659 23.795 -0.563 1.00 32.44 ATOM 867 CG TYR 55 -6.043 24.275 1.400 1.00 72.15 ATOM 868 CD1 TYR 55 -6.307 23.873 2.703 1.00 71.20 ATOM 869 HD1 TYR 55 -6.572 22.847 2.894 1.00 20.24 ATOM 870 CD2 TYR 55 -5.685 25.600 1.183 1.00 65.34 ATOM 871 HD2 TYR 55 -5.475 25.933 0.176 1.00 61.51 ATOM 872 CE1 TYR 55 -6.219 24.762 3.756 1.00 25.15 ATOM 873 HE1 TYR 55 -6.428 24.429 4.762 1.00 51.32 ATOM 874 CE2 TYR 55 -5.592 26.495 2.230 1.00 0.43 ATOM 875 HE2 TYR 55 -5.308 27.519 2.042 1.00 42.41 ATOM 876 CZ TYR 55 -5.860 26.072 3.515 1.00 34.22 ATOM 877 OH TYR 55 -5.770 26.960 4.562 1.00 4.22 ATOM 878 HH TYR 55 -6.514 27.570 4.538 1.00 41.21 ATOM 879 C TYR 55 -4.957 21.509 -1.036 1.00 13.22 ATOM 880 O TYR 55 -4.987 21.490 -2.266 1.00 73.34 ATOM 881 N PRO 56 -5.074 20.394 -0.300 1.00 73.32 ATOM 882 CA PRO 56 -5.247 19.066 -0.897 1.00 54.23 ATOM 883 HA PRO 56 -4.475 18.854 -1.623 1.00 22.00 ATOM 884 CB PRO 56 -5.103 18.119 0.296 1.00 20.22 ATOM 885 HB1 PRO 56 -4.074 17.800 0.370 1.00 37.52 ATOM 886 HB2 PRO 56 -5.737 17.248 0.188 1.00 12.31 ATOM 887 CG PRO 56 -5.488 18.938 1.479 1.00 11.32 ATOM 888 HG1 PRO 56 -4.982 18.571 2.360 1.00 37.52 ATOM 889 HG2 PRO 56 -6.559 18.903 1.617 1.00 61.11 ATOM 890 CD PRO 56 -5.047 20.343 1.171 1.00 33.43 ATOM 891 HD1 PRO 56 -4.048 20.513 1.544 1.00 37.52 ATOM 892 HD2 PRO 56 -5.734 21.041 1.609 1.00 53.43 ATOM 893 C PRO 56 -6.616 18.898 -1.549 1.00 23.52 ATOM 894 O PRO 56 -7.523 18.303 -0.966 1.00 32.41 ATOM 895 N LEU 57 -6.758 19.424 -2.760 1.00 62.22 ATOM 896 HN LEU 57 -5.998 19.885 -3.185 1.00 37.52 ATOM 897 CA LEU 57 -8.016 19.331 -3.492 1.00 34.10 ATOM 898 HA LEU 57 -8.757 18.870 -2.860 1.00 33.15 ATOM 899 CB LEU 57 -8.516 20.727 -3.866 1.00 12.54 ATOM 900 HB1 LEU 57 -9.502 20.629 -4.302 1.00 37.52 ATOM 901 HB2 LEU 57 -7.846 21.136 -4.606 1.00 60.13 ATOM 902 CG LEU 57 -8.589 21.742 -2.724 1.00 5.11 ATOM 903 HG LEU 57 -7.588 21.955 -2.377 1.00 20.35 ATOM 904 CD1 LEU 57 -9.205 23.046 -3.207 1.00 20.13 ATOM 905 HD11 LEU 57 -10.244 22.886 -3.431 1.00 53.24 ATOM 906 HD12 LEU 57 -8.700 23.372 -4.103 1.00 55.22 ATOM 907 HD13 LEU 57 -9.108 23.797 -2.455 1.00 21.11 ATOM 908 CD2 LEU 57 -9.382 21.175 -1.556 1.00 13.10 ATOM 909 HD21 LEU 57 -8.885 20.312 -1.155 1.00 42.13 ATOM 910 HD22 LEU 57 -10.372 20.896 -1.888 1.00 22.33 ATOM 911 HD23 LEU 57 -9.467 21.924 -0.779 1.00 74.11 ATOM 912 C LEU 57 -7.854 18.483 -4.750 1.00 1.24 ATOM 913 O LEU 57 -6.881 18.631 -5.490 1.00 22.41 ATOM 914 N THR 58 -8.815 17.596 -4.987 1.00 63.43 ATOM 915 HN THR 58 -9.563 17.513 -4.358 1.00 37.52 ATOM 916 CA THR 58 -8.779 16.725 -6.156 1.00 11.15 ATOM 917 HA THR 58 -7.758 16.661 -6.523 1.00 41.45 ATOM 918 CB THR 58 -9.254 15.301 -5.810 1.00 15.31 ATOM 919 HB THR 58 -9.515 14.770 -6.717 1.00 44.02 ATOM 920 OG1 THR 58 -10.410 15.362 -4.967 1.00 33.23 ATOM 921 HG1 THR 58 -10.159 15.519 -4.050 1.00 53.33 ATOM 922 CG2 THR 58 -8.153 14.517 -5.113 1.00 43.21 ATOM 923 HG21 THR 58 -7.873 15.019 -4.198 1.00 51.14 ATOM 924 HG22 THR 58 -7.292 14.445 -5.762 1.00 21.41 ATOM 925 HG23 THR 58 -8.511 13.525 -4.882 1.00 4.12 ATOM 926 C THR 58 -9.646 17.279 -7.280 1.00 70.15 ATOM 927 O THR 58 -10.348 18.274 -7.102 1.00 61.35 ATOM 928 N GLU 59 -9.592 16.628 -8.438 1.00 74.32 ATOM 929 HN GLU 59 -9.001 15.842 -8.524 1.00 37.52 ATOM 930 CA GLU 59 -10.374 17.057 -9.592 1.00 62.32 ATOM 931 HA GLU 59 -10.047 18.048 -9.864 1.00 21.41 ATOM 932 CB GLU 59 -10.163 16.096 -10.765 1.00 3.54 ATOM 933 HB1 GLU 59 -10.942 16.249 -11.502 1.00 37.52 ATOM 934 HB2 GLU 59 -10.221 15.081 -10.402 1.00 1.02 ATOM 935 CG GLU 59 -8.825 16.274 -11.464 1.00 14.13 ATOM 936 HG1 GLU 59 -8.804 15.640 -12.338 1.00 37.52 ATOM 937 HG2 GLU 59 -8.038 15.977 -10.787 1.00 44.05 ATOM 938 CD GLU 59 -8.580 17.706 -11.898 1.00 71.04 ATOM 939 OE1 GLU 59 -9.281 18.174 -12.820 1.00 71.22 ATOM 940 OE2 GLU 59 -7.688 18.358 -11.318 1.00 3.32 ATOM 941 C GLU 59 -11.858 17.135 -9.246 1.00 2.24 ATOM 942 O GLU 59 -12.612 17.886 -9.865 1.00 21.25 ATOM 943 N SER 60 -12.270 16.354 -8.252 1.00 64.01 ATOM 944 HN SER 60 -11.644 15.736 -7.815 1.00 37.52 ATOM 945 CA SER 60 -13.664 16.331 -7.825 1.00 63.13 ATOM 946 HA SER 60 -14.295 16.462 -8.696 1.00 42.51 ATOM 947 CB SER 60 -14.000 14.984 -7.181 1.00 42.53 ATOM 948 HB1 SER 60 -15.004 15.012 -6.776 1.00 37.52 ATOM 949 HB2 SER 60 -13.298 14.782 -6.385 1.00 41.34 ATOM 950 OG SER 60 -13.929 13.934 -8.130 1.00 32.23 ATOM 951 HG SER 60 -13.013 13.674 -8.257 1.00 61.21 ATOM 952 C SER 60 -13.950 17.463 -6.843 1.00 61.21 ATOM 953 O SER 60 -15.070 17.968 -6.772 1.00 43.23 ATOM 954 N GLN 61 -12.929 17.854 -6.088 1.00 1.54 ATOM 955 HN GLN 61 -12.063 17.403 -6.165 1.00 37.52 ATOM 956 CA GLN 61 -13.070 18.926 -5.109 1.00 35.13 ATOM 957 HA GLN 61 -14.046 18.853 -4.652 1.00 60.34 ATOM 958 CB GLN 61 -12.010 18.789 -4.015 1.00 0.31 ATOM 959 HB1 GLN 61 -12.098 19.631 -3.338 1.00 37.52 ATOM 960 HB2 GLN 61 -11.038 18.812 -4.471 1.00 3.51 ATOM 961 CG GLN 61 -12.138 17.513 -3.199 1.00 70.13 ATOM 962 HG1 GLN 61 -11.948 16.672 -3.834 1.00 37.52 ATOM 963 HG2 GLN 61 -13.144 17.449 -2.820 1.00 4.22 ATOM 964 CD GLN 61 -11.184 17.474 -2.022 1.00 43.40 ATOM 965 OE1 GLN 61 -10.026 17.077 -2.159 1.00 34.21 ATOM 966 NE2 GLN 61 -11.665 17.889 -0.856 1.00 20.42 ATOM 967 HE21 GLN 61 -12.598 18.197 -0.805 1.00 53.52 ATOM 968 HE22 GLN 61 -11.063 17.871 -0.083 1.00 74.41 ATOM 969 C GLN 61 -12.956 20.292 -5.777 1.00 10.13 ATOM 970 O GLN 61 -13.826 21.149 -5.614 1.00 42.23 ATOM 971 N LEU 62 -11.878 20.489 -6.528 1.00 13.31 ATOM 972 HN LEU 62 -11.220 19.764 -6.621 1.00 37.52 ATOM 973 CA LEU 62 -11.649 21.752 -7.221 1.00 14.40 ATOM 974 HA LEU 62 -11.477 22.515 -6.474 1.00 10.44 ATOM 975 CB LEU 62 -10.420 21.645 -8.125 1.00 54.23 ATOM 976 HB1 LEU 62 -10.511 22.403 -8.898 1.00 37.52 ATOM 977 HB2 LEU 62 -10.445 20.678 -8.615 1.00 22.13 ATOM 978 CG LEU 62 -9.065 21.827 -7.441 1.00 13.24 ATOM 979 HG LEU 62 -9.192 22.389 -6.524 1.00 64.41 ATOM 980 CD1 LEU 62 -8.465 20.478 -7.077 1.00 74.21 ATOM 981 HD11 LEU 62 -8.378 19.863 -7.962 1.00 50.11 ATOM 982 HD12 LEU 62 -9.104 20.000 -6.370 1.00 34.25 ATOM 983 HD13 LEU 62 -7.487 20.623 -6.644 1.00 53.10 ATOM 984 CD2 LEU 62 -8.117 22.611 -8.336 1.00 5.15 ATOM 985 HD21 LEU 62 -7.965 22.077 -9.264 1.00 25.35 ATOM 986 HD22 LEU 62 -7.166 22.737 -7.836 1.00 62.51 ATOM 987 HD23 LEU 62 -8.540 23.583 -8.547 1.00 24.12 ATOM 988 C LEU 62 -12.869 22.149 -8.046 1.00 51.44 ATOM 989 O LEU 62 -13.196 23.330 -8.160 1.00 53.32 ATOM 990 N ALA 63 -13.539 21.155 -8.619 1.00 32.43 ATOM 991 HN ALA 63 -13.219 20.228 -8.518 1.00 37.52 ATOM 992 CA ALA 63 -14.725 21.400 -9.430 1.00 33.52 ATOM 993 HA ALA 63 -14.439 22.025 -10.266 1.00 22.34 ATOM 994 CB ALA 63 -15.264 20.090 -9.986 1.00 63.15 ATOM 995 HB1 ALA 63 -14.488 19.597 -10.553 1.00 40.42 ATOM 996 HB2 ALA 63 -16.108 20.288 -10.632 1.00 4.44 ATOM 997 HB3 ALA 63 -15.575 19.449 -9.172 1.00 13.12 ATOM 998 C ALA 63 -15.803 22.117 -8.624 1.00 20.22 ATOM 999 O ALA 63 -16.545 22.943 -9.157 1.00 61.10 ATOM 1000 N LEU 64 -15.885 21.796 -7.337 1.00 62.14 ATOM 1001 HN LEU 64 -15.276 21.121 -6.962 1.00 37.52 ATOM 1002 CA LEU 64 -16.873 22.410 -6.457 1.00 72.42 ATOM 1003 HA LEU 64 -17.803 22.517 -7.003 1.00 23.05 ATOM 1004 CB LEU 64 -17.125 21.517 -5.240 1.00 52.54 ATOM 1005 HB1 LEU 64 -16.163 21.332 -4.782 1.00 37.52 ATOM 1006 HB2 LEU 64 -17.504 20.567 -5.601 1.00 11.45 ATOM 1007 CG LEU 64 -18.083 22.074 -4.187 1.00 10.44 ATOM 1008 HG LEU 64 -18.126 23.151 -4.244 1.00 73.35 ATOM 1009 CD1 LEU 64 -19.494 21.557 -4.421 1.00 42.21 ATOM 1010 HD11 LEU 64 -19.613 20.568 -3.999 1.00 42.35 ATOM 1011 HD12 LEU 64 -19.701 21.516 -5.484 1.00 34.23 ATOM 1012 HD13 LEU 64 -20.188 22.231 -3.964 1.00 31.31 ATOM 1013 CD2 LEU 64 -17.606 21.712 -2.788 1.00 1.43 ATOM 1014 HD21 LEU 64 -18.078 20.811 -2.457 1.00 33.53 ATOM 1015 HD22 LEU 64 -17.875 22.510 -2.113 1.00 34.02 ATOM 1016 HD23 LEU 64 -16.531 21.587 -2.763 1.00 71.31 ATOM 1017 C LEU 64 -16.414 23.791 -6.003 1.00 11.34 ATOM 1018 O LEU 64 -17.171 24.760 -6.065 1.00 11.23 ATOM 1019 N VAL 65 -15.168 23.875 -5.547 1.00 51.21 ATOM 1020 HN VAL 65 -14.610 23.065 -5.537 1.00 37.52 ATOM 1021 CA VAL 65 -14.606 25.139 -5.085 1.00 74.12 ATOM 1022 HA VAL 65 -15.126 25.427 -4.182 1.00 54.22 ATOM 1023 CB VAL 65 -13.107 25.002 -4.762 1.00 64.24 ATOM 1024 HB VAL 65 -12.590 24.696 -5.661 1.00 64.51 ATOM 1025 CG1 VAL 65 -12.533 26.337 -4.313 1.00 22.22 ATOM 1026 HG11 VAL 65 -12.447 26.985 -5.165 1.00 12.34 ATOM 1027 HG12 VAL 65 -11.554 26.194 -3.878 1.00 24.11 ATOM 1028 HG13 VAL 65 -13.178 26.791 -3.582 1.00 41.40 ATOM 1029 CG2 VAL 65 -12.886 23.933 -3.703 1.00 3.15 ATOM 1030 HG21 VAL 65 -11.855 23.930 -3.406 1.00 4.52 ATOM 1031 HG22 VAL 65 -13.140 22.966 -4.100 1.00 64.42 ATOM 1032 HG23 VAL 65 -13.503 24.140 -2.839 1.00 14.10 ATOM 1033 C VAL 65 -14.793 26.236 -6.127 1.00 4.42 ATOM 1034 O VAL 65 -14.977 27.405 -5.786 1.00 20.11 ATOM 1035 N ARG 66 -14.744 25.852 -7.398 1.00 44.52 ATOM 1036 HN ARG 66 -14.566 24.909 -7.620 1.00 37.52 ATOM 1037 CA ARG 66 -14.906 26.804 -8.490 1.00 53.25 ATOM 1038 HA ARG 66 -14.291 27.673 -8.281 1.00 43.12 ATOM 1039 CB ARG 66 -14.452 26.180 -9.811 1.00 72.22 ATOM 1040 HB1 ARG 66 -14.811 26.790 -10.634 1.00 37.52 ATOM 1041 HB2 ARG 66 -14.881 25.191 -9.895 1.00 51.12 ATOM 1042 CG ARG 66 -12.943 26.058 -9.940 1.00 44.32 ATOM 1043 HG1 ARG 66 -12.577 25.383 -9.186 1.00 37.52 ATOM 1044 HG2 ARG 66 -12.502 27.035 -9.792 1.00 74.44 ATOM 1045 CD ARG 66 -12.541 25.538 -11.312 1.00 2.25 ATOM 1046 HD1 ARG 66 -13.267 25.860 -12.051 1.00 37.52 ATOM 1047 HD2 ARG 66 -12.522 24.459 -11.278 1.00 25.00 ATOM 1048 NE ARG 66 -11.223 26.021 -11.715 1.00 50.05 ATOM 1049 HE ARG 66 -10.741 26.621 -11.098 1.00 11.34 ATOM 1050 CZ ARG 66 -10.642 25.696 -12.865 1.00 2.11 ATOM 1051 NH1 ARG 66 -11.259 24.892 -13.720 1.00 11.33 ATOM 1052 HH11 ARG 66 -12.164 24.517 -13.521 1.00 44.14 ATOM 1053 HH12 ARG 66 -10.813 24.652 -14.585 1.00 42.11 ATOM 1054 NH2 ARG 66 -9.441 26.176 -13.161 1.00 62.14 ATOM 1055 HH21 ARG 66 -8.969 26.784 -12.519 1.00 14.35 ATOM 1056 HH22 ARG 66 -9.000 25.932 -14.028 1.00 72.34 ATOM 1057 C ARG 66 -16.358 27.259 -8.603 1.00 53.43 ATOM 1058 O ARG 66 -16.634 28.415 -8.925 1.00 3.53 ATOM 1059 N ASP 67 -17.282 26.343 -8.338 1.00 34.24 ATOM 1060 HN ASP 67 -17.008 25.428 -8.105 1.00 37.52 ATOM 1061 CA ASP 67 -18.706 26.650 -8.409 1.00 33.44 ATOM 1062 HA ASP 67 -18.881 27.193 -9.331 1.00 4.23 ATOM 1063 CB ASP 67 -19.528 25.360 -8.417 1.00 61.55 ATOM 1064 HB1 ASP 67 -19.623 24.974 -7.410 1.00 37.52 ATOM 1065 HB2 ASP 67 -19.023 24.624 -9.027 1.00 42.50 ATOM 1066 CG ASP 67 -20.918 25.562 -8.988 1.00 1.34 ATOM 1067 OD1 ASP 67 -21.070 26.408 -9.893 1.00 43.41 ATOM 1068 OD2 ASP 67 -21.854 24.875 -8.528 1.00 13.55 ATOM 1069 C ASP 67 -19.132 27.530 -7.238 1.00 5.12 ATOM 1070 O ASP 67 -19.885 28.488 -7.411 1.00 14.20 ATOM 1071 N ILE 68 -18.644 27.198 -6.047 1.00 52.20 ATOM 1072 HN ILE 68 -18.030 26.432 -5.979 1.00 37.52 ATOM 1073 CA ILE 68 -18.974 27.959 -4.848 1.00 71.12 ATOM 1074 HA ILE 68 -20.027 27.815 -4.641 1.00 32.13 ATOM 1075 CB ILE 68 -18.166 27.471 -3.632 1.00 22.44 ATOM 1076 HB ILE 68 -17.114 27.610 -3.849 1.00 2.43 ATOM 1077 CG1 ILE 68 -18.437 25.987 -3.374 1.00 11.14 ATOM 1078 HG11 ILE 68 -18.506 25.445 -4.297 1.00 37.52 ATOM 1079 HG12 ILE 68 -19.377 25.880 -2.849 1.00 54.04 ATOM 1080 CG2 ILE 68 -18.507 28.299 -2.402 1.00 33.21 ATOM 1081 HG21 ILE 68 -19.580 28.328 -2.263 1.00 32.12 ATOM 1082 HG22 ILE 68 -18.130 29.304 -2.517 1.00 3.52 ATOM 1083 HG23 ILE 68 -18.049 27.856 -1.527 1.00 62.24 ATOM 1084 CD1 ILE 68 -17.372 25.315 -2.536 1.00 31.23 ATOM 1085 HD11 ILE 68 -16.845 24.592 -3.141 1.00 2.15 ATOM 1086 HD12 ILE 68 -17.840 24.807 -1.706 1.00 4.05 ATOM 1087 HD13 ILE 68 -16.668 26.044 -2.154 1.00 50.43 ATOM 1088 C ILE 68 -18.714 29.447 -5.053 1.00 12.52 ATOM 1089 O ILE 68 -19.514 30.289 -4.645 1.00 12.53 ATOM 1090 N ARG 69 -17.591 29.765 -5.689 1.00 72.50 ATOM 1091 HN ARG 69 -16.983 29.048 -5.989 1.00 37.52 ATOM 1092 CA ARG 69 -17.226 31.152 -5.949 1.00 21.22 ATOM 1093 HA ARG 69 -17.287 31.692 -5.016 1.00 12.53 ATOM 1094 CB ARG 69 -15.793 31.234 -6.478 1.00 22.43 ATOM 1095 HB1 ARG 69 -15.772 30.877 -7.500 1.00 37.52 ATOM 1096 HB2 ARG 69 -15.169 30.589 -5.885 1.00 42.24 ATOM 1097 CG ARG 69 -15.216 32.640 -6.459 1.00 70.20 ATOM 1098 HG1 ARG 69 -15.585 33.173 -5.591 1.00 37.52 ATOM 1099 HG2 ARG 69 -15.524 33.156 -7.356 1.00 60.41 ATOM 1100 CD ARG 69 -13.697 32.618 -6.404 1.00 25.03 ATOM 1101 HD1 ARG 69 -13.329 32.177 -7.312 1.00 37.52 ATOM 1102 HD2 ARG 69 -13.384 32.012 -5.569 1.00 63.23 ATOM 1103 NE ARG 69 -13.135 33.957 -6.248 1.00 52.22 ATOM 1104 HE ARG 69 -12.869 34.232 -5.343 1.00 22.13 ATOM 1105 CZ ARG 69 -12.970 34.806 -7.256 1.00 45.32 ATOM 1106 NH1 ARG 69 -13.321 34.457 -8.486 1.00 62.01 ATOM 1107 HH11 ARG 69 -13.726 33.569 -8.683 1.00 30.45 ATOM 1108 HH12 ARG 69 -13.147 35.081 -9.242 1.00 72.42 ATOM 1109 NH2 ARG 69 -12.452 36.008 -7.035 1.00 20.10 ATOM 1110 HH21 ARG 69 -12.184 36.278 -6.108 1.00 72.22 ATOM 1111 HH22 ARG 69 -12.326 36.650 -7.794 1.00 64.11 ATOM 1112 C ARG 69 -18.186 31.789 -6.950 1.00 21.54 ATOM 1113 O ARG 69 -18.543 32.960 -6.823 1.00 60.12 ATOM 1114 N ARG 70 -18.599 31.009 -7.944 1.00 11.15 ATOM 1115 HN ARG 70 -18.270 30.081 -8.005 1.00 37.52 ATOM 1116 CA ARG 70 -19.516 31.497 -8.967 1.00 2.14 ATOM 1117 HA ARG 70 -19.071 32.367 -9.433 1.00 73.53 ATOM 1118 CB ARG 70 -19.737 30.426 -10.036 1.00 42.25 ATOM 1119 HB1 ARG 70 -20.144 29.544 -9.566 1.00 37.52 ATOM 1120 HB2 ARG 70 -18.783 30.170 -10.478 1.00 25.02 ATOM 1121 CG ARG 70 -20.694 30.853 -11.137 1.00 41.33 ATOM 1122 HG1 ARG 70 -21.567 31.331 -10.720 1.00 37.52 ATOM 1123 HG2 ARG 70 -21.004 29.968 -11.674 1.00 23.25 ATOM 1124 CD ARG 70 -20.023 31.797 -12.124 1.00 30.53 ATOM 1125 HD1 ARG 70 -20.462 31.634 -13.098 1.00 37.52 ATOM 1126 HD2 ARG 70 -18.962 31.585 -12.176 1.00 4.10 ATOM 1127 NE ARG 70 -20.211 33.197 -11.756 1.00 3.34 ATOM 1128 HE ARG 70 -20.701 33.394 -10.923 1.00 64.42 ATOM 1129 CZ ARG 70 -19.758 34.214 -12.480 1.00 54.54 ATOM 1130 NH1 ARG 70 -19.096 33.988 -13.606 1.00 61.33 ATOM 1131 HH11 ARG 70 -18.925 33.059 -13.931 1.00 63.03 ATOM 1132 HH12 ARG 70 -18.758 34.762 -14.146 1.00 35.51 ATOM 1133 NH2 ARG 70 -19.969 35.462 -12.080 1.00 21.25 ATOM 1134 HH21 ARG 70 -20.470 35.641 -11.231 1.00 71.44 ATOM 1135 HH22 ARG 70 -19.628 36.231 -12.625 1.00 51.45 ATOM 1136 C ARG 70 -20.853 31.900 -8.351 1.00 43.02 ATOM 1137 O ARG 70 -21.362 32.991 -8.608 1.00 70.03 ATOM 1138 N ARG 71 -21.416 31.012 -7.538 1.00 44.13 ATOM 1139 HN ARG 71 -20.958 30.153 -7.369 1.00 37.52 ATOM 1140 CA ARG 71 -22.694 31.274 -6.888 1.00 2.32 ATOM 1141 HA ARG 71 -23.415 31.542 -7.652 1.00 13.24 ATOM 1142 CB ARG 71 -23.184 30.023 -6.157 1.00 12.34 ATOM 1143 HB1 ARG 71 -23.985 30.303 -5.480 1.00 37.52 ATOM 1144 HB2 ARG 71 -22.366 29.615 -5.579 1.00 2.21 ATOM 1145 CG ARG 71 -23.696 28.936 -7.087 1.00 21.53 ATOM 1146 HG1 ARG 71 -22.862 28.316 -7.383 1.00 37.52 ATOM 1147 HG2 ARG 71 -24.129 29.392 -7.964 1.00 31.41 ATOM 1148 CD ARG 71 -24.736 28.062 -6.403 1.00 71.11 ATOM 1149 HD1 ARG 71 -24.499 27.971 -5.350 1.00 37.52 ATOM 1150 HD2 ARG 71 -24.708 27.078 -6.851 1.00 40.15 ATOM 1151 NE ARG 71 -26.084 28.609 -6.537 1.00 63.22 ATOM 1152 HE ARG 71 -26.512 28.958 -5.724 1.00 33.24 ATOM 1153 CZ ARG 71 -26.746 28.656 -7.687 1.00 54.14 ATOM 1154 NH1 ARG 71 -26.189 28.191 -8.797 1.00 52.31 ATOM 1155 HH11 ARG 71 -25.279 27.790 -8.804 1.00 71.54 ATOM 1156 HH12 ARG 71 -26.697 28.243 -9.659 1.00 1.03 ATOM 1157 NH2 ARG 71 -27.970 29.169 -7.729 1.00 64.21 ATOM 1158 HH21 ARG 71 -28.397 29.522 -6.894 1.00 30.04 ATOM 1159 HH22 ARG 71 -28.472 29.206 -8.596 1.00 54.11 ATOM 1160 C ARG 71 -22.576 32.437 -5.906 1.00 61.24 ATOM 1161 O ARG 71 -23.563 33.102 -5.595 1.00 21.23 ATOM 1162 N GLY 72 -21.361 32.675 -5.422 1.00 43.33 ATOM 1163 HN GLY 72 -20.604 32.101 -5.659 1.00 37.52 ATOM 1164 CA GLY 72 -21.136 33.757 -4.481 1.00 72.20 ATOM 1165 HA1 GLY 72 -20.313 33.483 -3.840 1.00 37.52 ATOM 1166 HA2 GLY 72 -22.015 33.905 -3.865 1.00 34.23 ATOM 1167 C GLY 72 -20.793 35.063 -5.170 1.00 30.24 ATOM 1168 O GLY 72 -20.904 36.135 -4.575 1.00 53.21 ATOM 1169 N LYS 73 -20.373 34.974 -6.427 1.00 3.30 ATOM 1170 HN LYS 73 -20.295 34.098 -6.859 1.00 37.52 ATOM 1171 CA LYS 73 -20.011 36.157 -7.198 1.00 51.55 ATOM 1172 HA LYS 73 -19.731 36.948 -6.509 1.00 51.21 ATOM 1173 CB LYS 73 -18.821 35.853 -8.111 1.00 22.42 ATOM 1174 HB1 LYS 73 -19.182 35.463 -9.056 1.00 37.52 ATOM 1175 HB2 LYS 73 -18.205 35.103 -7.642 1.00 71.20 ATOM 1176 CG LYS 73 -17.933 37.056 -8.376 1.00 13.45 ATOM 1177 HG1 LYS 73 -17.294 37.217 -7.519 1.00 37.52 ATOM 1178 HG2 LYS 73 -18.559 37.929 -8.520 1.00 12.13 ATOM 1179 CD LYS 73 -17.094 36.866 -9.628 1.00 21.23 ATOM 1180 HD1 LYS 73 -16.971 37.832 -10.096 1.00 37.52 ATOM 1181 HD2 LYS 73 -17.595 36.199 -10.319 1.00 31.24 ATOM 1182 CE LYS 73 -15.723 36.296 -9.298 1.00 61.43 ATOM 1183 HE1 LYS 73 -15.776 35.219 -9.353 1.00 37.52 ATOM 1184 HE2 LYS 73 -15.429 36.589 -8.297 1.00 53.34 ATOM 1185 NZ LYS 73 -14.680 36.773 -10.248 1.00 55.53 ATOM 1186 HZ1 LYS 73 -14.459 36.025 -10.936 1.00 40.54 ATOM 1187 HZ2 LYS 73 -13.812 37.013 -9.730 1.00 12.11 ATOM 1188 HZ3 LYS 73 -14.991 37.622 -10.768 1.00 55.55 ATOM 1189 C LYS 73 -21.192 36.645 -8.032 1.00 2.52 ATOM 1190 O LYS 73 -21.480 37.841 -8.076 1.00 60.44 ATOM 1191 N ASN 74 -21.872 35.712 -8.689 1.00 52.13 ATOM 1192 HN ASN 74 -21.587 34.771 -8.626 1.00 37.52 ATOM 1193 CA ASN 74 -23.023 36.048 -9.520 1.00 64.14 ATOM 1194 HA ASN 74 -22.678 36.672 -10.332 1.00 3.32 ATOM 1195 CB ASN 74 -23.645 34.778 -10.103 1.00 70.44 ATOM 1196 HB1 ASN 74 -22.860 34.079 -10.359 1.00 37.52 ATOM 1197 HB2 ASN 74 -24.187 35.039 -11.001 1.00 24.31 ATOM 1198 CG ASN 74 -24.593 34.100 -9.133 1.00 11.22 ATOM 1199 OD1 ASN 74 -24.271 33.916 -7.959 1.00 44.11 ATOM 1200 ND2 ASN 74 -25.770 33.725 -9.620 1.00 52.31 ATOM 1201 HD21 ASN 74 -25.976 33.897 -10.567 1.00 44.22 ATOM 1202 HD22 ASN 74 -26.396 33.285 -9.007 1.00 64.32 ATOM 1203 C ASN 74 -24.067 36.817 -8.718 1.00 14.32 ATOM 1204 O ASN 74 -24.850 37.588 -9.274 1.00 3.52 ATOM 1205 N LYS 75 -24.074 36.603 -7.407 1.00 31.34 ATOM 1206 HN LYS 75 -23.470 35.935 -7.014 1.00 37.52 ATOM 1207 CA LYS 75 -25.020 37.276 -6.525 1.00 55.44 ATOM 1208 HA LYS 75 -26.018 37.119 -6.915 1.00 14.33 ATOM 1209 CB LYS 75 -24.946 36.685 -5.116 1.00 2.53 ATOM 1210 HB1 LYS 75 -23.941 36.825 -4.737 1.00 37.52 ATOM 1211 HB2 LYS 75 -25.152 35.625 -5.176 1.00 11.33 ATOM 1212 CG LYS 75 -25.935 37.305 -4.143 1.00 45.13 ATOM 1213 HG1 LYS 75 -26.880 36.790 -4.246 1.00 37.52 ATOM 1214 HG2 LYS 75 -26.074 38.354 -4.358 1.00 74.41 ATOM 1215 CD LYS 75 -25.459 37.174 -2.706 1.00 14.41 ATOM 1216 HD1 LYS 75 -24.574 37.779 -2.574 1.00 37.52 ATOM 1217 HD2 LYS 75 -25.225 36.138 -2.499 1.00 12.52 ATOM 1218 CE LYS 75 -26.524 37.636 -1.723 1.00 34.32 ATOM 1219 HE1 LYS 75 -26.238 37.313 -0.733 1.00 37.52 ATOM 1220 HE2 LYS 75 -27.474 37.187 -1.983 1.00 24.14 ATOM 1221 NZ LYS 75 -26.671 39.118 -1.719 1.00 31.41 ATOM 1222 HZ1 LYS 75 -26.958 39.456 -2.661 1.00 71.42 ATOM 1223 HZ2 LYS 75 -25.770 39.571 -1.459 1.00 23.44 ATOM 1224 HZ3 LYS 75 -27.396 39.400 -1.028 1.00 52.21 ATOM 1225 C LYS 75 -24.744 38.776 -6.475 1.00 34.32 ATOM 1226 O LYS 75 -25.629 39.589 -6.740 1.00 53.43 ATOM 1227 N VAL 76 -23.511 39.135 -6.134 1.00 22.44 ATOM 1228 HN VAL 76 -22.847 38.435 -5.932 1.00 37.52 ATOM 1229 CA VAL 76 -23.118 40.536 -6.051 1.00 45.10 ATOM 1230 HA VAL 76 -23.889 41.072 -5.505 1.00 61.23 ATOM 1231 CB VAL 76 -21.786 40.702 -5.295 1.00 62.21 ATOM 1232 HB VAL 76 -21.860 40.173 -4.356 1.00 62.03 ATOM 1233 CG1 VAL 76 -20.640 40.097 -6.093 1.00 12.44 ATOM 1234 HG11 VAL 76 -20.494 40.629 -7.020 1.00 53.24 ATOM 1235 HG12 VAL 76 -20.843 39.064 -6.294 1.00 34.54 ATOM 1236 HG13 VAL 76 -19.733 40.161 -5.507 1.00 52.33 ATOM 1237 CG2 VAL 76 -21.522 42.170 -4.997 1.00 12.04 ATOM 1238 HG21 VAL 76 -22.354 42.584 -4.445 1.00 11.44 ATOM 1239 HG22 VAL 76 -21.394 42.719 -5.919 1.00 32.53 ATOM 1240 HG23 VAL 76 -20.624 42.259 -4.402 1.00 54.24 ATOM 1241 C VAL 76 -22.981 41.151 -7.439 1.00 53.42 ATOM 1242 O VAL 76 -23.213 42.346 -7.625 1.00 63.44 ATOM 1243 N ALA 77 -22.605 40.327 -8.411 1.00 43.23 ATOM 1244 HN ALA 77 -22.417 39.383 -8.206 1.00 37.52 ATOM 1245 CA ALA 77 -22.440 40.790 -9.784 1.00 30.52 ATOM 1246 HA ALA 77 -21.696 41.576 -9.789 1.00 25.42 ATOM 1247 CB ALA 77 -21.932 39.658 -10.665 1.00 21.34 ATOM 1248 HB1 ALA 77 -21.008 39.276 -10.258 1.00 32.41 ATOM 1249 HB2 ALA 77 -21.756 40.026 -11.666 1.00 63.12 ATOM 1250 HB3 ALA 77 -22.665 38.864 -10.696 1.00 22.33 ATOM 1251 C ALA 77 -23.748 41.346 -10.336 1.00 61.03 ATOM 1252 O ALA 77 -23.746 42.174 -11.246 1.00 44.33 ATOM 1253 N ALA 78 -24.863 40.885 -9.781 1.00 35.44 ATOM 1254 HN ALA 78 -24.817 40.182 -9.095 1.00 37.52 ATOM 1255 CA ALA 78 -26.178 41.338 -10.217 1.00 73.52 ATOM 1256 HA ALA 78 -26.340 40.975 -11.222 1.00 1.20 ATOM 1257 CB ALA 78 -27.262 40.752 -9.323 1.00 42.44 ATOM 1258 HB1 ALA 78 -28.235 41.047 -9.690 1.00 45.11 ATOM 1259 HB2 ALA 78 -27.133 41.111 -8.311 1.00 62.41 ATOM 1260 HB3 ALA 78 -27.188 39.675 -9.332 1.00 65.15 ATOM 1261 C ALA 78 -26.260 42.860 -10.223 1.00 53.24 ATOM 1262 O ALA 78 -26.846 43.455 -11.127 1.00 74.14 ATOM 1263 N GLN 79 -25.670 43.484 -9.209 1.00 41.22 ATOM 1264 HN GLN 79 -25.217 42.957 -8.509 1.00 37.52 ATOM 1265 CA GLN 79 -25.678 44.938 -9.098 1.00 52.14 ATOM 1266 HA GLN 79 -26.673 45.295 -9.338 1.00 4.22 ATOM 1267 CB GLN 79 -25.341 45.364 -7.668 1.00 63.44 ATOM 1268 HB1 GLN 79 -25.346 46.447 -7.618 1.00 37.52 ATOM 1269 HB2 GLN 79 -24.352 45.005 -7.419 1.00 11.43 ATOM 1270 CG GLN 79 -26.313 44.830 -6.629 1.00 73.12 ATOM 1271 HG1 GLN 79 -26.127 43.774 -6.498 1.00 37.52 ATOM 1272 HG2 GLN 79 -27.325 44.970 -6.989 1.00 12.45 ATOM 1273 CD GLN 79 -26.164 45.514 -5.285 1.00 31.24 ATOM 1274 OE1 GLN 79 -25.088 45.503 -4.686 1.00 12.52 ATOM 1275 NE2 GLN 79 -27.246 46.114 -4.802 1.00 30.20 ATOM 1276 HE21 GLN 79 -28.081 46.092 -5.321 1.00 13.24 ATOM 1277 HE22 GLN 79 -27.168 46.562 -3.934 1.00 32.24 ATOM 1278 C GLN 79 -24.688 45.564 -10.075 1.00 10.11 ATOM 1279 O GLN 79 -24.894 46.679 -10.553 1.00 24.21 ATOM 1280 N ASN 80 -23.613 44.839 -10.366 1.00 60.03 ATOM 1281 HN ASN 80 -23.480 43.967 -9.941 1.00 37.52 ATOM 1282 CA ASN 80 -22.590 45.324 -11.285 1.00 41.15 ATOM 1283 HA ASN 80 -22.660 46.404 -11.359 1.00 31.30 ATOM 1284 CB ASN 80 -21.196 44.964 -10.767 1.00 13.15 ATOM 1285 HB1 ASN 80 -20.455 45.230 -11.511 1.00 37.52 ATOM 1286 HB2 ASN 80 -21.148 43.900 -10.588 1.00 61.21 ATOM 1287 CG ASN 80 -20.850 45.696 -9.485 1.00 2.35 ATOM 1288 OD1 ASN 80 -20.467 46.866 -9.509 1.00 10.22 ATOM 1289 ND2 ASN 80 -20.983 45.009 -8.356 1.00 64.33 ATOM 1290 HD21 ASN 80 -21.293 44.076 -8.396 1.00 74.51 ATOM 1291 HD22 ASN 80 -20.764 45.465 -7.517 1.00 1.03 ATOM 1292 C ASN 80 -22.792 44.741 -12.681 1.00 25.02 ATOM 1293 O ASN 80 -21.829 44.385 -13.361 1.00 71.12 ATOM 1294 N TYR 81 -24.048 44.647 -13.101 1.00 33.04 ATOM 1295 HN TYR 81 -24.782 44.979 -12.547 1.00 37.52 ATOM 1296 CA TYR 81 -24.377 44.106 -14.414 1.00 21.51 ATOM 1297 HA TYR 81 -23.498 43.616 -14.822 1.00 61.05 ATOM 1298 CB TYR 81 -25.503 43.077 -14.297 1.00 61.24 ATOM 1299 HB1 TYR 81 -26.466 43.575 -14.344 1.00 37.52 ATOM 1300 HB2 TYR 81 -25.422 42.578 -13.338 1.00 74.44 ATOM 1301 CG TYR 81 -25.459 42.007 -15.365 1.00 41.55 ATOM 1302 CD1 TYR 81 -24.461 41.041 -15.368 1.00 43.25 ATOM 1303 HD1 TYR 81 -23.706 41.058 -14.594 1.00 24.20 ATOM 1304 CD2 TYR 81 -26.417 41.963 -16.371 1.00 63.02 ATOM 1305 HD2 TYR 81 -27.203 42.706 -16.386 1.00 4.41 ATOM 1306 CE1 TYR 81 -24.416 40.063 -16.343 1.00 34.02 ATOM 1307 HE1 TYR 81 -23.632 39.321 -16.327 1.00 61.35 ATOM 1308 CE2 TYR 81 -26.381 40.987 -17.349 1.00 11.42 ATOM 1309 HE2 TYR 81 -27.135 40.970 -18.122 1.00 13.23 ATOM 1310 CZ TYR 81 -25.379 40.040 -17.331 1.00 2.14 ATOM 1311 OH TYR 81 -25.339 39.066 -18.302 1.00 40.42 ATOM 1312 HH TYR 81 -25.610 38.221 -17.929 1.00 13.11 ATOM 1313 C TYR 81 -24.786 45.218 -15.375 1.00 33.42 ATOM 1314 O TYR 81 -25.053 46.345 -14.959 1.00 42.42 ATOM 1315 N ARG 82 -24.834 44.890 -16.662 1.00 13.50 ATOM 1316 HN ARG 82 -24.600 43.976 -16.939 1.00 37.52 ATOM 1317 CA ARG 82 -25.211 45.861 -17.683 1.00 65.53 ATOM 1318 HA ARG 82 -24.882 46.845 -17.368 1.00 55.13 ATOM 1319 CB ARG 82 -24.528 45.526 -19.011 1.00 34.50 ATOM 1320 HB1 ARG 82 -23.473 45.371 -18.825 1.00 37.52 ATOM 1321 HB2 ARG 82 -24.646 46.364 -19.683 1.00 74.12 ATOM 1322 CG ARG 82 -25.090 44.287 -19.689 1.00 34.31 ATOM 1323 HG1 ARG 82 -26.093 44.493 -20.035 1.00 37.52 ATOM 1324 HG2 ARG 82 -25.114 43.472 -18.981 1.00 52.41 ATOM 1325 CD ARG 82 -24.240 43.868 -20.878 1.00 53.43 ATOM 1326 HD1 ARG 82 -24.371 42.806 -21.029 1.00 37.52 ATOM 1327 HD2 ARG 82 -23.196 44.070 -20.672 1.00 74.22 ATOM 1328 NE ARG 82 -24.629 44.566 -22.101 1.00 60.22 ATOM 1329 HE ARG 82 -25.341 45.245 -22.039 1.00 64.32 ATOM 1330 CZ ARG 82 -24.075 44.335 -23.286 1.00 40.43 ATOM 1331 NH1 ARG 82 -23.114 43.430 -23.408 1.00 4.52 ATOM 1332 HH11 ARG 82 -22.789 42.908 -22.621 1.00 10.52 ATOM 1333 HH12 ARG 82 -22.702 43.262 -24.306 1.00 1.14 ATOM 1334 NH2 ARG 82 -24.483 45.011 -24.353 1.00 61.32 ATOM 1335 HH21 ARG 82 -25.209 45.696 -24.268 1.00 25.54 ATOM 1336 HH22 ARG 82 -24.067 44.839 -25.248 1.00 73.25 ATOM 1337 C ARG 82 -26.724 45.893 -17.871 1.00 35.01 ATOM 1338 O ARG 82 -27.446 45.052 -17.334 1.00 61.24 ATOM 1339 N LYS 83 -27.200 46.870 -18.636 1.00 2.25 ATOM 1340 HN LYS 83 -26.581 47.517 -19.045 1.00 37.52 ATOM 1341 CA LYS 83 -28.627 47.013 -18.896 1.00 14.35 ATOM 1342 HA LYS 83 -29.163 46.233 -18.363 1.00 24.33 ATOM 1343 CB LYS 83 -29.123 48.373 -18.398 1.00 54.04 ATOM 1344 HB1 LYS 83 -30.028 48.639 -18.932 1.00 37.52 ATOM 1345 HB2 LYS 83 -28.373 49.125 -18.608 1.00 24.30 ATOM 1346 CG LYS 83 -29.452 48.396 -16.916 1.00 20.44 ATOM 1347 HG1 LYS 83 -29.842 47.430 -16.619 1.00 37.52 ATOM 1348 HG2 LYS 83 -30.212 49.146 -16.741 1.00 70.30 ATOM 1349 CD LYS 83 -28.223 48.705 -16.077 1.00 32.32 ATOM 1350 HD1 LYS 83 -27.337 48.297 -16.543 1.00 37.52 ATOM 1351 HD2 LYS 83 -28.351 48.252 -15.105 1.00 22.33 ATOM 1352 CE LYS 83 -28.038 50.203 -15.890 1.00 72.21 ATOM 1353 HE1 LYS 83 -28.999 50.664 -15.695 1.00 37.52 ATOM 1354 HE2 LYS 83 -27.620 50.616 -16.795 1.00 30.15 ATOM 1355 NZ LYS 83 -27.126 50.512 -14.755 1.00 24.33 ATOM 1356 HZ1 LYS 83 -27.510 50.128 -13.866 1.00 64.44 ATOM 1357 HZ2 LYS 83 -27.022 51.542 -14.654 1.00 22.20 ATOM 1358 HZ3 LYS 83 -26.185 50.097 -14.923 1.00 55.33 ATOM 1359 C LYS 83 -28.927 46.864 -20.384 1.00 10.13 ATOM 1360 O LYS 83 -28.238 47.439 -21.226 1.00 4.51 ATOM 1361 N ARG 84 -29.960 46.090 -20.700 1.00 22.20 ATOM 1362 HN ARG 84 -30.477 45.659 -19.979 1.00 37.52 ATOM 1363 CA ARG 84 -30.350 45.866 -22.087 1.00 34.14 ATOM 1364 HA ARG 84 -29.455 45.661 -22.663 1.00 5.40 ATOM 1365 CB ARG 84 -31.281 44.656 -22.188 1.00 21.14 ATOM 1366 HB1 ARG 84 -30.791 43.815 -21.715 1.00 37.52 ATOM 1367 HB2 ARG 84 -31.443 44.426 -23.232 1.00 31.33 ATOM 1368 CG ARG 84 -32.635 44.872 -21.531 1.00 5.01 ATOM 1369 HG1 ARG 84 -33.261 45.436 -22.207 1.00 37.52 ATOM 1370 HG2 ARG 84 -32.507 45.430 -20.614 1.00 53.32 ATOM 1371 CD ARG 84 -33.320 43.551 -21.220 1.00 74.24 ATOM 1372 HD1 ARG 84 -32.580 42.778 -21.045 1.00 37.52 ATOM 1373 HD2 ARG 84 -33.923 43.274 -22.071 1.00 13.41 ATOM 1374 NE ARG 84 -34.188 43.647 -20.050 1.00 34.42 ATOM 1375 HE ARG 84 -35.158 43.616 -20.205 1.00 11.25 ATOM 1376 CZ ARG 84 -33.735 43.772 -18.807 1.00 55.34 ATOM 1377 NH1 ARG 84 -32.431 43.818 -18.575 1.00 61.43 ATOM 1378 HH11 ARG 84 -31.763 43.757 -19.310 1.00 30.30 ATOM 1379 HH12 ARG 84 -32.103 43.918 -17.633 1.00 34.51 ATOM 1380 NH2 ARG 84 -34.588 43.853 -17.794 1.00 53.51 ATOM 1381 HH21 ARG 84 -35.575 43.820 -17.963 1.00 75.12 ATOM 1382 HH22 ARG 84 -34.249 43.947 -16.856 1.00 25.14 ATOM 1383 C ARG 84 -31.038 47.100 -22.664 1.00 32.43 ATOM 1384 O ARG 84 -31.647 47.883 -21.935 1.00 33.45 ATOM 1385 N LYS 85 -30.936 47.267 -23.978 1.00 13.01 ATOM 1386 HN LYS 85 -30.446 46.601 -24.517 1.00 37.52 ATOM 1387 CA LYS 85 -31.548 48.404 -24.655 1.00 14.34 ATOM 1388 HA LYS 85 -31.783 49.166 -23.918 1.00 33.44 ATOM 1389 CB LYS 85 -30.571 49.009 -25.666 1.00 34.25 ATOM 1390 HB1 LYS 85 -30.338 48.262 -26.414 1.00 37.52 ATOM 1391 HB2 LYS 85 -29.656 49.275 -25.152 1.00 25.11 ATOM 1392 CG LYS 85 -31.115 50.235 -26.378 1.00 4.31 ATOM 1393 HG1 LYS 85 -32.154 50.104 -26.624 1.00 37.52 ATOM 1394 HG2 LYS 85 -30.554 50.368 -27.292 1.00 51.22 ATOM 1395 CD LYS 85 -30.952 51.488 -25.534 1.00 14.15 ATOM 1396 HD1 LYS 85 -29.898 51.671 -25.378 1.00 37.52 ATOM 1397 HD2 LYS 85 -31.438 51.336 -24.579 1.00 75.43 ATOM 1398 CE LYS 85 -31.568 52.702 -26.213 1.00 63.21 ATOM 1399 HE1 LYS 85 -32.416 52.394 -26.813 1.00 37.52 ATOM 1400 HE2 LYS 85 -30.825 53.155 -26.852 1.00 72.13 ATOM 1401 NZ LYS 85 -32.032 53.715 -25.225 1.00 62.22 ATOM 1402 HZ1 LYS 85 -31.233 54.048 -24.646 1.00 12.22 ATOM 1403 HZ2 LYS 85 -32.754 53.305 -24.597 1.00 33.04 ATOM 1404 HZ3 LYS 85 -32.447 54.530 -25.721 1.00 22.10 ATOM 1405 C LYS 85 -32.835 47.989 -25.361 1.00 10.12 ATOM 1406 O LYS 85 -32.899 46.928 -25.983 1.00 51.13 ATOM 1407 N LEU 86 -33.857 48.832 -25.262 1.00 32.23 ATOM 1408 HN LEU 86 -33.742 49.674 -24.760 1.00 37.52 ATOM 1409 CA LEU 86 -35.143 48.553 -25.893 1.00 24.12 ATOM 1410 HA LEU 86 -35.385 47.514 -25.730 1.00 44.31 ATOM 1411 CB LEU 86 -36.235 49.430 -25.279 1.00 33.22 ATOM 1412 HB1 LEU 86 -37.114 49.398 -25.914 1.00 37.52 ATOM 1413 HB2 LEU 86 -35.868 50.448 -25.268 1.00 42.04 ATOM 1414 CG LEU 86 -36.671 49.064 -23.860 1.00 31.15 ATOM 1415 HG LEU 86 -35.805 49.065 -23.214 1.00 62.32 ATOM 1416 CD1 LEU 86 -37.658 50.089 -23.323 1.00 42.30 ATOM 1417 HD11 LEU 86 -37.938 49.828 -22.311 1.00 51.41 ATOM 1418 HD12 LEU 86 -38.542 50.107 -23.946 1.00 2.45 ATOM 1419 HD13 LEU 86 -37.199 51.068 -23.324 1.00 24.12 ATOM 1420 CD2 LEU 86 -37.280 47.670 -23.831 1.00 61.53 ATOM 1421 HD21 LEU 86 -37.627 47.446 -22.831 1.00 60.40 ATOM 1422 HD22 LEU 86 -36.537 46.941 -24.115 1.00 43.13 ATOM 1423 HD23 LEU 86 -38.114 47.621 -24.517 1.00 21.32 ATOM 1424 C LEU 86 -35.072 48.788 -27.398 1.00 74.43 ATOM 1425 O LEU 86 -34.058 49.252 -27.917 1.00 24.05 ATOM 1426 N GLU 87 -36.159 48.465 -28.094 1.00 4.14 ATOM 1427 HN GLU 87 -36.932 48.077 -27.621 1.00 37.52 ATOM 1428 CA GLU 87 -36.220 48.643 -29.540 1.00 24.43 ATOM 1429 HA GLU 87 -35.382 48.119 -29.981 1.00 22.23 ATOM 1430 CB GLU 87 -37.516 48.049 -30.094 1.00 72.14 ATOM 1431 HB1 GLU 87 -37.545 47.002 -29.823 1.00 37.52 ATOM 1432 HB2 GLU 87 -37.518 48.127 -31.171 1.00 64.32 ATOM 1433 CG GLU 87 -38.770 48.721 -29.561 1.00 33.50 ATOM 1434 HG1 GLU 87 -38.926 49.639 -30.108 1.00 37.52 ATOM 1435 HG2 GLU 87 -38.647 48.949 -28.512 1.00 50.32 ATOM 1436 CD GLU 87 -40.006 47.856 -29.717 1.00 33.04 ATOM 1437 OE1 GLU 87 -40.499 47.724 -30.856 1.00 62.43 ATOM 1438 OE2 GLU 87 -40.481 47.311 -28.698 1.00 2.54 ATOM 1439 C GLU 87 -36.124 50.120 -29.911 1.00 70.41 ATOM 1440 O GLU 87 -35.943 50.979 -29.048 1.00 22.13 ATOM 1441 N THR 88 -36.247 50.408 -31.203 1.00 44.11 ATOM 1442 HN THR 88 -36.359 49.681 -31.857 1.00 37.52 ATOM 1443 CA THR 88 -36.172 51.780 -31.690 1.00 74.34 ATOM 1444 HA THR 88 -35.176 52.155 -31.491 1.00 40.21 ATOM 1445 CB THR 88 -36.428 51.851 -33.208 1.00 5.43 ATOM 1446 HB THR 88 -36.470 52.891 -33.512 1.00 4.50 ATOM 1447 OG1 THR 88 -37.673 51.221 -33.525 1.00 72.34 ATOM 1448 HG1 THR 88 -38.018 51.581 -34.346 1.00 64.04 ATOM 1449 CG2 THR 88 -35.302 51.178 -33.978 1.00 44.42 ATOM 1450 HG21 THR 88 -34.366 51.670 -33.756 1.00 44.54 ATOM 1451 HG22 THR 88 -35.501 51.248 -35.037 1.00 74.02 ATOM 1452 HG23 THR 88 -35.238 50.138 -33.694 1.00 44.31 ATOM 1453 C THR 88 -37.179 52.673 -30.975 1.00 34.45 ATOM 1454 O THR 88 -38.062 52.186 -30.267 1.00 24.32 ATOM 1455 N ILE 89 -37.042 53.981 -31.164 1.00 33.35 ATOM 1456 HN ILE 89 -36.323 54.316 -31.750 1.00 37.52 ATOM 1457 CA ILE 89 -37.942 54.941 -30.537 1.00 30.03 ATOM 1458 HA ILE 89 -38.436 54.461 -29.696 1.00 35.14 ATOM 1459 CB ILE 89 -37.175 56.165 -30.003 1.00 13.33 ATOM 1460 HB ILE 89 -36.788 56.725 -30.844 1.00 0.13 ATOM 1461 CG1 ILE 89 -36.002 55.718 -29.128 1.00 53.11 ATOM 1462 HG11 ILE 89 -35.492 56.590 -28.741 1.00 37.52 ATOM 1463 HG12 ILE 89 -35.308 55.144 -29.723 1.00 14.42 ATOM 1464 CG2 ILE 89 -38.110 57.075 -29.220 1.00 1.40 ATOM 1465 HG21 ILE 89 -37.535 57.836 -28.707 1.00 61.05 ATOM 1466 HG22 ILE 89 -38.666 56.500 -28.492 1.00 72.32 ATOM 1467 HG23 ILE 89 -38.798 57.558 -29.897 1.00 15.02 ATOM 1468 CD1 ILE 89 -36.418 54.865 -27.950 1.00 64.43 ATOM 1469 HD11 ILE 89 -36.829 53.930 -28.300 1.00 64.22 ATOM 1470 HD12 ILE 89 -37.155 55.384 -27.357 1.00 13.25 ATOM 1471 HD13 ILE 89 -35.552 54.662 -27.338 1.00 10.30 ATOM 1472 C ILE 89 -39.012 55.412 -31.516 1.00 3.41 ATOM 1473 O ILE 89 -38.771 55.499 -32.720 1.00 53.32 ATOM 1474 N VAL 90 -40.194 55.718 -30.991 1.00 20.34 ATOM 1475 HN VAL 90 -40.336 55.616 -30.020 1.00 37.52 ATOM 1476 CA VAL 90 -41.301 56.184 -31.818 1.00 24.34 ATOM 1477 HA VAL 90 -40.904 56.600 -32.741 1.00 23.11 ATOM 1478 CB VAL 90 -42.258 55.032 -32.175 1.00 34.43 ATOM 1479 HB VAL 90 -43.164 55.444 -32.602 1.00 35.22 ATOM 1480 CG1 VAL 90 -41.632 54.121 -33.220 1.00 32.34 ATOM 1481 HG11 VAL 90 -40.729 53.677 -32.824 1.00 45.03 ATOM 1482 HG12 VAL 90 -41.392 54.695 -34.104 1.00 55.04 ATOM 1483 HG13 VAL 90 -42.330 53.339 -33.484 1.00 45.44 ATOM 1484 CG2 VAL 90 -42.635 54.246 -30.927 1.00 44.15 ATOM 1485 HG21 VAL 90 -41.756 53.782 -30.504 1.00 72.03 ATOM 1486 HG22 VAL 90 -43.350 53.479 -31.189 1.00 11.14 ATOM 1487 HG23 VAL 90 -43.079 54.907 -30.196 1.00 71.21 ATOM 1488 C VAL 90 -42.087 57.284 -31.114 1.00 40.22 ATOM 1489 O VAL 90 -42.047 57.403 -29.890 1.00 32.41 ATOM 1490 N GLN 91 -42.801 58.087 -31.897 1.00 71.50 ATOM 1491 HN GLN 91 -42.778 57.945 -32.873 1.00 37.52 ATOM 1492 HA GLN 91 -42.938 59.826 -30.785 1.00 41.12 ATOM 1493 CB GLN 91 -44.236 59.989 -32.477 1.00 71.21 ATOM 1494 HB1 GLN 91 -43.449 60.420 -33.079 1.00 37.52 ATOM 1495 HB2 GLN 91 -44.822 60.791 -32.044 1.00 51.14 ATOM 1496 CG GLN 91 -45.130 59.163 -33.389 1.00 2.35 ATOM 1497 HG1 GLN 91 -45.766 58.520 -32.801 1.00 37.52 ATOM 1498 HG2 GLN 91 -44.504 58.554 -34.023 1.00 75.32 ATOM 1499 CD GLN 91 -46.006 60.021 -34.280 1.00 11.13 ATOM 1500 OE1 GLN 91 -45.550 60.553 -35.292 1.00 5.41 ATOM 1501 NE2 GLN 91 -47.273 60.160 -33.908 1.00 32.14 ATOM 1502 HE21 GLN 91 -47.585 59.712 -33.089 1.00 22.44 ATOM 1503 HE22 GLN 91 -47.855 60.711 -34.472 1.00 23.54 ATOM 1504 CA GLN 91 -43.597 59.178 -31.348 1.00 50.13 ATOM 1505 C GLN 91 -44.678 58.647 -30.413 1.00 20.22 ATOM 1506 OT1 GLN 91 -45.224 57.550 -30.674 1.00 37.52 ATOM 1507 OT2 GLN 91 -44.975 59.337 -29.415 1.00 37.52 ATOM 1508 OH2 TIP3 1 -39.493 39.418 -29.484 0.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -39.542 38.463 -29.521 0.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -40.319 39.686 -29.082 0.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -42.211 43.286 -28.377 0.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -42.011 43.710 -29.212 0.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -41.555 43.629 -27.770 0.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -43.768 41.044 -30.697 0.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -44.370 40.489 -31.192 0.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -43.487 41.711 -31.323 0.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -42.498 41.298 -34.730 0.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -42.654 41.976 -35.387 0.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -41.566 41.370 -34.527 0.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -39.782 41.948 -34.501 0.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -39.804 42.133 -33.562 0.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -39.092 42.517 -34.842 0.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -40.219 41.515 -31.579 0.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -40.706 40.780 -31.950 0.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -39.670 41.122 -30.901 0.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -46.049 42.626 -29.924 0.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -45.372 41.994 -30.164 0.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -45.727 43.028 -29.116 0.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -43.193 43.134 -32.634 0.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -43.375 44.050 -32.845 0.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -43.017 42.724 -33.481 0.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -41.846 40.569 -28.771 0.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -42.628 40.383 -29.291 0.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -41.918 41.498 -28.554 0.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -44.998 41.918 -24.943 0.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -44.623 41.174 -25.414 0.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -44.994 41.648 -24.025 0.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -39.720 41.901 -25.035 0.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -38.977 42.487 -25.175 0.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -40.415 42.469 -24.702 0.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -39.782 41.948 -15.645 0.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -39.804 42.133 -14.706 0.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -39.092 42.517 -15.986 0.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -40.219 41.515 -12.723 0.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -40.706 40.780 -13.094 0.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -39.670 41.122 -12.045 0.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -41.064 41.818 -22.065 0.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -41.258 41.070 -22.630 0.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -41.103 42.576 -22.649 0.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -46.296 53.311 -38.741 0.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -46.207 54.255 -38.873 0.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -46.935 53.036 -39.399 0.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -47.363 52.566 -35.322 0.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -47.401 51.920 -34.617 0.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -47.686 52.100 -36.093 0.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -43.657 55.505 -37.020 0.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -44.098 54.785 -36.570 0.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -43.670 56.226 -36.390 0.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -54.071 56.631 -35.194 0.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -54.441 55.829 -35.563 0.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -53.130 56.462 -35.147 0.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -48.974 54.999 -34.916 0.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -48.670 54.313 -35.510 0.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -48.252 55.117 -34.298 0.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -45.833 49.393 -34.588 0.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -45.690 48.446 -34.568 0.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -45.939 49.600 -35.517 0.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -46.499 55.912 -39.698 0.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -46.795 55.590 -40.549 0.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -46.823 56.812 -39.656 0.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -51.299 54.088 -32.954 0.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -52.039 54.686 -32.851 0.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -50.585 54.642 -33.270 0.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -43.192 46.916 -36.934 0.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -43.407 46.150 -36.402 0.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -42.536 47.388 -36.421 0.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -52.891 56.052 -32.167 0.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -52.897 56.931 -32.545 0.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -53.745 55.969 -31.742 0.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -43.734 57.027 -39.538 0.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -43.991 56.337 -40.150 0.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -43.663 56.584 -38.693 0.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -44.169 52.765 -40.337 0.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -44.901 52.993 -39.764 0.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -43.722 52.051 -39.882 0.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -51.157 56.823 -35.773 0.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -51.252 56.245 -36.530 0.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -50.428 56.452 -35.277 0.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -51.277 56.563 -30.104 0.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -51.589 57.345 -29.648 0.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -51.927 56.410 -30.790 0.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -47.572 58.664 -39.217 0.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -47.098 58.959 -38.439 0.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -48.135 59.402 -39.450 0.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -53.038 58.635 -29.340 0.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -53.030 58.499 -30.288 0.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -53.954 58.517 -29.088 0.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -48.100 61.620 -40.802 0.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -48.175 61.499 -41.748 0.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -48.067 62.570 -40.683 0.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -45.329 60.700 -41.050 0.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -46.264 60.800 -40.871 0.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -45.049 59.991 -40.472 0.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -44.584 48.099 -30.783 0.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -45.098 47.973 -29.986 0.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -44.739 49.011 -31.028 0.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -47.847 50.399 -28.699 0.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -48.410 49.695 -28.379 0.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -47.021 50.279 -28.232 0.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -45.945 49.670 -37.373 0.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -46.140 50.275 -38.088 0.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -45.763 48.836 -37.808 0.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -46.681 51.308 -32.702 0.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -46.357 50.677 -33.345 0.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -47.121 50.773 -32.041 0.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -45.498 46.470 -34.654 0.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -46.175 46.601 -33.990 0.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -45.984 46.315 -35.464 0.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -42.211 62.142 -28.377 0.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -42.011 62.566 -29.212 0.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -41.555 62.485 -27.770 0.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -50.263 51.897 -28.635 0.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -50.559 51.731 -29.530 0.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -49.332 51.677 -28.645 0.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -51.913 57.437 -38.758 0.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -51.386 58.210 -38.959 0.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -52.793 57.662 -39.060 0.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -50.486 55.100 -39.182 0.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -50.727 56.025 -39.140 0.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -51.226 54.641 -38.786 0.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -51.802 60.122 -39.637 0.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -52.752 60.227 -39.585 0.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -51.451 60.942 -39.292 0.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -46.911 46.874 -32.400 0.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -46.213 46.948 -31.750 0.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -47.292 46.010 -32.245 0.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -48.458 58.657 -42.440 0.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -49.275 59.154 -42.387 0.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -47.929 59.132 -43.080 0.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -48.391 49.240 -31.283 0.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -48.272 49.814 -30.526 0.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -47.736 48.552 -31.168 0.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -43.585 50.898 -36.352 0.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -44.382 50.483 -36.681 0.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -43.140 50.207 -35.861 0.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -52.187 59.744 -26.882 0.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -51.419 59.285 -26.541 0.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -52.208 59.518 -27.812 0.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -50.222 54.605 -28.115 0.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -50.550 54.876 -28.973 0.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -50.070 53.664 -28.203 0.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -47.078 53.315 -27.476 0.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -46.125 53.399 -27.504 0.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -47.238 52.604 -26.857 0.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -49.764 52.008 -31.939 0.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -49.013 51.852 -32.512 0.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -50.103 52.860 -32.215 0.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -45.348 49.823 -26.911 0.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -45.156 48.892 -27.022 0.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -44.491 50.248 -26.921 0.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -46.560 47.474 -29.108 0.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -47.508 47.506 -28.976 0.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -46.248 46.849 -28.454 0.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -44.926 46.108 -27.103 0.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -45.023 45.156 -27.109 0.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -45.248 46.377 -26.242 0.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -39.782 60.804 -34.501 0.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -39.804 60.989 -33.562 0.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -39.092 61.373 -34.842 0.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -40.073 52.471 -39.603 0.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -40.799 51.992 -39.205 0.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -39.492 52.677 -38.871 0.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -42.286 50.992 -39.040 0.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -42.436 50.047 -39.060 0.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -42.640 51.273 -38.196 0.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -41.964 49.156 -35.142 0.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -41.031 49.368 -35.176 0.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -42.199 49.258 -34.219 0.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -43.044 60.894 -38.929 0.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -42.391 60.547 -39.537 0.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -42.533 61.383 -38.283 0.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -52.705 58.798 -32.127 0.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -53.130 59.607 -32.410 0.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -51.800 58.883 -32.429 0.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -52.836 61.654 -33.050 0.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -53.701 61.726 -32.646 0.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -52.891 62.201 -33.834 0.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -53.747 59.387 -36.514 0.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -53.966 58.471 -36.345 0.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -52.923 59.527 -36.048 0.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -51.210 59.857 -35.666 0.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -50.997 58.969 -35.953 0.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -51.145 59.823 -34.711 0.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -42.559 43.628 -36.409 0.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -41.955 44.176 -36.910 0.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -43.428 43.948 -36.649 0.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -40.832 44.767 -38.075 0.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -40.220 44.253 -38.602 0.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -40.449 45.645 -38.052 0.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -41.064 60.674 -40.921 0.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -41.258 59.926 -41.486 0.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -41.103 61.432 -41.505 0.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -45.022 43.352 -27.464 0.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -44.946 42.926 -26.610 0.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -44.129 43.366 -27.806 0.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -40.311 46.600 -15.199 0.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -40.262 47.210 -14.463 0.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -39.885 47.061 -15.922 0.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -44.169 52.765 -21.481 0.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -44.901 52.993 -20.908 0.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -43.722 52.051 -21.026 0.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -45.298 51.927 -23.796 0.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -44.719 52.077 -23.049 0.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -44.884 52.398 -24.519 0.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -41.600 43.677 -23.983 0.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -42.499 43.816 -23.688 0.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -41.348 44.508 -24.385 0.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -40.410 58.043 -25.606 0.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -40.337 58.982 -25.436 0.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -39.505 57.738 -25.663 0.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -44.998 60.774 -24.943 0.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -44.623 60.030 -25.414 0.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -44.994 60.504 -24.025 0.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -45.329 60.700 -22.194 0.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -46.264 60.800 -22.015 0.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -45.049 59.991 -21.616 0.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -43.821 52.960 -26.166 0.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -43.779 52.737 -27.096 0.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -42.972 53.358 -25.976 0.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -45.515 47.438 -24.877 0.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -46.453 47.550 -25.028 0.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -45.218 48.295 -24.571 0.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -44.797 49.305 -23.216 0.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -43.905 49.168 -22.897 0.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -44.740 50.096 -23.753 0.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -47.287 56.083 -24.051 0.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -47.582 56.909 -23.669 0.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -47.990 55.463 -23.855 0.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -41.616 58.301 -23.057 0.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -41.989 57.475 -22.747 0.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -41.339 58.118 -23.954 0.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -44.224 56.277 -25.236 0.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -43.871 55.897 -24.432 0.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -45.173 56.184 -25.150 0.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -39.720 60.757 -25.035 0.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -38.977 61.343 -25.175 0.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -40.415 61.325 -24.702 0.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -43.358 54.950 -23.010 0.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -43.635 54.222 -22.454 0.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -42.431 55.069 -22.804 0.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -50.133 57.389 -26.789 0.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -49.894 56.641 -27.337 0.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -50.402 57.001 -25.957 0.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -48.458 58.657 -23.584 0.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -49.275 59.154 -23.531 0.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -47.929 59.132 -24.224 0.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -48.095 59.252 -26.651 0.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -48.739 58.621 -26.329 0.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -47.333 58.721 -26.883 0.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -47.184 56.026 -26.824 0.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -47.452 56.206 -25.923 0.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -47.390 55.100 -26.955 0.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -40.926 53.549 -26.546 0.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -41.199 53.124 -27.359 0.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -40.886 54.480 -26.763 0.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -50.418 61.885 -24.990 0.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -49.485 62.043 -24.846 0.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -50.682 62.560 -25.615 0.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -40.467 54.418 -22.571 0.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -39.617 54.839 -22.443 0.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -40.462 53.678 -21.963 0.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -40.073 52.471 -20.747 0.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -40.799 51.992 -20.349 0.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -39.492 52.677 -20.015 0.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -42.286 50.992 -20.184 0.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -42.436 50.047 -20.204 0.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -42.640 51.273 -19.340 0.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -42.576 48.575 -21.722 0.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -42.296 47.668 -21.597 0.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -41.817 49.009 -22.111 0.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -41.962 45.838 -21.673 0.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -41.780 45.389 -20.848 0.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -42.562 45.253 -22.137 0.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -42.559 43.628 -17.553 0.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -41.955 44.176 -18.054 0.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -43.428 43.948 -17.793 0.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -40.832 44.767 -19.219 0.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -40.220 44.253 -19.746 0.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -40.449 45.645 -19.196 0.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -43.885 44.138 -22.688 0.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -44.588 44.752 -22.898 0.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -44.330 43.300 -22.557 0.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -47.773 61.111 -24.745 0.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -46.907 61.477 -24.923 0.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -48.020 60.671 -25.558 0.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -40.311 65.456 -34.055 0.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -40.262 66.066 -33.319 0.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -39.885 65.917 -34.778 0.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -45.833 68.249 -34.588 0.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -45.690 67.302 -34.568 0.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -45.939 68.456 -35.517 0.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -44.956 66.481 -38.915 0.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -44.310 66.152 -38.290 0.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -44.446 66.999 -39.538 0.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -43.192 65.772 -36.934 0.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -43.407 65.006 -36.402 0.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -42.536 66.244 -36.421 0.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -42.845 64.487 -33.255 0.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -43.581 65.098 -33.293 0.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -42.161 64.902 -33.781 0.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -52.573 63.477 -35.011 0.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -53.434 63.390 -35.419 0.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -52.595 64.333 -34.584 0.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -44.584 66.955 -30.783 0.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -45.098 66.829 -29.986 0.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -44.739 67.867 -31.028 0.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -49.903 66.091 -37.918 0.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -50.814 66.148 -37.629 0.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -49.398 66.031 -37.107 0.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -45.498 65.326 -34.654 0.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -46.175 65.457 -33.990 0.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -45.984 65.171 -35.464 0.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -49.957 67.267 -33.617 0.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -50.792 67.721 -33.507 0.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -49.433 67.543 -32.865 0.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -46.911 65.730 -32.400 0.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -46.213 65.804 -31.750 0.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -47.292 64.866 -32.245 0.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -46.127 65.382 -41.303 0.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -45.907 65.854 -42.106 0.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -45.569 65.777 -40.632 0.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -48.043 64.191 -39.530 0.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -48.390 64.809 -38.885 0.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -47.385 64.692 -40.011 0.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -42.187 66.003 -30.448 0.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -43.103 66.266 -30.536 0.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -41.851 66.000 -31.345 0.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -51.346 65.425 -32.179 0.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -50.810 65.876 -32.831 0.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -52.198 65.317 -32.601 0.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -50.540 62.881 -31.747 0.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -50.638 63.828 -31.853 0.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -51.283 62.509 -32.223 0.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -46.560 66.330 -29.108 0.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -47.508 66.362 -28.976 0.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -46.248 65.705 -28.454 0.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -44.926 64.964 -27.103 0.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -45.023 64.012 -27.109 0.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -45.248 65.233 -26.242 0.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -50.318 62.175 -29.076 0.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -49.606 61.535 -29.090 0.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -50.419 62.442 -29.990 0.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -49.965 63.858 -27.022 0.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -50.096 63.382 -27.843 0.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -50.564 64.602 -27.078 0.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -39.652 62.729 -27.012 0.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -39.302 62.075 -27.618 0.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -39.505 63.566 -27.452 0.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -41.962 64.694 -40.529 0.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -41.780 64.245 -39.704 0.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -42.562 64.109 -40.993 0.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -40.132 64.838 -28.663 0.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -41.049 65.109 -28.699 0.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -40.009 64.303 -29.447 0.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -41.131 62.928 -30.844 0.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -41.944 63.253 -31.232 0.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -40.898 62.168 -31.377 0.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -47.701 64.377 -36.521 0.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -48.376 63.748 -36.266 0.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -47.137 63.893 -37.124 0.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -40.832 63.623 -38.075 0.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -40.220 63.109 -38.602 0.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -40.449 64.501 -38.052 0.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -50.795 62.938 -38.886 0.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -49.921 63.326 -38.916 0.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -50.931 62.723 -37.963 0.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -43.885 62.994 -41.544 0.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -44.588 63.608 -41.754 0.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -44.330 62.156 -41.413 0.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -41.600 62.533 -23.983 0.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -42.499 62.672 -23.688 0.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -41.348 63.364 -24.385 0.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -42.208 65.876 -26.688 0.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -41.598 65.504 -26.051 0.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -43.045 65.454 -26.492 0.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -43.885 62.994 -22.688 0.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -44.588 63.608 -22.898 0.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -44.330 62.156 -22.557 0.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -20.637 20.562 -10.628 0.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -20.686 19.607 -10.665 0.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -21.463 20.830 -10.226 0.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -26.787 19.558 -11.889 0.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -27.688 19.741 -12.157 0.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -26.753 19.817 -10.968 0.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -21.092 17.603 -10.685 0.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -21.944 17.841 -11.052 0.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -20.502 17.586 -11.438 0.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -24.912 22.188 -11.841 0.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -25.514 21.633 -12.336 0.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -24.631 22.855 -12.467 0.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -23.642 22.442 -15.874 0.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -23.798 23.120 -16.531 0.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -22.710 22.514 -15.671 0.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -33.331 22.032 -8.026 0.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -32.563 21.573 -7.685 0.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -33.352 21.806 -8.956 0.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -26.754 20.412 -9.297 0.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -27.105 19.556 -9.054 0.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -26.028 20.555 -8.690 0.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -20.926 23.092 -15.645 0.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -20.948 23.277 -14.706 0.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -20.236 23.661 -15.986 0.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -21.363 22.659 -12.723 0.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -21.850 21.924 -13.094 0.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -20.814 22.266 -12.045 0.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -22.912 18.449 -8.085 0.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -23.778 18.344 -7.691 0.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -22.536 19.208 -7.638 0.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -22.971 20.422 -13.492 0.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -23.619 20.747 -12.867 0.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -23.489 19.982 -14.167 0.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -21.077 13.153 -9.861 0.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -21.940 12.774 -10.026 0.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -20.473 12.414 -9.935 0.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -29.538 22.485 -10.312 0.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -29.353 22.151 -9.434 0.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -28.691 22.794 -10.634 0.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -27.193 23.770 -11.068 0.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -26.516 23.138 -11.308 0.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -26.871 24.172 -10.260 0.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -26.942 22.708 -14.073 0.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -27.846 22.873 -14.339 0.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -26.513 23.561 -14.139 0.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -24.337 24.278 -13.778 0.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -24.519 25.194 -13.989 0.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -24.161 23.868 -14.625 0.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -27.440 15.599 -1.029 0.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -27.351 16.543 -1.161 0.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -28.079 15.324 -1.687 0.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -28.507 14.854 2.390 0.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -28.545 14.208 3.095 0.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -28.830 14.388 1.619 0.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -35.215 18.919 2.518 0.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -35.585 18.117 2.149 0.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -34.274 18.750 2.565 0.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -30.118 17.287 2.796 0.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -29.814 16.601 2.202 0.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -29.396 17.405 3.414 0.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -21.455 8.888 3.657 0.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -21.406 9.498 4.393 0.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -21.029 9.349 2.934 0.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -21.063 10.366 5.893 0.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -21.752 11.024 5.798 0.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -21.048 10.169 6.830 0.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -32.443 16.376 4.758 0.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -33.183 16.974 4.861 0.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -31.729 16.930 4.442 0.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.035 18.340 5.545 0.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.041 19.219 5.167 0.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.889 18.257 5.970 0.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -28.719 14.843 -3.577 0.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -29.431 15.378 -3.928 0.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -28.028 14.899 -4.237 0.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -21.350 14.221 4.717 0.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -22.002 14.916 4.806 0.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -20.885 14.431 3.907 0.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -25.313 15.053 -2.625 0.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -26.045 15.281 -2.052 0.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -24.866 14.339 -2.170 0.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -25.416 13.227 6.443 0.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -25.336 13.990 7.015 0.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -26.017 13.506 5.752 0.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -33.668 15.683 -0.742 0.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -33.998 15.313 -1.561 0.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -33.080 15.013 -0.396 0.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -32.301 19.111 1.939 0.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -32.396 18.533 1.182 0.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -31.572 18.740 2.435 0.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -26.442 14.215 -4.940 0.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -25.863 14.365 -4.193 0.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -26.028 14.686 -5.663 0.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -34.182 20.923 8.372 0.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -34.174 20.787 7.424 0.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -35.098 20.805 8.624 0.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -26.142 23.062 -6.087 0.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -25.767 22.318 -6.558 0.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -26.138 22.792 -5.169 0.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -36.336 18.439 6.705 0.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -36.119 18.078 7.565 0.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -37.191 18.065 6.495 0.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -24.965 15.248 -7.310 0.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -24.923 15.025 -8.240 0.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -24.116 15.646 -7.120 0.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -28.093 12.512 -2.475 0.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -28.502 13.327 -2.767 0.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -27.373 12.372 -3.090 0.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -28.991 12.687 9.013 0.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -29.554 11.983 9.333 0.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -28.165 12.567 9.480 0.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -27.089 11.958 0.339 0.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -27.284 12.563 -0.376 0.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -26.907 11.124 -0.096 0.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -27.825 13.596 5.010 0.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -27.501 12.965 4.367 0.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -28.265 13.061 5.671 0.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -35.757 16.904 8.943 0.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -35.024 17.158 9.504 0.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -36.537 17.108 9.458 0.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -30.557 16.912 -4.220 0.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -31.301 16.405 -4.543 0.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -30.691 16.961 -3.274 0.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -28.431 18.371 -5.195 0.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -28.726 19.197 -4.813 0.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -29.134 17.751 -4.999 0.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -31.407 14.185 9.077 0.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -31.703 14.019 8.182 0.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -30.476 13.965 9.067 0.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -21.056 11.803 -4.666 0.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -21.610 11.407 -5.338 0.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -20.955 12.713 -4.943 0.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -25.600 15.397 2.821 0.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -26.528 15.165 2.794 0.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -25.149 14.620 2.491 0.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -31.630 17.388 -1.470 0.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -31.871 18.313 -1.428 0.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -32.370 16.929 -1.074 0.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -25.368 18.565 -6.380 0.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -25.015 18.185 -5.576 0.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -26.317 18.472 -6.294 0.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -31.277 19.677 -7.933 0.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -31.038 18.929 -8.481 0.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -31.546 19.289 -7.101 0.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -32.340 19.247 -5.477 0.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -32.193 18.727 -4.687 0.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -32.343 20.154 -5.171 0.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -29.602 20.945 -4.728 0.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -30.419 21.442 -4.675 0.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -29.073 21.420 -5.368 0.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -29.535 11.528 6.429 0.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -29.416 12.102 7.186 0.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -28.880 10.840 6.544 0.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -24.729 13.186 1.360 0.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -25.526 12.771 1.031 0.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -24.284 12.495 1.851 0.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -35.271 19.114 -6.070 0.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -34.679 19.813 -5.794 0.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -34.812 18.681 -6.789 0.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -37.217 20.500 -2.120 0.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -38.049 20.973 -2.093 0.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -36.671 21.010 -2.719 0.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -33.331 22.032 10.830 0.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -32.563 21.573 11.171 0.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -33.352 21.806 9.900 0.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -29.239 21.540 -7.795 0.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -29.883 20.909 -7.473 0.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -28.477 21.009 -8.027 0.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -24.635 21.357 -7.561 0.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -24.352 20.563 -7.108 0.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -23.895 21.590 -8.122 0.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -31.366 16.893 9.597 0.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -31.694 17.164 8.739 0.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -31.214 15.952 9.509 0.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -28.328 18.314 -7.968 0.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -28.596 18.494 -7.067 0.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -28.534 17.388 -8.099 0.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -28.222 15.603 10.236 0.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -27.269 15.687 10.208 0.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -28.382 14.892 10.855 0.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -22.070 15.837 -7.690 0.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -22.343 15.412 -8.503 0.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -22.030 16.768 -7.907 0.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -30.908 14.296 5.773 0.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -30.157 14.140 5.200 0.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -31.247 15.148 5.497 0.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -25.176 14.900 8.879 0.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -25.457 15.609 8.301 0.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -24.233 14.827 8.728 0.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -31.562 24.173 -6.134 0.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -30.629 24.331 -5.990 0.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -31.826 24.848 -6.759 0.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -39.345 24.202 -1.574 0.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -39.992 23.740 -2.107 0.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -38.990 23.530 -0.991 0.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -38.475 22.283 0.231 0.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -38.809 21.402 0.403 0.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -38.253 22.628 1.095 0.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -21.611 16.706 -3.715 0.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -20.761 17.127 -3.587 0.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -21.606 15.966 -3.107 0.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -20.949 14.660 -5.500 0.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -21.470 15.017 -6.219 0.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -20.982 15.335 -4.822 0.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -23.430 13.280 -1.328 0.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -23.580 12.335 -1.348 0.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -23.784 13.561 -0.484 0.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -22.574 15.250 8.311 0.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -21.991 14.516 8.502 0.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -22.010 16.022 8.357 0.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -21.077 13.153 8.995 0.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -21.940 12.774 8.830 0.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -20.473 12.414 8.921 0.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -23.108 11.444 2.570 0.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -22.175 11.656 2.536 0.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -23.343 11.546 3.493 0.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -23.079 12.181 5.346 0.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -23.922 12.449 5.712 0.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -22.636 13.003 5.135 0.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -33.849 21.086 5.585 0.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -34.274 21.895 5.302 0.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -32.944 21.171 5.283 0.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -36.447 24.342 5.632 0.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -37.167 24.782 5.181 0.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -36.813 24.091 6.481 0.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -33.980 23.942 4.662 0.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -34.845 24.014 5.066 0.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -34.035 24.489 3.878 0.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -37.032 22.965 2.543 0.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -37.051 22.540 3.400 0.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -36.227 22.647 2.134 0.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -34.891 21.675 1.198 0.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -35.110 20.759 1.367 0.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -34.067 21.815 1.664 0.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -37.781 22.189 -4.286 0.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -38.466 22.151 -4.954 0.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -37.778 23.102 -3.998 0.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -28.917 23.399 -5.889 0.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -28.051 23.765 -6.067 0.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -29.164 22.959 -6.702 0.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -35.963 23.109 -7.261 0.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -36.231 23.396 -6.388 0.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -35.192 22.563 -7.109 0.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -24.801 17.793 19.548 0.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -25.242 17.073 19.998 0.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -24.814 18.514 20.178 0.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -27.690 22.898 19.760 0.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -27.070 22.221 19.487 0.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -27.898 22.680 20.668 0.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -24.289 19.633 21.896 0.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -25.231 19.691 22.057 0.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -24.013 20.539 21.759 0.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -26.037 21.414 18.521 0.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -25.612 20.707 18.036 0.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -25.720 22.215 18.104 0.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -24.878 19.315 17.030 0.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -25.135 18.625 16.418 0.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -24.807 18.872 17.875 0.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -23.192 17.881 25.507 0.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -23.052 17.290 24.768 0.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -23.024 18.754 25.151 0.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -21.350 14.221 23.573 0.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -22.002 14.916 23.662 0.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -20.885 14.431 22.763 0.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -25.313 15.053 16.231 0.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -26.045 15.281 16.804 0.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -24.866 14.339 16.686 0.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -26.992 19.955 22.481 0.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -27.233 20.617 23.129 0.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -27.190 19.121 22.906 0.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -28.716 20.952 17.351 0.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -28.242 21.247 18.129 0.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -29.279 21.690 17.118 0.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -20.637 20.562 27.084 0.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -20.686 19.607 27.047 0.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -21.463 20.830 27.486 0.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -29.244 23.908 15.766 0.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -29.319 23.787 14.820 0.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -29.211 24.858 15.885 0.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -26.473 22.988 15.518 0.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -27.408 23.088 15.697 0.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -26.193 22.279 16.096 0.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -24.965 15.248 11.546 0.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -24.923 15.025 10.616 0.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -24.116 15.646 11.736 0.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -23.407 16.045 23.422 0.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -22.765 16.502 22.879 0.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -24.237 16.158 22.960 0.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -28.431 18.371 13.661 0.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -28.726 19.197 14.043 0.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -29.134 17.751 13.857 0.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -21.056 11.803 14.190 0.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -21.610 11.407 13.518 0.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -20.955 12.713 13.913 0.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -21.092 17.603 27.027 0.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -21.944 17.841 26.660 0.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -20.502 17.586 26.274 0.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -25.600 15.397 21.677 0.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -26.528 15.165 21.650 0.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -25.149 14.620 21.347 0.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -25.368 18.565 12.476 0.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -25.015 18.185 13.280 0.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -26.317 18.472 12.562 0.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -24.502 17.238 14.702 0.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -24.779 16.510 15.258 0.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -23.575 17.357 14.908 0.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -31.277 19.677 10.923 0.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -31.038 18.929 10.375 0.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -31.546 19.289 11.755 0.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -32.340 19.247 13.379 0.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -32.193 18.727 14.169 0.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -32.343 20.154 13.685 0.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -29.602 20.945 14.128 0.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -30.419 21.442 14.181 0.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -29.073 21.420 13.488 0.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -23.642 22.442 21.838 0.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -23.798 23.120 21.181 0.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -22.710 22.514 22.041 0.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -29.239 21.540 11.061 0.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -29.883 20.909 11.383 0.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -28.477 21.009 10.829 0.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -33.680 17.267 11.152 0.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -33.616 16.473 11.683 0.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -33.027 17.148 10.463 0.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -28.328 18.314 10.888 0.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -28.596 18.494 11.789 0.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -28.534 17.388 10.757 0.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -22.070 15.837 11.166 0.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -22.343 15.412 10.353 0.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -22.030 16.768 10.949 0.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -31.562 24.173 12.722 0.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -30.629 24.331 12.866 0.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -31.826 24.848 12.097 0.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -21.363 22.659 24.989 0.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -21.850 21.924 24.618 0.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -20.814 22.266 25.667 0.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -21.611 16.706 15.141 0.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -20.761 17.127 15.269 0.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -21.606 15.966 15.749 0.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -21.217 14.759 16.965 0.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -21.943 14.280 17.363 0.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -20.636 14.965 17.697 0.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -22.971 20.422 24.220 0.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -23.619 20.747 24.845 0.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -23.489 19.982 23.545 0.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -20.949 14.660 13.356 0.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -21.470 15.017 12.637 0.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -20.982 15.335 14.034 0.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -23.430 13.280 17.528 0.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -23.580 12.335 17.508 0.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -23.784 13.561 18.372 0.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -24.188 23.182 17.639 0.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -23.535 22.835 17.031 0.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -23.677 23.671 18.285 0.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -24.337 24.278 23.934 0.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -24.519 25.194 23.723 0.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -24.161 23.868 23.087 0.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -28.917 23.399 12.967 0.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -28.051 23.765 12.789 0.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -29.164 22.959 12.154 0.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -20.637 39.418 -29.484 0.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -20.686 38.463 -29.521 0.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -21.463 39.686 -29.082 0.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -23.355 43.286 -28.377 0.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -23.155 43.710 -29.212 0.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -22.699 43.629 -27.770 0.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -24.912 41.044 -30.697 0.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -25.514 40.489 -31.192 0.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -24.631 41.711 -31.323 0.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -37.928 41.969 -28.502 0.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -37.388 41.752 -27.743 0.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -38.409 41.163 -28.692 0.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -33.331 40.888 -26.882 0.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -32.563 40.429 -26.541 0.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -33.352 40.662 -27.812 0.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -26.754 39.268 -28.153 0.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -27.105 38.412 -27.910 0.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -26.028 39.411 -27.546 0.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -22.912 37.305 -26.941 0.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -23.778 37.200 -26.547 0.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -22.536 38.064 -26.494 0.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -29.538 41.341 -29.168 0.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -29.353 41.007 -28.290 0.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -28.691 41.650 -29.490 0.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -27.193 42.626 -29.924 0.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -26.516 41.994 -30.164 0.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -26.871 43.028 -29.116 0.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -36.447 43.198 -32.080 0.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -37.167 43.638 -32.531 0.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -36.813 42.947 -31.231 0.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.980 42.798 -33.050 0.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.845 42.870 -32.646 0.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -34.035 43.345 -33.834 0.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -22.990 40.569 -28.771 0.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -23.772 40.383 -29.291 0.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -23.062 41.498 -28.554 0.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -27.440 34.455 -19.885 0.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -27.351 35.399 -20.017 0.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -28.079 34.180 -20.543 0.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -28.507 33.710 -16.466 0.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -28.545 33.064 -15.761 0.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -28.830 33.244 -17.237 0.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -35.215 37.775 -16.338 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -35.585 36.973 -16.707 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -34.274 37.606 -16.291 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -30.118 36.143 -16.060 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -29.814 35.457 -16.654 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -29.396 36.261 -15.442 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -21.455 27.744 -15.199 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -21.406 28.354 -14.463 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -21.029 28.205 -15.922 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -26.977 30.537 -15.732 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -26.834 29.590 -15.712 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -27.083 30.744 -16.661 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -23.989 26.775 -14.399 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -24.725 27.386 -14.437 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -23.305 27.190 -14.925 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -28.719 33.699 -22.433 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -29.431 34.234 -22.784 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -28.028 33.755 -23.093 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -25.313 33.909 -21.481 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -26.045 34.137 -20.908 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -24.866 33.195 -21.026 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -32.301 37.967 -16.917 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -32.396 37.389 -17.674 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -31.572 37.596 -16.421 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -32.421 37.707 -11.248 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -32.733 38.489 -10.792 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -33.071 37.554 -11.934 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -34.182 39.779 -10.484 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -34.174 39.643 -11.432 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -35.098 39.661 -10.232 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -21.554 39.187 -25.606 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -21.481 40.126 -25.436 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -20.649 38.882 -25.663 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -38.834 38.752 -16.310 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -37.888 38.608 -16.329 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -38.947 39.536 -15.773 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.054 25.487 -12.781 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -28.634 25.072 -12.028 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -29.987 25.309 -12.664 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -27.825 32.452 -13.846 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -27.501 31.821 -14.489 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -28.265 31.917 -13.185 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -26.642 27.614 -15.798 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -27.319 27.745 -15.134 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -27.128 27.459 -16.608 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -31.101 29.555 -14.761 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -31.936 30.009 -14.651 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -30.577 29.831 -14.009 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.557 35.768 -23.076 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -31.301 35.261 -23.399 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -30.691 35.817 -22.130 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -23.407 34.901 -14.290 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -22.765 35.358 -14.833 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -24.237 35.014 -14.752 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -29.037 35.952 -11.839 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -29.383 35.571 -11.033 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -29.237 36.886 -11.768 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -28.431 37.227 -24.051 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -28.726 38.053 -23.669 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -29.134 36.607 -23.855 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -31.407 33.041 -9.779 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -31.703 32.875 -10.674 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -30.476 32.821 -9.789 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -22.760 39.445 -23.057 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -23.133 38.619 -22.747 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -22.483 39.262 -23.954 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -25.600 34.253 -16.035 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -26.528 34.021 -16.062 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -25.149 33.476 -16.365 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -33.057 38.581 -19.902 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -32.530 39.354 -20.103 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -33.937 38.806 -20.204 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -31.630 36.244 -20.326 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -31.871 37.169 -20.284 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -32.370 35.785 -19.930 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -31.115 40.393 -14.011 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -30.752 41.248 -14.244 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -30.583 40.101 -13.270 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -27.571 36.492 -14.310 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -27.997 36.265 -13.484 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -26.990 35.754 -14.493 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -25.368 37.421 -25.236 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -25.015 37.041 -24.432 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -26.317 37.328 -25.150 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -24.502 36.094 -23.010 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -24.779 35.366 -22.454 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -23.575 36.213 -22.804 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -37.139 40.082 -13.999 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -36.922 39.150 -14.030 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -36.892 40.356 -13.115 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -31.277 38.533 -26.789 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -31.038 37.785 -27.337 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -31.546 38.145 -25.957 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -32.340 38.103 -24.333 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -32.193 37.583 -23.543 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -32.343 39.010 -24.027 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -28.055 28.018 -13.544 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -27.357 28.092 -12.894 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -28.436 27.154 -13.389 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -29.602 39.801 -23.584 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -30.419 40.298 -23.531 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -29.073 40.276 -24.224 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -29.535 30.384 -12.427 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -29.416 30.958 -11.670 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -28.880 29.696 -12.312 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -24.729 32.042 -17.496 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -25.526 31.627 -17.825 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -24.284 31.351 -17.005 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -35.271 37.970 -24.926 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -34.679 38.669 -24.650 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -34.812 37.537 -25.645 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -37.217 39.356 -20.976 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -38.049 39.829 -20.949 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -36.671 39.866 -21.575 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -33.331 40.888 -8.026 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -32.563 40.429 -7.685 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -33.352 40.662 -8.956 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -29.239 40.396 -26.651 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -29.883 39.765 -26.329 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -28.477 39.865 -26.883 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -24.635 40.213 -26.417 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -24.352 39.419 -25.964 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -23.895 40.446 -26.978 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -31.366 35.749 -9.259 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -31.694 36.020 -10.117 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -31.214 34.808 -9.347 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -33.242 31.988 -11.898 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -33.860 32.663 -11.617 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -32.898 32.309 -12.731 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -32.902 29.343 -10.815 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -32.752 28.614 -11.418 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -32.900 30.120 -11.374 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -32.490 27.713 -13.323 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -31.954 28.164 -13.975 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -33.342 27.605 -13.745 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -30.908 33.152 -13.083 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -30.157 32.996 -13.656 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -31.247 34.004 -13.359 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -34.424 30.541 -8.904 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -35.191 30.009 -9.114 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -33.745 30.231 -9.503 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -31.684 25.169 -12.891 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -31.782 26.116 -12.997 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -32.427 24.797 -13.367 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -31.462 24.463 -10.220 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -30.750 23.823 -10.234 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -31.563 24.730 -11.134 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -31.109 26.146 -8.166 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -31.240 25.670 -8.987 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -31.708 26.890 -8.222 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -39.345 43.058 -20.430 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -39.992 42.596 -20.963 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -38.990 42.386 -19.847 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -38.475 41.139 -18.625 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -38.809 40.258 -18.453 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -38.253 41.484 -17.761 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -21.611 35.562 -22.571 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -20.761 35.983 -22.443 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -21.606 34.822 -21.963 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -21.217 33.615 -20.747 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -21.943 33.136 -20.349 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -20.636 33.821 -20.015 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -21.458 36.400 -15.799 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -20.624 36.022 -16.080 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -21.346 37.343 -15.918 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -23.430 32.136 -20.184 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -23.580 31.191 -20.204 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -23.784 32.417 -19.340 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -23.108 30.300 -16.286 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -22.175 30.512 -16.320 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -23.343 30.402 -15.363 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -33.849 39.942 -13.271 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -34.274 40.751 -13.554 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -32.944 40.027 -13.573 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -36.447 43.198 -13.224 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -37.167 43.638 -13.675 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -36.813 42.947 -12.375 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -37.781 41.045 -23.142 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -38.466 41.007 -23.810 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -37.778 41.958 -22.854 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -28.917 42.255 -24.745 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -28.051 42.621 -24.923 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -29.164 41.815 -25.558 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -34.588 25.164 -8.790 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -33.689 24.890 -8.975 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -34.974 24.421 -8.326 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -35.963 41.965 -26.117 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -36.231 42.252 -25.244 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -35.192 41.419 -25.965 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -28.507 33.710 2.390 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -28.545 33.064 3.095 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -28.830 33.244 1.619 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -30.118 36.143 2.796 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -29.814 35.457 2.202 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -29.396 36.261 3.414 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -33.822 28.638 0.396 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -33.779 29.498 -0.022 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -34.280 28.086 -0.237 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -32.046 32.585 0.374 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -31.430 32.059 0.883 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -32.632 31.945 -0.030 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -35.012 27.556 4.470 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -35.231 28.086 3.704 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -35.680 27.783 5.118 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -35.418 29.448 2.423 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -34.805 30.081 2.796 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -34.906 28.976 1.766 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -24.289 38.489 3.040 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -25.231 38.547 3.201 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -24.013 39.395 2.903 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -23.192 36.737 6.651 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -23.052 36.146 5.912 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -23.024 37.610 6.295 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -28.719 33.699 -3.577 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -29.431 34.234 -3.928 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -28.028 33.755 -4.237 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -21.350 33.077 4.717 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -22.002 33.772 4.806 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -20.885 33.287 3.907 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -25.416 32.083 6.443 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -25.336 32.846 7.015 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -26.017 32.362 5.752 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -33.668 34.539 -0.742 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -33.998 34.169 -1.561 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -33.080 33.869 -0.396 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -32.301 37.967 1.939 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -32.396 37.389 1.182 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -31.572 37.596 2.435 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -26.992 38.811 3.625 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -27.233 39.473 4.273 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -27.190 37.977 4.050 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -20.637 39.418 8.228 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -20.686 38.463 8.191 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -21.463 39.686 8.630 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -29.244 42.764 -3.090 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -29.319 42.643 -4.036 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -29.211 43.714 -2.971 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -23.485 30.911 8.708 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -23.892 31.392 7.988 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -23.444 30.006 8.401 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -33.717 25.765 2.701 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -34.578 25.678 2.293 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -33.739 26.621 3.128 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -33.626 30.731 3.796 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -34.268 30.690 4.505 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -33.589 31.657 3.558 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -33.629 30.952 -1.292 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -34.522 30.611 -1.351 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -33.178 30.575 -2.048 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -28.093 31.368 -2.475 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -28.502 32.183 -2.767 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -27.373 31.228 -3.090 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -28.991 31.543 9.013 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -29.554 30.839 9.333 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -28.165 31.423 9.480 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -32.510 28.425 -7.539 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -32.941 27.980 -6.809 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -33.228 28.797 -8.051 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -39.268 28.167 -0.487 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -38.637 28.138 0.233 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -38.818 27.742 -1.217 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -37.993 28.913 -5.063 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -37.519 29.504 -5.648 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -38.711 29.444 -4.716 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -27.825 32.452 5.010 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -27.501 31.821 4.367 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -28.265 31.917 5.671 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -36.219 30.008 -1.379 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -37.108 30.108 -1.719 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -35.923 29.166 -1.725 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -32.566 30.008 -3.723 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -31.634 30.137 -3.545 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -32.781 30.678 -4.372 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -33.892 31.203 -6.156 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -34.434 30.823 -6.847 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -33.058 31.397 -6.585 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -29.727 31.167 1.681 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -29.163 30.620 1.134 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -29.875 30.645 2.470 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -31.101 29.555 4.095 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -31.936 30.009 4.205 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -30.577 29.831 4.847 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -30.557 35.768 -4.220 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -31.301 35.261 -4.543 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -30.691 35.817 -3.274 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -23.407 34.901 4.566 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -22.765 35.358 4.023 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -24.237 35.014 4.104 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -29.037 35.952 7.017 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -29.383 35.571 7.823 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -29.237 36.886 7.088 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -31.407 33.041 9.077 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -31.703 32.875 8.182 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -30.476 32.821 9.067 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -21.092 36.459 8.171 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -21.944 36.697 7.804 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -20.502 36.442 7.418 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -25.600 34.253 2.821 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -26.528 34.021 2.794 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -25.149 33.476 2.491 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -33.057 38.581 -1.046 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -32.530 39.354 -1.247 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -33.937 38.806 -1.348 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -31.630 36.244 -1.470 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -31.871 37.169 -1.428 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -32.370 35.785 -1.074 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -32.946 41.266 -1.925 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -33.896 41.371 -1.873 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -32.595 42.086 -1.580 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -27.571 36.492 4.546 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -27.997 36.265 5.372 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -26.990 35.754 4.363 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -31.277 38.533 -7.933 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -31.038 37.785 -8.481 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -31.546 38.145 -7.101 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -32.340 38.103 -5.477 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -32.193 37.583 -4.687 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -32.343 39.010 -5.171 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -29.602 39.801 -4.728 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -30.419 40.298 -4.675 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -29.073 40.276 -5.368 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -30.071 29.398 -2.756 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -29.259 29.902 -2.710 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -30.316 29.253 -1.842 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -32.264 40.844 -4.746 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -32.103 41.644 -5.247 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -32.461 41.151 -3.861 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -33.530 27.542 -5.130 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -33.613 28.431 -4.784 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -32.640 27.277 -4.899 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -23.642 41.298 2.982 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -23.798 41.976 2.325 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -22.710 41.370 3.185 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -36.147 25.416 1.719 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -36.376 25.475 0.792 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -36.590 24.624 2.026 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -25.631 35.665 6.980 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -24.886 36.253 6.860 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -26.388 36.247 7.043 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -32.531 34.095 -5.398 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -32.990 33.611 -4.712 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -32.276 33.427 -6.034 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -33.242 31.988 6.958 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -33.860 32.663 7.239 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -32.898 32.309 6.125 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -31.460 32.338 -7.135 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -31.640 32.184 -8.063 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -30.509 32.446 -7.091 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -28.222 34.459 10.236 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -27.269 34.543 10.208 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -28.382 33.748 10.855 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -32.902 29.343 8.041 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -32.752 28.614 7.438 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -32.900 30.120 7.482 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -32.490 27.713 5.533 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -31.954 28.164 4.881 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -33.342 27.605 5.111 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -30.908 33.152 5.773 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -30.157 32.996 5.200 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -31.247 34.004 5.497 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -26.492 30.967 10.801 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -26.300 30.036 10.690 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -25.635 31.392 10.791 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -25.176 33.756 8.879 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -25.457 34.465 8.301 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -24.233 33.683 8.728 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -34.424 30.541 9.952 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -35.191 30.009 9.742 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -33.745 30.231 9.353 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -31.684 25.169 5.965 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -31.782 26.116 5.859 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -32.427 24.797 5.489 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -30.420 29.491 9.528 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -30.656 29.271 10.430 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -31.203 29.284 9.019 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -31.462 24.463 8.636 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -30.750 23.823 8.622 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -31.563 24.730 7.722 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -31.109 26.146 10.690 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -31.240 25.670 9.869 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -31.708 26.890 10.634 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -31.562 43.029 -6.134 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -30.629 43.187 -5.990 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -31.826 43.704 -6.759 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -20.926 41.948 3.211 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -20.948 42.133 4.150 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -20.236 42.517 2.870 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -21.458 36.400 3.057 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -20.624 36.022 2.776 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -21.346 37.343 2.938 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -22.971 39.278 5.364 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -23.619 39.603 5.989 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -23.489 38.838 4.689 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -22.574 34.106 8.311 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -21.991 33.372 8.502 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -22.010 34.878 8.357 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -21.077 32.009 8.995 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -21.940 31.630 8.830 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -20.473 31.270 8.921 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -37.576 27.797 1.714 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -37.131 27.005 2.016 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -37.110 28.513 2.145 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -38.959 27.054 -3.162 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -39.884 27.263 -3.292 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -38.505 27.538 -3.852 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -29.269 42.686 3.838 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -29.726 43.215 3.184 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -29.106 43.289 4.563 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -26.942 41.564 4.783 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -27.846 41.729 4.517 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -26.513 42.417 4.717 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -32.354 41.001 2.046 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -32.141 40.113 1.759 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -32.289 40.967 3.001 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -37.682 25.097 -5.184 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -37.243 25.708 -5.775 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -38.316 25.635 -4.710 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -35.821 27.013 -6.741 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -35.330 26.383 -7.269 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -35.198 27.309 -6.078 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -34.588 25.164 10.066 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -33.689 24.890 9.881 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -34.974 24.421 10.530 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -21.455 27.744 22.513 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -21.406 28.354 23.249 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -21.029 28.205 21.790 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -24.336 28.060 19.634 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -24.551 27.294 20.166 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -23.680 28.532 20.147 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -23.989 26.775 23.313 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -24.725 27.386 23.275 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -23.305 27.190 22.787 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -28.665 32.157 12.318 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -27.964 32.179 12.969 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -28.363 31.529 11.662 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -25.313 33.909 16.231 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -26.045 34.137 16.804 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -24.866 33.195 16.686 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -26.442 33.071 13.916 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -25.863 33.221 14.663 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -26.028 33.542 13.193 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -24.965 34.104 11.546 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -24.923 33.881 10.616 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -24.116 34.502 11.736 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -29.392 27.980 12.216 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -29.646 27.999 13.139 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -29.649 27.108 11.915 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -28.093 31.368 16.381 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -28.502 32.183 16.089 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -27.373 31.228 15.766 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -27.089 30.814 19.195 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -27.284 31.419 18.480 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -26.907 29.980 18.760 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -32.510 28.425 11.317 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -32.941 27.980 12.047 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -33.228 28.797 10.805 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -26.642 27.614 21.914 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -27.319 27.745 22.578 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -27.128 27.459 21.104 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -26.659 28.582 12.835 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -27.597 28.694 12.684 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -26.362 29.439 13.141 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -25.941 30.449 14.496 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -25.049 30.312 14.815 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -25.884 31.240 13.959 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -30.071 29.398 16.100 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -29.259 29.902 16.146 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -30.316 29.253 17.014 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -29.187 26.479 17.038 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -29.534 27.097 17.683 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -28.529 26.980 16.557 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -24.729 32.042 20.216 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -25.526 31.627 19.887 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -24.284 31.351 20.707 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -31.460 32.338 11.721 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -31.640 32.184 10.793 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -30.509 32.446 11.765 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -22.070 34.693 11.166 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -22.343 34.268 10.353 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -22.030 35.624 10.949 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -21.611 35.562 15.141 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -20.761 35.983 15.269 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -21.606 34.822 15.749 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.217 33.615 16.965 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -21.943 33.136 17.363 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -20.636 33.821 17.697 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -20.949 33.516 13.356 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -21.470 33.873 12.637 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -20.982 34.191 14.034 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -22.600 30.756 11.907 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -22.503 31.423 11.227 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -22.740 29.940 11.425 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -23.430 32.136 17.528 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -23.580 31.191 17.508 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -23.784 32.417 18.372 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -23.108 30.300 21.426 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -22.175 30.512 21.392 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -23.343 30.402 22.349 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -22.275 25.216 25.724 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -23.088 25.541 25.336 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -22.042 24.456 25.191 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -28.845 26.665 20.047 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.520 26.036 20.302 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -28.281 26.181 19.444 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -23.703 24.772 20.159 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -23.099 25.320 19.658 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -24.572 25.092 19.919 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -26.382 25.256 19.331 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -26.306 25.351 18.382 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -26.658 24.348 19.460 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -30.795 27.306 14.572 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -30.617 26.660 15.255 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -30.849 28.140 15.039 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -28.507 52.566 -35.322 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -28.545 51.920 -34.617 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -28.830 52.100 -36.093 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -35.215 56.631 -35.194 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -35.585 55.829 -35.563 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -34.274 56.462 -35.147 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -38.605 50.291 -39.801 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -39.053 51.137 -39.819 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -39.166 49.711 -40.316 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -37.895 52.453 -37.675 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -37.681 51.683 -37.148 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -37.157 52.542 -38.278 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -30.118 54.999 -34.916 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -29.814 54.313 -35.510 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -29.396 55.117 -34.298 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -33.822 47.494 -37.316 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -33.779 48.354 -37.734 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -34.280 46.942 -37.949 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -32.046 51.441 -37.338 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -31.430 50.915 -36.829 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -32.632 50.801 -37.742 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -35.012 46.412 -33.242 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -35.231 46.942 -34.008 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -35.680 46.639 -32.594 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -32.443 54.088 -32.954 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -33.183 54.686 -32.851 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -31.729 54.642 -33.270 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -25.416 50.939 -31.269 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -25.336 51.702 -30.697 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -26.017 51.218 -31.960 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -33.668 53.395 -38.454 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -33.998 53.025 -39.273 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -33.080 52.725 -38.108 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -32.301 56.823 -35.773 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -32.396 56.245 -36.530 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -31.572 56.452 -35.277 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -34.678 52.465 -40.865 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -34.970 53.233 -41.356 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -35.352 51.805 -41.028 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -29.658 57.848 -30.608 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -29.571 58.674 -30.133 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -30.522 57.518 -30.359 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -23.485 49.767 -29.004 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -23.892 50.248 -29.724 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -23.444 48.862 -29.311 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -33.717 44.621 -35.011 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -34.578 44.534 -35.419 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -33.739 45.477 -34.584 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -29.054 44.343 -31.637 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -28.634 43.928 -30.884 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -29.987 44.165 -31.520 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -25.728 48.099 -30.783 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -26.242 47.973 -29.986 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -25.883 49.011 -31.028 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -33.629 49.808 -39.004 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -34.522 49.467 -39.063 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -33.178 49.431 -39.760 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -39.268 47.023 -38.199 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -38.637 46.994 -37.479 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -38.818 46.598 -38.929 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -27.825 51.308 -32.702 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -27.501 50.677 -33.345 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -28.265 50.773 -32.041 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -31.047 47.235 -37.918 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -31.958 47.292 -37.629 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -30.542 47.175 -37.107 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -36.219 48.864 -39.091 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -37.108 48.964 -39.431 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -35.923 48.022 -39.437 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -29.727 50.023 -36.031 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -29.163 49.476 -36.578 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -29.875 49.501 -35.242 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -34.725 46.159 -39.613 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -35.042 45.257 -39.648 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -33.944 46.161 -40.165 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -31.101 48.411 -33.617 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -31.936 48.865 -33.507 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -30.577 48.687 -32.865 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -29.037 54.808 -30.695 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -29.383 54.427 -29.889 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -29.237 55.742 -30.624 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -31.630 55.100 -39.182 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -31.871 56.025 -39.140 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -32.370 54.641 -38.786 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -31.115 59.249 -32.867 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -30.752 60.104 -33.100 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -30.583 58.957 -32.126 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -28.055 46.874 -32.400 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -27.357 46.948 -31.750 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -28.436 46.010 -32.245 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -29.535 49.240 -31.283 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -29.416 49.814 -30.526 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -28.880 48.552 -31.168 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -23.331 47.147 -30.448 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -24.247 47.410 -30.536 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -22.995 47.144 -31.345 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -36.147 44.272 -35.993 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -36.376 44.331 -36.920 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -36.590 43.480 -35.686 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -37.217 58.212 -39.832 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -38.049 58.685 -39.805 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -36.671 58.722 -40.431 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -33.331 59.744 -26.882 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -32.563 59.285 -26.541 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -33.352 59.518 -27.812 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -26.754 58.124 -28.153 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -27.105 57.268 -27.910 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -26.028 58.267 -27.546 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -25.631 54.521 -30.732 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -24.886 55.109 -30.852 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -26.388 55.103 -30.669 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -32.490 46.569 -32.179 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -31.954 47.020 -32.831 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -33.342 46.461 -32.601 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -30.908 52.008 -31.939 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -30.157 51.852 -32.512 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -31.247 52.860 -32.215 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -26.492 49.823 -26.911 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -26.300 48.892 -27.022 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -25.635 50.248 -26.921 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -25.176 52.612 -28.833 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -25.457 53.321 -29.411 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -24.233 52.539 -28.984 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -31.684 44.025 -31.747 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -31.782 44.972 -31.853 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -32.427 43.653 -32.223 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -27.704 47.474 -29.108 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -28.652 47.506 -28.976 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -27.392 46.849 -28.454 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -31.462 43.319 -29.076 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -30.750 42.679 -29.090 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -31.563 43.586 -29.990 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -39.345 61.914 -39.286 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -39.992 61.452 -39.819 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -38.990 61.242 -38.703 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -38.475 59.995 -37.481 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -38.809 59.114 -37.309 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -38.253 60.340 -36.617 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -20.796 43.873 -27.012 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -20.446 43.219 -27.618 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -20.649 44.710 -27.452 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -37.576 46.653 -35.998 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -37.131 45.861 -35.696 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -37.110 47.369 -35.567 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -21.276 45.982 -28.663 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -22.193 46.253 -28.699 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -21.153 45.447 -29.447 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -33.849 58.798 -32.127 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -34.274 59.607 -32.410 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -32.944 58.883 -32.429 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -29.538 60.197 -29.168 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -29.353 59.863 -28.290 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -28.691 60.506 -29.490 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -22.275 44.072 -30.844 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -23.088 44.397 -31.232 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -22.042 43.312 -31.377 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -36.447 62.054 -32.080 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -37.167 62.494 -32.531 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -36.813 61.803 -31.231 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -33.980 61.654 -33.050 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -34.845 61.726 -32.646 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -34.035 62.201 -33.834 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -37.032 60.677 -35.169 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -37.051 60.252 -34.312 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -36.227 60.359 -35.578 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -34.891 59.387 -36.514 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -35.110 58.471 -36.345 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -34.067 59.527 -36.048 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -27.440 53.311 -19.885 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -27.351 54.255 -20.017 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -28.079 53.036 -20.543 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -36.139 52.181 -14.873 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -36.097 51.555 -14.149 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -35.436 52.804 -14.691 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -24.801 55.505 -18.164 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -25.242 54.785 -17.714 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -24.814 56.226 -17.534 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -37.895 52.453 -18.819 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -37.681 51.683 -18.292 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -37.157 52.542 -19.422 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -30.118 54.999 -16.060 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -29.814 54.313 -16.654 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -29.396 55.117 -15.442 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -37.202 49.891 -17.698 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -36.548 49.341 -17.266 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -37.178 49.617 -18.614 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -32.046 51.441 -18.482 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -31.430 50.915 -17.973 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -32.632 50.801 -18.886 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -35.012 46.412 -14.386 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -35.231 46.942 -15.152 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -35.680 46.639 -13.738 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -27.643 55.912 -20.842 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -27.939 55.590 -21.693 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -27.967 56.812 -20.800 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -32.443 54.088 -14.098 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -33.183 54.686 -13.995 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -31.729 54.642 -14.414 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -35.418 48.304 -16.433 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -34.805 48.937 -16.060 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -34.906 47.832 -17.090 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -37.914 55.723 -22.529 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -38.186 55.952 -23.418 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -37.869 56.561 -22.069 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -24.289 57.345 -15.816 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -25.231 57.403 -15.655 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -24.013 58.251 -15.953 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -23.192 55.593 -12.205 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -23.052 55.002 -12.944 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -23.024 56.466 -12.561 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -21.350 51.933 -14.139 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -22.002 52.628 -14.050 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -20.885 52.143 -14.949 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -25.313 52.765 -21.481 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -26.045 52.993 -20.908 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -24.866 52.051 -21.026 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -33.668 53.395 -19.598 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -33.998 53.025 -20.417 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -33.080 52.725 -19.252 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -32.301 56.823 -16.917 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -32.396 56.245 -17.674 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -31.572 56.452 -16.421 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -33.301 52.164 -15.965 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -32.736 52.285 -16.728 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -32.982 52.801 -15.326 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -26.992 57.667 -15.231 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -27.233 58.329 -14.583 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -27.190 56.833 -14.806 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -26.442 51.927 -23.796 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -25.863 52.077 -23.049 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -26.028 52.398 -24.519 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -28.716 58.664 -20.361 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -28.242 58.959 -19.583 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -29.279 59.402 -20.594 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -34.678 52.465 -22.009 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -34.970 53.233 -22.500 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -35.352 51.805 -22.172 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -24.965 52.960 -26.166 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -24.923 52.737 -27.096 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -24.116 53.358 -25.976 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -33.626 49.587 -15.060 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -34.268 49.546 -14.351 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -33.589 50.513 -15.298 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -28.991 50.399 -9.843 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -29.554 49.695 -9.523 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -28.165 50.279 -9.376 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -35.876 49.907 -13.193 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -35.914 50.307 -12.325 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -36.367 49.090 -13.103 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -39.268 47.023 -19.343 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -38.637 46.994 -18.623 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -38.818 46.598 -20.073 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -23.407 53.757 -14.290 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -22.765 54.214 -14.833 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -24.237 53.870 -14.752 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -29.037 54.808 -11.839 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -29.383 54.427 -11.033 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -29.237 55.742 -11.768 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -35.432 53.919 -17.307 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -34.687 53.917 -17.908 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -35.354 53.095 -16.825 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -28.431 56.083 -24.051 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -28.726 56.909 -23.669 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -29.134 55.463 -23.855 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -31.407 51.897 -9.779 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -31.703 51.731 -10.674 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -30.476 51.677 -9.789 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -26.787 57.270 -11.889 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -27.688 57.453 -12.157 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -26.753 57.529 -10.968 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -21.056 49.515 -23.522 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -21.610 49.119 -24.194 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -20.955 50.425 -23.799 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -33.057 57.437 -19.902 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -32.530 58.210 -20.103 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -33.937 57.662 -20.204 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -31.630 55.100 -20.326 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -31.871 56.025 -20.284 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -32.370 54.641 -19.930 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -32.946 60.122 -20.781 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -33.896 60.227 -20.729 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -32.595 60.942 -20.436 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -27.571 55.348 -14.310 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -27.997 55.121 -13.484 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -26.990 54.610 -14.493 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -25.368 56.277 -25.236 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -25.015 55.897 -24.432 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -26.317 56.184 -25.150 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -36.790 47.133 -12.434 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -37.683 47.472 -12.501 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -36.889 46.278 -12.016 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -24.502 54.950 -23.010 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -24.779 54.222 -22.454 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -23.575 55.069 -22.804 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -31.277 57.389 -26.789 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -31.038 56.641 -27.337 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -31.546 57.001 -25.957 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -35.887 54.212 -23.823 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -36.573 54.564 -23.256 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -35.364 54.975 -24.069 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -29.602 58.657 -23.584 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -30.419 59.154 -23.531 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -29.073 59.132 -24.224 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -32.264 59.700 -23.602 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -32.103 60.500 -24.103 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -32.461 60.007 -22.717 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -37.217 58.212 -20.976 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -38.049 58.685 -20.949 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -36.671 58.722 -21.575 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -29.239 59.252 -26.651 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -29.883 58.621 -26.329 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -28.477 58.721 -26.883 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -28.328 56.026 -26.824 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -28.596 56.206 -25.923 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -28.534 55.100 -26.955 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -25.631 54.521 -11.876 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -24.886 55.109 -11.996 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -26.388 55.103 -11.813 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -33.242 50.844 -11.898 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -33.860 51.519 -11.617 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -32.898 51.165 -12.731 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -28.222 53.315 -8.620 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -27.269 53.399 -8.648 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -28.382 52.604 -8.001 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -32.902 48.199 -10.815 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -32.752 47.470 -11.418 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -32.900 48.976 -11.374 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -32.490 46.569 -13.323 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -31.954 47.020 -13.975 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -33.342 46.461 -13.745 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -30.908 52.008 -13.083 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -30.157 51.852 -13.656 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -31.247 52.860 -13.359 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -26.492 49.823 -8.055 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -26.300 48.892 -8.166 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -25.635 50.248 -8.065 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -25.176 52.612 -9.977 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -25.457 53.321 -10.555 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -24.233 52.539 -10.128 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -31.684 44.025 -12.891 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -31.782 44.972 -12.997 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -32.427 43.653 -13.367 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -30.420 48.347 -9.328 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -30.656 48.127 -8.426 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -31.203 48.140 -9.837 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -31.462 43.319 -10.220 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -30.750 42.679 -10.234 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -31.563 43.586 -11.134 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -31.109 45.002 -8.166 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -31.240 44.526 -8.987 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -31.708 45.746 -8.222 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -21.217 52.471 -20.747 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -21.943 51.992 -20.349 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -20.636 52.677 -20.015 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -21.458 55.256 -15.799 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -20.624 54.878 -16.080 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -21.346 56.199 -15.918 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -22.600 49.612 -25.805 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -22.503 50.279 -26.485 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -22.740 48.796 -26.287 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -23.430 50.992 -20.184 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -23.580 50.047 -20.204 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -23.784 51.273 -19.340 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -38.395 53.070 -16.174 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -38.211 52.988 -17.109 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -37.546 52.946 -15.750 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -22.574 52.962 -10.545 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -21.991 52.228 -10.354 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -22.010 53.734 -10.499 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -21.077 50.865 -9.861 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -21.940 50.486 -10.026 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -20.473 50.126 -9.935 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -23.720 48.575 -21.722 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -23.440 47.668 -21.597 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -22.961 49.009 -22.111 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -23.079 49.893 -13.510 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -23.922 50.161 -13.144 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -22.636 50.715 -13.721 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -37.576 46.653 -17.142 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -37.131 45.861 -16.840 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -37.110 47.369 -16.711 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -39.272 49.652 -16.073 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -38.780 49.431 -16.863 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -38.910 50.493 -15.792 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -38.995 44.648 -13.674 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -39.660 44.402 -13.031 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -39.438 45.270 -14.251 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -37.781 59.901 -23.142 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -38.466 59.863 -23.810 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -37.778 60.814 -22.854 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -36.561 44.669 -10.326 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -36.927 43.904 -9.883 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -35.648 44.698 -10.039 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -35.963 60.821 -26.117 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -36.231 61.108 -25.244 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -35.192 60.275 -25.965 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -26.100 47.625 -1.203 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -25.454 47.296 -0.578 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -25.590 48.143 -1.826 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.336 46.916 0.778 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -24.551 46.150 1.310 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -23.680 47.388 1.291 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -30.986 43.718 1.923 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -31.103 42.769 1.869 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -31.841 44.050 2.196 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -28.719 52.555 -3.577 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -29.431 53.090 -3.928 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -28.028 52.611 -4.237 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -28.665 51.013 -6.538 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -27.964 51.035 -5.887 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -28.363 50.385 -7.194 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -25.313 52.765 -2.625 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -26.045 52.993 -2.052 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -24.866 52.051 -2.170 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -26.442 51.927 -4.940 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -25.863 52.077 -4.193 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -26.028 52.398 -5.663 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -24.965 52.960 -7.310 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -24.923 52.737 -8.240 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -24.116 53.358 -7.120 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -28.093 50.224 -2.475 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -28.502 51.039 -2.767 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -27.373 50.084 -3.090 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -27.089 49.670 0.339 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -27.284 50.275 -0.376 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -26.907 48.836 -0.096 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -32.510 47.281 -7.539 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -32.941 46.836 -6.809 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -33.228 47.653 -8.051 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -31.047 47.235 -0.206 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -31.958 47.292 0.083 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -30.542 47.175 0.605 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -32.566 48.864 -3.723 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -31.634 48.993 -3.545 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -32.781 49.534 -4.372 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -26.642 46.470 3.058 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -27.319 46.601 3.722 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -27.128 46.315 2.248 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -33.892 50.059 -6.156 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -34.434 49.679 -6.847 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -33.058 50.253 -6.585 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -29.727 50.023 1.681 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -29.163 49.476 1.134 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -29.875 49.501 2.470 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -21.056 49.515 -4.666 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -21.610 49.119 -5.338 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -20.955 50.425 -4.943 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -30.071 48.254 -2.756 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -29.259 48.758 -2.710 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -30.316 48.109 -1.842 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -33.530 46.398 -5.130 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -33.613 47.287 -4.784 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -32.640 46.133 -4.899 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -31.460 51.194 -7.135 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -31.640 51.040 -8.063 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -30.509 51.302 -7.091 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -22.070 53.549 -7.690 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -22.343 53.124 -8.503 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -22.030 54.480 -7.907 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -20.949 52.372 -5.500 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -21.470 52.729 -6.219 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -20.982 53.047 -4.822 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -22.600 49.612 -6.949 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -22.503 50.279 -7.629 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -22.740 48.796 -7.431 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -23.430 50.992 -1.328 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -23.580 50.047 -1.348 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -23.784 51.273 -0.484 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -28.845 45.521 1.191 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -29.520 44.892 1.446 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -28.281 45.037 0.588 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -23.703 43.628 1.303 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -23.099 44.176 0.802 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -24.572 43.948 1.063 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -21.976 44.767 -0.363 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -21.364 44.253 -0.890 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -21.593 45.645 -0.340 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -31.939 44.082 -1.174 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -31.065 44.470 -1.204 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -32.075 43.867 -0.251 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -26.382 44.112 0.475 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -26.306 44.207 -0.474 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -26.658 43.204 0.604 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -31.462 62.175 -29.076 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -30.750 61.535 -29.090 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -31.563 62.442 -29.990 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -38.995 63.504 -32.530 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -39.660 63.258 -31.887 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -39.438 64.126 -33.107 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -36.561 63.525 -29.182 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -36.927 62.760 -28.739 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -35.648 63.554 -28.895 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -34.588 62.876 -27.646 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -33.689 62.602 -27.831 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -34.974 62.133 -27.182 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -37.682 62.809 -24.040 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -37.243 63.420 -24.631 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -38.316 63.347 -23.566 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -1.781 -17.150 27.084 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -1.830 -18.105 27.047 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -2.607 -16.882 27.486 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -4.499 -13.282 28.191 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -4.299 -12.858 27.356 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -3.843 -12.939 28.798 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -2.236 -20.109 27.027 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -3.088 -19.871 26.660 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -1.646 -20.126 26.274 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -6.056 -15.524 25.871 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -6.658 -16.079 25.376 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -5.775 -14.857 25.245 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -2.070 -14.620 22.067 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -2.092 -14.435 23.006 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -1.380 -14.051 21.726 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -2.507 -15.053 24.989 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -2.994 -15.788 24.618 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -1.958 -15.446 25.667 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -4.056 -19.263 29.627 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -4.922 -19.368 30.021 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -3.680 -18.504 30.074 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -4.115 -17.290 24.220 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -4.763 -16.965 24.845 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -4.633 -17.730 23.545 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -2.221 -24.559 27.851 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -3.084 -24.938 27.686 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -1.617 -25.298 27.777 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -5.481 -13.434 23.934 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -5.663 -12.518 23.723 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -5.305 -13.844 23.087 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -4.134 -15.999 27.797 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -4.916 -16.185 27.277 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -4.206 -15.070 28.014 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -2.698 -17.381 30.962 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -2.625 -16.442 31.132 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -1.793 -17.686 30.905 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -7.286 -14.650 31.625 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -6.911 -15.394 31.154 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -7.282 -14.920 32.543 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -3.904 -17.123 33.511 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -4.277 -17.949 33.821 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -3.627 -17.306 32.614 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -5.779 -16.355 30.151 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -5.496 -17.149 30.604 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -5.039 -16.122 29.590 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -3.214 -21.875 30.022 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -3.487 -22.300 29.209 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -3.174 -20.944 29.805 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -2.755 -21.006 33.997 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -1.905 -20.585 34.125 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -2.750 -21.746 34.605 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -2.361 -22.953 35.821 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -3.087 -23.432 36.219 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -1.780 -22.747 36.553 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -2.093 -23.052 32.212 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -2.614 -22.695 31.493 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -2.126 -22.377 32.890 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -5.332 -14.530 36.495 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -4.679 -14.877 35.887 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -4.821 -14.041 37.141 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -3.352 -14.750 34.503 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -3.546 -15.498 33.938 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -3.391 -13.992 33.919 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -17.591 5.486 5.632 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -18.311 5.926 5.181 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -17.957 5.235 6.481 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -15.124 5.086 4.662 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -15.989 5.158 5.066 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -15.179 5.633 3.878 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -8.834 4.042 19.760 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -8.214 3.365 19.487 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -9.042 3.824 20.668 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -2.599 -9.968 22.513 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -2.550 -9.358 23.249 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -2.173 -9.507 21.790 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -8.121 -7.175 21.980 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -7.978 -8.122 22.000 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -8.227 -6.968 21.051 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -5.433 0.777 21.896 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -6.375 0.835 22.057 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -5.157 1.683 21.759 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -5.133 -10.937 23.313 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -5.869 -10.326 23.275 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -4.449 -10.522 22.787 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -4.336 -0.975 25.507 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -4.196 -1.566 24.768 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -4.168 -0.102 25.151 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -8.136 1.099 22.481 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -8.377 1.761 23.129 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -8.334 0.265 22.906 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -10.802 1.280 25.960 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -10.715 2.106 26.435 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -11.666 0.950 26.209 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -6.872 -8.469 25.785 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -7.386 -8.595 26.582 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -7.027 -7.557 25.540 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -10.135 -6.169 27.869 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -10.698 -6.873 28.189 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -9.309 -6.289 28.336 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -8.969 -5.260 23.866 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -8.645 -5.891 23.223 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -9.409 -5.795 24.527 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -4.551 -2.811 23.422 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -3.909 -2.354 22.879 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -5.381 -2.698 22.960 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -10.181 -1.760 25.873 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -10.527 -2.141 26.679 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -10.381 -0.826 25.944 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -7.931 0.702 25.823 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -8.832 0.885 25.555 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -7.897 0.961 26.744 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -6.744 -3.459 21.677 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -7.672 -3.691 21.650 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -6.293 -4.236 21.347 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -12.259 2.681 23.701 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -11.896 3.536 23.468 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -11.727 2.389 24.442 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -8.715 -1.220 23.402 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -9.141 -1.447 24.228 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -8.134 -1.958 23.219 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -9.199 -9.694 24.168 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -8.501 -9.620 24.818 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -9.580 -10.558 24.323 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -10.679 -7.328 25.285 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -10.560 -6.754 26.042 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -10.024 -8.016 25.400 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -5.873 -5.670 20.216 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -6.670 -6.085 19.887 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -5.428 -6.361 20.707 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -4.786 3.586 21.838 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -4.942 4.264 21.181 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -3.854 3.658 22.041 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -14.475 3.176 29.686 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -13.707 2.717 30.027 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -14.496 2.950 28.756 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -6.775 -2.047 25.836 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -6.030 -1.459 25.716 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -7.532 -1.465 25.899 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -9.366 -3.253 29.092 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -8.413 -3.169 29.064 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -9.526 -3.964 29.711 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -7.636 -6.745 29.657 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -7.444 -7.676 29.546 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -6.779 -6.320 29.647 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -8.848 -9.094 27.460 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -9.796 -9.062 27.592 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -8.536 -9.719 28.114 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -7.214 -10.460 29.465 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -7.311 -11.412 29.459 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -7.536 -10.191 30.326 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -2.070 4.236 22.067 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -2.092 4.421 23.006 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -1.380 4.805 21.726 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -2.602 -1.312 21.913 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -1.768 -1.690 21.632 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -2.490 -0.369 21.794 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -4.252 -7.412 21.426 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -3.319 -7.200 21.392 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -4.487 -7.310 22.349 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -10.682 3.629 27.400 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -10.497 3.295 28.278 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -9.835 3.938 27.078 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -3.419 -12.496 25.724 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -4.232 -12.171 25.336 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -3.186 -13.256 25.191 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -15.124 5.086 23.518 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -15.989 5.158 23.922 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -15.179 5.633 22.734 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -10.413 4.974 22.694 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -10.870 5.503 22.040 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -10.250 5.577 23.419 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -8.086 3.852 23.639 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -8.990 4.017 23.373 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -7.657 4.705 23.573 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -7.310 -13.216 29.104 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -7.234 -13.642 29.958 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -6.417 -13.202 28.762 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -8.584 -3.257 36.683 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -8.495 -2.313 36.551 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -9.223 -3.532 36.025 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -5.945 -1.063 38.404 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -6.386 -1.783 38.854 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -5.958 -0.342 39.034 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -8.834 4.042 38.616 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -8.214 3.365 38.343 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -9.042 3.824 39.524 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -7.244 -8.943 36.509 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -6.598 -9.272 37.134 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -6.734 -8.425 35.886 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -8.787 -0.656 35.726 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -9.083 -0.978 34.875 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -9.111 0.244 35.768 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -7.181 2.558 37.377 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -6.756 1.851 36.892 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -6.864 3.359 36.960 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -6.022 0.459 35.886 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -6.279 -0.231 35.274 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -5.951 0.016 36.731 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -9.863 -4.013 34.135 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -10.575 -3.478 33.784 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -9.172 -3.957 33.475 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -9.809 -5.555 31.174 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -9.108 -5.533 31.825 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -9.507 -6.183 30.518 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -2.494 -4.635 42.429 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -3.146 -3.940 42.518 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -2.029 -4.425 41.619 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -6.457 -3.803 35.087 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -7.189 -3.575 35.660 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -6.010 -4.517 35.542 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -7.586 -4.641 32.772 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -7.007 -4.491 33.519 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -7.172 -4.170 32.049 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -9.860 2.096 36.207 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -9.386 2.391 36.985 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -10.423 2.834 35.974 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -10.388 5.052 34.622 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -10.463 4.931 33.676 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -10.355 6.002 34.741 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -6.109 -3.608 30.402 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -6.067 -3.831 29.472 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -5.260 -3.210 30.592 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -7.803 -9.130 31.691 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -8.741 -9.018 31.540 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -7.506 -8.273 31.997 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -7.085 -7.263 33.352 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -6.193 -7.400 33.671 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -7.028 -6.472 32.815 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -9.575 -0.485 32.517 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -9.870 0.341 32.899 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -10.278 -1.105 32.713 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -12.421 0.821 29.779 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.182 0.073 29.231 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -12.690 0.433 30.611 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -8.415 -10.042 34.121 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -8.195 -9.570 33.318 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -7.857 -9.647 34.792 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -10.746 2.089 32.984 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -11.563 2.586 33.037 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -10.217 2.564 32.344 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -13.408 3.132 32.966 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -13.247 3.932 32.465 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -13.605 3.439 33.851 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -5.873 -5.670 39.072 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -6.670 -6.085 38.743 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -5.428 -6.361 39.563 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -10.383 2.684 29.917 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -11.027 2.053 30.239 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -9.621 2.153 29.685 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -9.472 -0.542 29.744 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -9.740 -0.362 30.645 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -9.678 -1.468 29.613 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -12.706 5.317 31.578 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -11.773 5.475 31.722 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -12.970 5.992 30.953 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -2.602 -1.312 40.769 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -1.768 -1.690 40.488 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -2.490 -0.369 40.650 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -4.574 -5.576 36.384 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -4.724 -6.521 36.364 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -4.928 -5.295 37.228 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -4.864 -7.993 34.846 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -4.584 -8.900 34.971 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -4.105 -7.559 34.457 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -4.252 -7.412 40.282 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -3.319 -7.200 40.248 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -4.487 -7.310 41.205 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -4.250 -10.730 34.895 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -4.068 -11.179 35.720 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -4.850 -11.315 34.431 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -5.332 4.326 36.495 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -4.679 3.979 35.887 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -4.821 4.815 37.141 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -3.120 -11.801 37.349 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -2.508 -12.315 36.822 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -2.737 -10.923 37.372 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -6.173 -12.430 33.880 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -6.876 -11.816 33.670 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -6.618 -13.268 34.011 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -10.061 4.543 31.823 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -9.195 4.909 31.645 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -10.308 4.103 31.010 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -8.584 15.599 -19.885 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -8.495 16.543 -20.017 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -9.223 15.324 -20.543 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -9.651 14.854 -16.466 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -9.689 14.208 -15.761 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -9.974 14.388 -17.237 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -17.283 14.469 -14.873 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -17.241 13.843 -14.149 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -16.580 15.092 -14.691 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -5.945 17.793 -18.164 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -6.386 17.073 -17.714 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -5.958 18.514 -17.534 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -16.359 18.919 -16.338 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -16.729 18.117 -16.707 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -15.418 18.750 -16.291 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -8.834 22.898 -17.952 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -8.214 22.221 -18.225 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -9.042 22.680 -17.044 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -8.121 11.681 -15.732 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -7.978 10.734 -15.712 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -8.227 11.888 -16.661 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -13.587 16.376 -14.098 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -14.327 16.974 -13.995 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -12.873 16.930 -14.414 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -5.433 19.633 -15.816 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -6.375 19.691 -15.655 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -5.157 20.539 -15.953 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -7.181 21.414 -19.191 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -6.756 20.707 -19.676 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -6.864 22.215 -19.608 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -2.494 14.221 -14.139 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -3.146 14.916 -14.050 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -2.029 14.431 -14.949 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -13.445 19.111 -16.917 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -13.540 18.533 -17.674 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -12.716 18.740 -16.421 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -14.445 14.452 -15.965 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -13.880 14.573 -16.728 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -14.126 15.089 -15.326 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -16.645 15.049 -12.019 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -16.575 15.700 -11.321 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -17.536 15.152 -12.354 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -9.860 20.952 -20.361 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -9.386 21.247 -19.583 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -10.423 21.690 -20.594 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -19.729 17.116 -13.194 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -20.230 17.088 -14.009 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -19.723 16.210 -12.884 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -19.978 19.896 -16.310 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -19.032 19.752 -16.329 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -20.091 20.680 -15.773 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -1.781 20.562 -10.628 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -1.830 19.607 -10.665 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -2.607 20.830 -10.226 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -4.629 12.055 -10.148 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -5.036 12.536 -10.868 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -4.588 11.150 -10.455 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -6.872 10.387 -11.927 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -7.386 10.261 -11.130 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -7.027 11.299 -12.172 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -14.770 11.875 -15.060 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -15.412 11.834 -14.351 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -14.733 12.801 -15.298 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -17.020 12.195 -13.193 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -17.058 12.595 -12.325 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -17.511 11.378 -13.103 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -10.871 12.311 -17.175 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -10.307 11.764 -17.722 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -11.019 11.789 -16.386 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -12.245 10.699 -14.761 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -13.080 11.153 -14.651 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -11.721 10.975 -14.009 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -4.551 16.045 -14.290 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -3.909 16.502 -14.833 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -5.381 16.158 -14.752 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -19.568 14.668 -11.992 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -19.345 14.250 -11.160 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -20.170 14.055 -12.414 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -2.236 17.603 -10.685 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -3.088 17.841 -11.052 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -1.646 17.586 -11.438 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -6.744 15.397 -16.035 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -7.672 15.165 -16.062 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -6.293 14.620 -16.365 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -6.056 22.188 -11.841 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -6.658 21.633 -12.336 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -5.775 22.855 -12.467 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -17.934 9.421 -12.434 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -18.827 9.760 -12.501 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -18.033 8.566 -12.016 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -18.283 21.226 -13.999 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -18.066 20.294 -14.030 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -18.036 21.500 -13.115 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -9.199 9.162 -13.544 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -8.501 9.236 -12.894 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -9.580 8.298 -13.389 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -10.679 11.528 -12.427 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -10.560 12.102 -11.670 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -10.024 10.840 -12.312 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -5.873 13.186 -17.496 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -6.670 12.771 -17.825 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -5.428 12.495 -17.005 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -4.786 22.442 -15.874 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -4.942 23.120 -16.531 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -3.854 22.514 -15.671 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -19.165 16.923 -8.692 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -19.021 16.021 -8.978 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -19.938 17.209 -9.180 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.333 14.123 -9.272 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -17.925 13.266 -9.393 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -18.593 14.138 -8.351 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -14.046 10.487 -10.815 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -13.896 9.758 -11.418 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -14.044 11.264 -11.374 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -13.634 8.857 -13.323 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -13.098 9.308 -13.975 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -14.486 8.749 -13.745 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -11.564 10.635 -9.328 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -11.800 10.415 -8.426 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -12.347 10.428 -9.837 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -8.848 9.762 -10.252 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -9.796 9.794 -10.120 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -8.536 9.137 -9.598 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -7.214 8.396 -8.247 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -7.311 7.444 -8.253 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -7.536 8.665 -7.386 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -17.387 9.606 -9.199 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -17.176 8.899 -9.810 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -17.499 9.168 -8.355 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -12.253 7.290 -8.166 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -12.384 6.814 -8.987 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -12.852 8.034 -8.222 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -2.507 22.659 -12.723 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -2.994 21.924 -13.094 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -1.958 22.266 -12.045 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -2.602 17.544 -15.799 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -1.768 17.166 -16.080 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -2.490 18.487 -15.918 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -4.115 20.422 -13.492 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -4.763 20.747 -12.867 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -4.633 19.982 -14.167 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -3.718 15.250 -10.545 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -3.135 14.516 -10.354 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -3.154 16.022 -10.499 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -2.221 13.153 -9.861 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -3.084 12.774 -10.026 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -1.617 12.414 -9.935 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -4.223 12.181 -13.510 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -5.066 12.449 -13.144 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -3.780 13.003 -13.721 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -19.941 10.629 -10.033 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -19.022 10.507 -9.797 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -20.391 9.879 -9.644 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -17.591 24.342 -13.224 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -18.311 24.782 -13.675 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -17.957 24.091 -12.375 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -15.124 23.942 -14.194 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -15.989 24.014 -13.790 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -15.179 24.489 -14.978 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -5.481 24.278 -13.778 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -5.663 25.194 -13.989 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -5.305 23.868 -14.625 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -18.176 22.965 -16.313 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.195 22.540 -15.456 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -17.371 22.647 -16.722 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -16.035 21.675 -17.658 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -16.254 20.759 -17.489 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -15.211 21.815 -17.192 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -13.498 22.145 -16.810 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -13.285 21.257 -17.097 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -13.433 22.111 -15.855 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -15.732 6.308 -8.790 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -14.833 6.034 -8.975 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -16.118 5.565 -8.326 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -4.134 21.713 -9.915 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -4.916 21.527 -10.435 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -4.206 22.642 -9.698 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -9.651 14.854 2.390 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -9.689 14.208 3.095 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -9.974 14.388 1.619 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -19.749 12.579 -2.089 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -20.197 13.425 -2.107 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -20.310 11.999 -2.604 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -8.121 11.681 3.124 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -7.978 10.734 3.144 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -8.227 11.888 2.195 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -14.966 9.782 0.396 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -14.923 10.642 -0.022 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -15.424 9.230 -0.237 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -7.244 9.913 -1.203 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -6.598 9.584 -0.578 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -6.734 10.431 -1.826 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -12.130 6.006 1.923 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -12.247 5.057 1.869 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -12.985 6.338 2.196 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -4.336 17.881 6.651 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -4.196 17.290 5.912 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -4.168 18.754 6.295 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -2.494 14.221 4.717 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -3.146 14.916 4.806 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -2.029 14.431 3.907 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -6.560 13.227 6.443 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -6.480 13.990 7.015 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -7.161 13.506 5.752 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -13.565 18.851 7.608 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -13.877 19.633 8.064 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -14.215 18.698 6.922 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -15.326 20.923 8.372 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -15.318 20.787 7.424 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -16.242 20.805 8.624 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -2.698 20.331 -6.750 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -2.625 21.270 -6.580 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -1.793 20.026 -6.807 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -1.781 20.562 8.228 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -1.830 19.607 8.191 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -2.607 20.830 8.630 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -14.861 6.909 2.701 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -15.722 6.822 2.293 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -14.883 7.765 3.128 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -10.198 6.631 6.075 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -9.778 6.216 6.828 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -11.131 6.453 6.192 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -10.536 9.124 -6.640 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -10.790 9.143 -5.717 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -10.793 8.252 -6.941 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -14.773 12.096 -1.292 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -15.666 11.755 -1.351 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -14.322 11.719 -2.048 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -10.135 12.687 9.013 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -10.698 11.983 9.333 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -9.309 12.567 9.480 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -8.233 11.958 0.339 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -8.428 12.563 -0.376 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -8.051 11.124 -0.096 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -13.654 9.569 -7.539 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -14.085 9.124 -6.809 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -14.372 9.941 -8.051 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -20.412 9.311 -0.487 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -19.781 9.282 0.233 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -19.962 8.886 -1.217 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -19.137 10.057 -5.063 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -18.663 10.648 -5.648 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -19.855 10.588 -4.716 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -8.969 13.596 5.010 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -8.645 12.965 4.367 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -9.409 13.061 5.671 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -12.191 9.523 -0.206 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -13.102 9.580 0.083 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -11.686 9.463 0.605 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -17.363 11.152 -1.379 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -18.252 11.252 -1.719 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -17.067 10.310 -1.725 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -13.710 11.152 -3.723 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -12.778 11.281 -3.545 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -13.925 11.822 -4.372 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -4.499 24.430 9.335 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -4.299 24.854 8.500 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -3.843 24.773 9.942 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -16.901 16.904 8.943 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.168 17.158 9.504 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -17.681 17.108 9.458 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -10.871 12.311 1.681 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -10.307 11.764 1.134 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -11.019 11.789 2.470 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -15.869 8.447 -1.901 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -16.186 7.545 -1.936 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -15.088 8.449 -2.453 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -4.551 16.045 4.566 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -3.909 16.502 4.023 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -5.381 16.158 4.104 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -7.803 9.726 -6.021 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -8.741 9.838 -6.172 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -7.506 10.583 -5.715 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -10.181 17.096 7.017 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -10.527 16.715 7.823 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -10.381 18.030 7.088 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -19.568 14.668 6.864 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -19.345 14.250 7.696 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -20.170 14.055 6.442 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -12.551 14.185 9.077 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -12.847 14.019 8.182 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -11.620 13.965 9.067 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -2.200 11.803 -4.666 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -2.754 11.407 -5.338 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -2.099 12.713 -4.943 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -2.236 17.603 8.171 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -3.088 17.841 7.804 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -1.646 17.586 7.418 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -18.446 14.587 -6.459 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -17.830 15.214 -6.080 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -19.308 14.903 -6.188 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -8.715 17.636 4.546 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -9.141 17.409 5.372 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -8.134 16.898 4.363 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -6.056 22.188 7.015 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -6.658 21.633 6.520 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -5.775 22.855 6.389 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -17.934 9.421 6.422 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.827 9.760 6.355 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.033 8.566 6.840 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -9.199 9.162 5.312 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -8.501 9.236 5.962 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -9.580 8.298 5.467 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -8.415 8.814 -3.591 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -8.195 9.286 -4.394 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -7.857 9.209 -2.920 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -11.215 10.542 -2.756 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -10.403 11.046 -2.710 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -11.460 10.397 -1.842 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -10.679 11.528 6.429 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -10.560 12.102 7.186 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -10.024 10.840 6.544 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -10.331 7.623 -1.818 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -10.678 8.241 -1.173 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -9.673 8.124 -2.299 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -14.674 8.686 -5.130 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -14.757 9.575 -4.784 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -13.784 8.421 -4.899 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -5.873 13.186 1.360 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -6.670 12.771 1.031 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -5.428 12.495 1.851 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -18.099 11.778 -6.954 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -18.144 12.717 -6.775 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -18.987 11.542 -7.224 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -17.291 6.560 1.719 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -17.520 6.619 0.792 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -17.734 5.768 2.026 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -14.475 22.032 10.830 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -13.707 21.573 11.171 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -14.496 21.806 9.900 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -7.898 20.412 9.559 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -8.249 19.556 9.802 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -7.172 20.555 10.166 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -19.165 16.923 10.164 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -19.021 16.021 9.878 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -19.938 17.209 9.676 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -12.510 16.893 9.597 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -12.838 17.164 8.739 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -12.358 15.952 9.509 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -6.775 16.809 6.980 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -6.030 17.397 6.860 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -7.532 17.391 7.043 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -18.333 14.123 9.584 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -17.925 13.266 9.463 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -18.593 14.138 10.505 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -3.214 15.837 -7.690 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -3.487 15.412 -8.503 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -3.174 16.768 -7.907 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -15.568 11.685 9.952 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -16.335 11.153 9.742 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -14.889 11.375 9.353 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -12.828 6.313 5.965 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -12.926 7.260 5.859 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -13.571 5.941 5.489 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -11.564 10.635 9.528 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -11.800 10.415 10.430 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -12.347 10.428 9.019 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -8.848 9.762 8.604 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -9.796 9.794 8.736 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -8.536 9.137 9.258 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -17.387 9.606 9.657 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -17.176 8.899 9.046 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -17.499 9.168 10.501 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -12.606 5.607 8.636 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -11.894 4.967 8.622 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -12.707 5.874 7.722 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -2.507 22.659 6.133 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -2.994 21.924 5.762 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -1.958 22.266 6.811 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -2.755 16.706 -3.715 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -1.905 17.127 -3.587 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -2.750 15.966 -3.107 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -2.361 14.759 -1.891 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -3.087 14.280 -1.493 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -1.780 14.965 -1.159 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -4.115 20.422 5.364 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -4.763 20.747 5.989 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -4.633 19.982 4.689 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -2.093 14.660 -5.500 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -2.614 15.017 -6.219 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -2.126 15.335 -4.822 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -3.744 11.900 -6.949 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -3.647 12.567 -7.629 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -3.884 11.084 -7.431 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -4.574 13.280 -1.328 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -4.724 12.335 -1.348 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -4.928 13.561 -0.484 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -3.718 15.250 8.311 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -3.135 14.516 8.502 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -3.154 16.022 8.357 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -4.496 9.308 -7.832 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -3.886 8.936 -7.195 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -5.333 8.886 -7.636 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -4.864 10.863 -2.866 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -4.584 9.956 -2.741 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -4.105 11.297 -3.255 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -4.252 11.444 2.570 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -3.319 11.656 2.536 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -4.487 11.546 3.493 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -4.223 12.181 5.346 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -5.066 12.449 5.712 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -3.780 13.003 5.135 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -19.941 10.629 8.823 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -19.022 10.507 9.059 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -20.391 9.879 9.212 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -4.250 8.126 -2.817 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -4.068 7.677 -1.992 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -4.850 7.541 -3.281 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -18.720 8.941 1.714 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -18.275 8.149 2.016 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -18.254 9.657 2.145 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -20.416 11.940 2.783 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -19.924 11.719 1.993 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -20.054 12.781 3.064 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -20.139 6.936 5.182 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -20.804 6.690 5.825 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -20.582 7.558 4.605 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -9.989 7.809 1.191 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -10.664 7.180 1.446 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -9.425 7.325 0.588 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -16.965 8.157 -6.741 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -16.474 7.527 -7.269 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -16.342 8.453 -6.078 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -11.939 8.450 -4.284 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -11.761 7.804 -3.601 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -11.993 9.284 -3.817 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -17.705 6.957 8.530 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -18.071 6.192 8.973 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -16.792 6.986 8.817 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -15.732 6.308 10.066 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -14.833 6.034 9.881 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -16.118 5.565 10.530 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -4.134 21.713 8.941 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -4.916 21.527 8.421 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -4.206 22.642 9.158 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -19.749 12.579 16.767 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -20.197 13.425 16.749 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -20.310 11.999 16.252 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -8.834 22.898 19.760 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -8.214 22.221 19.487 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -9.042 22.680 20.668 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -14.966 9.782 19.252 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -14.923 10.642 18.834 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -15.424 9.230 18.619 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -18.346 12.179 20.014 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -17.692 11.629 20.446 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -18.322 11.905 19.098 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -16.156 8.700 23.326 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -16.375 9.230 22.560 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -16.824 8.927 23.974 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -8.787 18.200 16.870 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -9.083 17.878 16.019 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -9.111 19.100 16.912 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -16.562 10.592 21.279 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -15.949 11.225 21.652 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -16.050 10.120 20.622 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -15.179 18.340 24.401 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -15.185 19.219 24.023 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -16.033 18.257 24.826 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -5.433 19.633 21.896 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -6.375 19.691 22.057 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -5.157 20.539 21.759 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -12.130 6.006 20.779 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -12.247 5.057 20.725 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -12.985 6.338 21.052 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -7.181 21.414 18.521 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -6.756 20.707 18.036 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -6.864 22.215 18.104 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -6.022 19.315 17.030 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -6.279 18.625 16.418 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -5.951 18.872 17.875 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -4.336 17.881 25.507 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -4.196 17.290 24.768 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -4.168 18.754 25.151 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -9.863 14.843 15.279 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -10.575 15.378 14.928 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -9.172 14.899 14.619 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -9.809 13.301 12.318 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -9.108 13.323 12.969 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -9.507 12.673 11.662 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -2.494 14.221 23.573 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -3.146 14.916 23.662 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -2.029 14.431 22.763 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -13.565 18.851 26.464 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -13.877 19.633 26.920 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -14.215 18.698 25.778 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -7.586 14.215 13.916 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -7.007 14.365 14.663 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -7.172 14.686 13.193 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -16.645 15.049 25.693 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -16.575 15.700 26.391 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -17.536 15.152 25.358 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -9.860 20.952 17.351 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -9.386 21.247 18.129 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -10.423 21.690 17.118 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -15.326 20.923 27.228 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -15.318 20.787 26.280 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -16.242 20.805 27.480 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -19.729 17.116 24.518 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -20.230 17.088 23.703 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -19.723 16.210 24.828 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -10.802 20.136 25.960 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -10.715 20.962 26.435 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -11.666 19.806 26.209 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -10.388 23.908 15.766 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -10.463 23.787 14.820 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -10.355 24.858 15.885 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -7.286 23.062 12.769 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -6.911 22.318 12.298 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -7.282 22.792 13.687 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -7.617 22.988 15.518 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -8.552 23.088 15.697 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -7.337 22.279 16.096 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -17.480 18.439 25.561 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -17.263 18.078 26.421 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -18.335 18.065 25.351 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -14.861 6.909 21.557 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -15.722 6.822 21.149 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -14.883 7.765 21.984 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -6.109 15.248 11.546 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -6.067 15.025 10.616 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -5.260 15.646 11.736 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -9.237 12.512 16.381 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -9.646 13.327 16.089 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -8.517 12.372 15.766 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -17.020 12.195 24.519 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -17.058 12.595 25.387 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -17.511 11.378 24.609 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -13.654 9.569 11.317 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -14.085 9.124 12.047 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -14.372 9.941 10.805 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -20.412 9.311 18.369 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -19.781 9.282 19.089 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -19.962 8.886 17.639 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -19.137 10.057 13.793 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -18.663 10.648 13.208 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -19.855 10.588 14.140 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -12.191 9.523 18.650 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -13.102 9.580 18.939 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -11.686 9.463 19.461 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -17.363 11.152 17.477 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -18.252 11.252 17.137 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -17.067 10.310 17.131 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -13.710 11.152 15.133 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -12.778 11.281 15.311 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -13.925 11.822 14.484 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -15.036 12.347 12.700 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -15.578 11.967 12.009 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -14.202 12.541 12.271 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -16.901 16.904 27.799 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -16.168 17.158 28.360 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -17.681 17.108 28.314 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -15.869 8.447 16.955 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -16.186 7.545 16.920 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -15.088 8.449 16.403 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -4.551 16.045 23.422 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -3.909 16.502 22.879 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -5.381 16.158 22.960 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -7.803 9.726 12.835 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -8.741 9.838 12.684 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -7.506 10.583 13.141 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -10.181 17.096 25.873 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -10.527 16.715 26.679 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -10.381 18.030 25.944 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -7.085 11.593 14.496 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -6.193 11.456 14.815 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -7.028 12.384 13.959 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -9.575 18.371 13.661 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -9.870 19.197 14.043 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -10.278 17.751 13.857 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -19.568 14.668 25.720 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -19.345 14.250 26.552 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -20.170 14.055 25.298 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -12.551 14.185 27.933 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -12.847 14.019 27.038 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -11.620 13.965 27.923 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -7.931 19.558 25.823 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -8.832 19.741 25.555 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -7.897 19.817 26.744 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -2.200 11.803 14.190 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -2.754 11.407 13.518 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -2.099 12.713 13.913 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -2.236 17.603 27.027 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -3.088 17.841 26.660 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -1.646 17.586 26.274 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -3.904 20.589 14.655 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -4.277 19.763 14.965 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -3.627 20.406 13.758 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -18.446 14.587 12.397 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -17.830 15.214 12.776 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -19.308 14.903 12.668 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -12.259 21.537 23.701 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -11.896 22.392 23.468 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -11.727 21.245 24.442 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -6.512 18.565 12.476 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -6.159 18.185 13.280 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -7.461 18.472 12.562 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -6.056 22.188 25.871 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -6.658 21.633 25.376 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -5.775 22.855 25.245 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -17.934 9.421 25.278 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -18.827 9.760 25.211 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -18.033 8.566 25.696 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -5.646 17.238 14.702 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -5.923 16.510 15.258 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -4.719 17.357 14.908 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -12.421 19.677 10.923 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -12.182 18.929 10.375 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -12.690 19.289 11.755 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -8.415 8.814 15.265 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -8.195 9.286 14.462 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -7.857 9.209 15.936 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -10.746 20.945 14.128 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -11.563 21.442 14.181 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -10.217 21.420 13.488 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -11.215 10.542 16.100 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -10.403 11.046 16.146 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -11.460 10.397 17.014 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -10.331 7.623 17.038 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -10.678 8.241 17.683 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -9.673 8.124 16.557 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -18.099 11.778 11.902 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -18.144 12.717 12.081 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -18.987 11.542 11.632 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -4.786 22.442 21.838 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -4.942 23.120 21.181 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -3.854 22.514 22.041 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -19.072 23.113 28.066 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -18.532 22.896 28.825 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -19.553 22.307 27.876 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -10.383 21.540 11.061 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -11.027 20.909 11.383 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -9.621 21.009 10.829 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -7.898 20.412 28.415 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -8.249 19.556 28.658 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -7.172 20.555 29.022 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -5.779 21.357 11.295 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -5.496 20.563 11.748 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -5.039 21.590 10.734 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -14.824 17.267 11.152 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -14.760 16.473 11.683 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -14.171 17.148 10.463 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -12.510 16.893 28.453 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -12.838 17.164 27.595 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -12.358 15.952 28.365 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -9.472 18.314 10.888 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -9.740 18.494 11.789 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -9.678 17.388 10.757 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -6.775 16.809 25.836 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -6.030 17.397 25.716 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -7.532 17.391 25.899 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -13.675 15.239 13.458 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -14.134 14.755 14.144 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -13.420 14.571 12.822 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -14.386 13.132 25.814 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -15.004 13.807 26.095 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -14.042 13.453 24.981 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -12.604 13.482 11.721 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -12.784 13.328 10.793 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -11.653 13.590 11.765 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -9.366 15.603 29.092 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -8.413 15.687 29.064 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -9.526 14.892 29.711 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -3.214 15.837 11.166 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -3.487 15.412 10.353 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -3.174 16.768 10.949 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -14.046 10.487 26.897 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -13.896 9.758 26.294 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -14.044 11.264 26.338 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -7.636 12.111 29.657 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -7.444 11.180 29.546 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -6.779 12.536 29.647 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -6.320 14.900 27.735 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -6.601 15.609 27.157 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -5.377 14.827 27.584 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -15.568 11.685 28.808 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -16.335 11.153 28.598 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -14.889 11.375 28.209 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -12.828 6.313 24.821 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -12.926 7.260 24.715 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -13.571 5.941 24.345 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -17.387 9.606 28.513 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -17.176 8.899 27.902 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -17.499 9.168 29.357 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -12.606 5.607 27.492 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -11.894 4.967 27.478 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -12.707 5.874 26.578 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -12.253 7.290 29.546 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -12.384 6.814 28.725 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -12.852 8.034 29.490 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -12.706 24.173 12.722 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -11.773 24.331 12.866 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -12.970 24.848 12.097 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -2.755 16.706 15.141 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -1.905 17.127 15.269 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -2.750 15.966 15.749 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -2.602 17.544 21.913 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -1.768 17.166 21.632 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -2.490 18.487 21.794 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -4.115 20.422 24.220 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -4.763 20.747 24.845 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -4.633 19.982 23.545 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -2.093 14.660 13.356 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -2.614 15.017 12.637 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -2.126 15.335 14.034 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -3.744 11.900 11.907 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -3.647 12.567 11.227 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -3.884 11.084 11.425 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -19.539 15.358 21.538 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -19.355 15.276 20.603 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -18.690 15.234 21.962 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -3.718 15.250 27.167 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -3.135 14.516 27.358 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -3.154 16.022 27.213 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -2.221 13.153 27.851 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -3.084 12.774 27.686 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -1.617 12.414 27.777 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -4.250 8.126 16.039 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -4.068 7.677 16.864 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -4.850 7.541 15.575 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -18.720 8.941 20.570 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -18.275 8.149 20.872 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -18.254 9.657 21.001 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -20.416 11.940 21.639 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -19.924 11.719 20.849 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -20.054 12.781 21.920 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -5.332 23.182 17.639 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -4.679 22.835 17.031 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -4.821 23.671 18.285 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -17.947 20.111 28.182 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -18.768 20.286 27.722 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -18.199 20.038 29.103 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -10.682 22.485 27.400 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -10.497 22.151 28.278 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -9.835 22.794 27.078 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -17.591 24.342 24.488 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -18.311 24.782 24.037 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -17.957 24.091 25.337 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -15.124 23.942 23.518 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -15.989 24.014 23.922 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -15.179 24.489 22.734 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -10.413 23.830 22.694 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -10.870 24.359 22.040 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -10.250 24.433 23.419 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -8.086 22.708 23.639 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -8.990 22.873 23.373 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -7.657 23.561 23.573 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -9.989 7.809 20.047 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -10.664 7.180 20.302 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -9.425 7.325 19.444 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -4.847 5.916 20.159 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -4.243 6.464 19.658 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -5.716 6.236 19.919 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -3.120 7.055 18.493 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -2.508 6.541 17.966 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -2.737 7.933 18.516 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -7.526 6.400 19.331 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -7.450 6.495 18.382 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -7.802 5.492 19.460 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -6.173 6.426 15.024 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -6.876 7.040 14.814 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -6.618 5.588 15.155 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -10.061 23.399 12.967 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -9.195 23.765 12.789 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -10.308 22.959 12.154 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -15.732 6.308 28.922 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -14.833 6.034 28.737 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -16.118 5.565 29.386 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -7.244 9.913 36.509 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -6.598 9.584 37.134 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -6.734 10.431 35.886 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -5.480 9.204 38.490 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -5.695 8.438 39.022 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -4.824 9.676 39.003 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -9.809 13.301 31.174 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -9.108 13.323 31.825 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -9.507 12.673 30.518 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -6.109 15.248 30.402 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -6.067 15.025 29.472 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -5.260 15.646 30.592 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -10.536 9.124 31.072 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -10.790 9.143 31.995 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -10.793 8.252 30.771 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -9.237 12.512 35.237 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -9.646 13.327 34.945 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -8.517 12.372 34.622 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -13.654 9.569 30.173 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -14.085 9.124 30.903 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -14.372 9.941 29.661 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -7.085 11.593 33.352 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -6.193 11.456 33.671 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -7.028 12.384 32.815 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -2.200 11.803 33.046 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -2.754 11.407 32.374 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -2.099 12.713 32.769 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -8.415 8.814 34.121 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -8.195 9.286 33.318 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -7.857 9.209 34.792 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -11.215 10.542 34.956 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -10.403 11.046 35.002 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -11.460 10.397 35.870 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -10.331 7.623 35.894 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -10.678 8.241 36.539 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -9.673 8.124 35.413 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -9.472 18.314 29.744 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -9.740 18.494 30.645 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -9.678 17.388 29.613 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -12.604 13.482 30.577 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -12.784 13.328 29.649 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -11.653 13.590 30.621 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -3.214 15.837 30.022 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -3.487 15.412 29.209 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -3.174 16.768 29.805 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -3.744 11.900 30.763 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -3.647 12.567 30.083 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -3.884 11.084 30.281 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -4.864 10.863 34.846 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -4.584 9.956 34.971 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -4.105 11.297 34.457 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -4.847 5.916 39.015 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -4.243 6.464 38.514 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -5.716 6.236 38.775 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -3.120 7.055 37.349 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -2.508 6.541 36.822 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -2.737 7.933 37.372 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -7.526 6.400 38.187 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -7.450 6.495 37.238 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -7.802 5.492 38.316 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -11.939 8.450 33.428 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -11.761 7.804 34.111 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -11.993 9.284 33.895 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -19.072 41.969 -28.502 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -18.532 41.752 -27.743 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -19.553 41.163 -28.692 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -9.651 33.710 -16.466 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -9.689 33.064 -15.761 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -9.974 33.244 -17.237 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -16.359 37.775 -16.338 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -16.729 36.973 -16.707 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -15.418 37.606 -16.291 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -19.749 31.435 -20.945 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -20.197 32.281 -20.963 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -20.310 30.855 -21.460 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -19.039 33.597 -18.819 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -18.825 32.827 -18.292 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -18.301 33.686 -19.422 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -11.262 36.143 -16.060 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -10.958 35.457 -16.654 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -10.540 36.261 -15.442 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -2.599 27.744 -15.199 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -2.550 28.354 -14.463 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -2.173 28.205 -15.922 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -8.121 30.537 -15.732 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -7.978 29.590 -15.712 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -8.227 30.744 -16.661 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -14.966 28.638 -18.460 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -14.923 29.498 -18.878 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -15.424 28.086 -19.093 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -7.244 28.769 -20.059 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -6.598 28.440 -19.434 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -6.734 29.287 -20.682 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -18.346 31.035 -17.698 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -17.692 30.485 -17.266 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -18.322 30.761 -18.614 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -13.190 32.585 -18.482 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -12.574 32.059 -17.973 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -13.776 31.945 -18.886 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -2.207 29.222 -12.963 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -2.896 29.880 -13.058 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -2.192 29.025 -12.026 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -16.156 27.556 -14.386 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -16.375 28.086 -15.152 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -16.824 27.783 -13.738 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -13.587 35.232 -14.098 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -14.327 35.830 -13.995 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -12.873 35.786 -14.414 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -5.480 28.060 -18.078 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -5.695 27.294 -17.546 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -4.824 28.532 -17.565 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -16.562 29.448 -16.433 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -15.949 30.081 -16.060 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -16.050 28.976 -17.090 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -19.058 36.867 -22.529 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.330 37.096 -23.418 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -19.013 37.705 -22.069 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -5.433 38.489 -15.816 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -6.375 38.547 -15.655 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -5.157 39.395 -15.953 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -5.133 26.775 -14.399 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -5.869 27.386 -14.437 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -4.449 27.190 -14.925 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -2.494 33.077 -14.139 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -3.146 33.772 -14.050 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -2.029 33.287 -14.949 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -14.812 34.539 -19.598 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -15.142 34.169 -20.417 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -14.224 33.869 -19.252 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -13.445 37.967 -16.917 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -13.540 37.389 -17.674 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -12.716 37.596 -16.421 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -14.445 33.308 -15.965 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -13.880 33.429 -16.728 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -14.126 33.945 -15.326 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -8.136 38.811 -15.231 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -8.377 39.473 -14.583 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -8.334 37.977 -14.806 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -19.978 38.752 -16.310 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -19.032 38.608 -16.329 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -20.091 39.536 -15.773 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -16.734 41.553 -20.165 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -16.582 41.205 -19.286 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -17.585 41.197 -20.420 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -14.861 25.765 -16.155 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -15.722 25.678 -16.563 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -14.883 26.621 -15.728 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -14.770 30.731 -15.060 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -15.412 30.690 -14.351 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -14.733 31.657 -15.298 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -8.233 30.814 -18.517 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -8.428 31.419 -19.232 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -8.051 29.980 -18.952 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -12.191 28.379 -19.062 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -13.102 28.436 -18.773 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -11.686 28.319 -18.251 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -17.363 30.008 -20.235 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -18.252 30.108 -20.575 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -17.067 29.166 -20.581 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -4.499 43.286 -9.521 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -4.299 43.710 -10.356 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -3.843 43.629 -8.914 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -10.871 31.167 -17.175 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -10.307 30.620 -17.722 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -11.019 30.645 -16.386 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -12.245 29.555 -14.761 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -13.080 30.009 -14.651 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -11.721 29.831 -14.009 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -4.551 34.901 -14.290 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -3.909 35.358 -14.833 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -5.381 35.014 -14.752 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -16.576 35.063 -17.307 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -15.831 35.061 -17.908 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -16.498 34.239 -16.825 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -6.744 34.253 -16.035 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -7.672 34.021 -16.062 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -6.293 33.476 -16.365 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -12.259 40.393 -14.011 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -11.896 41.248 -14.244 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -11.727 40.101 -13.270 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -8.715 36.492 -14.310 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -9.141 36.265 -13.484 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -8.134 35.754 -14.493 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -6.056 41.044 -11.841 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -6.658 40.489 -12.336 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -5.775 41.711 -12.467 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -18.283 40.082 -13.999 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -18.066 39.150 -14.030 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -18.036 40.356 -13.115 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -10.331 26.479 -20.674 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -10.678 27.097 -20.029 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -9.673 26.980 -21.155 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -5.873 32.042 -17.496 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -6.670 31.627 -17.825 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -5.428 31.351 -17.005 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -4.786 41.298 -15.874 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -4.942 41.976 -16.531 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -3.854 41.370 -15.671 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -17.291 25.416 -17.137 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -17.520 25.475 -18.064 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -17.734 24.624 -16.830 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -18.361 39.356 -20.976 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -19.193 39.829 -20.949 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -17.815 39.866 -21.575 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -14.475 40.888 -8.026 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -13.707 40.429 -7.685 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -14.496 40.662 -8.956 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -14.386 31.988 -11.898 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -15.004 32.663 -11.617 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -14.042 32.309 -12.731 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -12.052 33.152 -13.083 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -11.301 32.996 -13.656 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -12.391 34.004 -13.359 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -19.138 37.665 -25.507 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -18.224 37.744 -25.234 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -19.131 36.978 -26.174 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -19.619 41.139 -18.625 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -19.953 40.258 -18.453 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -19.397 41.484 -17.761 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -2.070 41.948 -15.645 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -2.092 42.133 -14.706 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -1.380 42.517 -15.986 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -2.507 41.515 -12.723 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -2.994 40.780 -13.094 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -1.958 41.122 -12.045 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -2.602 36.400 -15.799 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.768 36.022 -16.080 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -2.490 37.343 -15.918 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -4.115 39.278 -13.492 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -4.763 39.603 -12.867 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -4.633 38.838 -14.167 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -4.252 30.300 -16.286 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -3.319 30.512 -16.320 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -4.487 30.402 -15.363 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -4.223 31.037 -13.510 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.066 31.305 -13.144 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -3.780 31.859 -13.721 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -18.720 27.797 -17.142 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -18.275 27.005 -16.840 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -18.254 28.513 -16.711 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -20.416 30.796 -16.073 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -19.924 30.575 -16.863 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -20.054 31.637 -15.792 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -14.993 39.942 -13.271 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -15.418 40.751 -13.554 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -14.088 40.027 -13.573 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -10.682 41.341 -10.312 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -10.497 41.007 -9.434 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -9.835 41.650 -10.634 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -8.337 42.626 -11.068 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -7.660 41.994 -11.308 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -8.015 43.028 -10.260 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -3.419 25.216 -11.988 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -4.232 25.541 -12.376 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -3.186 24.456 -12.521 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -17.591 43.198 -13.224 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -18.311 43.638 -13.675 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -17.957 42.947 -12.375 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -15.124 42.798 -14.194 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -15.989 42.870 -13.790 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -15.179 43.345 -14.978 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -10.413 42.686 -15.018 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -10.870 43.215 -15.672 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -10.250 43.289 -14.293 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -8.086 41.564 -14.073 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -8.990 41.729 -14.339 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -7.657 42.417 -14.139 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -5.481 43.134 -13.778 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -5.663 44.050 -13.989 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -5.305 42.724 -14.625 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -18.176 41.821 -16.313 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -18.195 41.396 -15.456 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -17.371 41.503 -16.722 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -13.498 41.001 -16.810 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -13.285 40.113 -17.097 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -13.433 40.967 -15.855 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -9.989 26.665 -17.665 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -10.664 26.036 -17.410 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -9.425 26.181 -18.268 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -4.847 24.772 -17.553 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -4.243 25.320 -18.054 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -5.716 25.092 -17.793 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -13.083 25.226 -20.030 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -12.209 25.614 -20.060 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -13.219 25.011 -19.107 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -7.526 25.256 -18.381 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -7.450 25.351 -19.330 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -7.802 24.348 -18.252 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -18.925 41.045 -23.142 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -19.610 41.007 -23.810 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -18.922 41.958 -22.854 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -17.107 41.965 -26.117 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -17.375 42.252 -25.244 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -16.336 41.419 -25.965 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -8.834 41.754 0.904 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -8.214 41.077 0.631 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -9.042 41.536 1.812 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -2.207 29.222 5.893 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -2.896 29.880 5.798 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -2.192 29.025 6.830 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -5.433 38.489 3.040 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -6.375 38.547 3.201 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -5.157 39.395 2.903 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -4.336 36.737 6.651 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -4.196 36.146 5.912 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -4.168 37.610 6.295 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -2.494 33.077 4.717 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -3.146 33.772 4.806 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -2.029 33.287 3.907 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -8.136 38.811 3.625 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -8.377 39.473 4.273 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -8.334 37.977 4.050 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -13.565 37.707 7.608 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -13.877 38.489 8.064 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -14.215 37.554 6.922 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -15.326 39.779 8.372 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -15.318 39.643 7.424 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -16.242 39.661 8.624 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -19.729 35.972 5.662 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -20.230 35.944 4.847 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -19.723 35.066 5.972 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -19.978 38.752 2.546 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -19.032 38.608 2.527 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -20.091 39.536 3.083 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -10.802 38.992 7.104 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -10.715 39.818 7.579 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -11.666 38.662 7.353 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -10.388 42.764 -3.090 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -10.463 42.643 -4.036 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -10.355 43.714 -2.971 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -16.734 41.553 -1.309 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -16.582 41.205 -0.430 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -17.585 41.197 -1.564 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -4.629 30.911 8.708 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -5.036 31.392 7.988 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -4.588 30.006 8.401 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -17.480 37.295 6.705 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -17.263 36.934 7.565 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -18.335 36.921 6.495 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -10.135 31.543 9.013 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -10.698 30.839 9.333 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -9.309 31.423 9.480 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -16.901 35.760 8.943 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -16.168 36.014 9.504 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -17.681 35.964 9.458 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -4.551 34.901 4.566 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -3.909 35.358 4.023 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -5.381 35.014 4.104 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -10.181 35.952 7.017 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -10.527 35.571 7.823 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -10.381 36.886 7.088 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -12.551 33.041 9.077 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -12.847 32.875 8.182 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -11.620 32.821 9.067 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -7.931 38.414 6.967 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -8.832 38.597 6.699 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -7.897 38.673 7.888 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -2.236 36.459 8.171 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -3.088 36.697 7.804 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -1.646 36.442 7.418 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -2.008 41.901 -6.179 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -1.265 42.487 -6.319 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -2.703 42.469 -5.846 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -18.283 40.082 4.857 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -18.066 39.150 4.826 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -18.036 40.356 5.741 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -13.408 40.844 -4.746 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -13.247 41.644 -5.247 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -13.605 41.151 -3.861 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -4.786 41.298 2.982 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -4.942 41.976 2.325 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -3.854 41.370 3.185 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -19.165 35.779 10.164 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -19.021 34.877 9.878 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -19.938 36.065 9.676 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -12.510 35.749 9.597 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -12.838 36.020 8.739 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -12.358 34.808 9.509 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -6.775 35.665 6.980 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -6.030 36.253 6.860 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -7.532 36.247 7.043 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -18.333 32.979 9.584 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -17.925 32.122 9.463 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -18.593 32.994 10.505 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -9.366 34.459 10.236 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -8.413 34.543 10.208 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -9.526 33.748 10.855 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -7.636 30.967 10.801 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -7.444 30.036 10.690 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.779 31.392 10.791 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -6.320 33.756 8.879 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.601 34.465 8.301 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -5.377 33.683 8.728 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -15.568 30.541 9.952 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -16.335 30.009 9.742 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -14.889 30.231 9.353 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -11.564 29.491 9.528 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -11.800 29.271 10.430 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -12.347 29.284 9.019 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -8.848 28.618 8.604 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -9.796 28.650 8.736 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -8.536 27.993 9.258 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -7.214 27.252 10.609 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.311 26.300 10.603 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -7.536 27.521 11.470 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -17.387 28.462 9.657 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -17.176 27.755 9.046 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -17.499 28.024 10.501 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -12.253 26.146 10.690 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -12.384 25.670 9.869 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -12.852 26.890 10.634 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -12.706 43.029 -6.134 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -11.773 43.187 -5.990 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -12.970 43.704 -6.759 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -19.619 41.139 0.231 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -19.953 40.258 0.403 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -19.397 41.484 1.095 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -2.070 41.948 3.211 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -2.092 42.133 4.150 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -1.380 42.517 2.870 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -2.602 36.400 3.057 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -1.768 36.022 2.776 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -2.490 37.343 2.938 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -4.115 39.278 5.364 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -4.763 39.603 5.989 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -4.633 38.838 4.689 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -3.718 34.106 8.311 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -3.135 33.372 8.502 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.154 34.878 8.357 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -2.221 32.009 8.995 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -3.084 31.630 8.830 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -1.617 31.270 8.921 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -19.941 29.485 8.823 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -19.022 29.363 9.059 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -20.391 28.735 9.212 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -1.940 25.017 10.700 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -1.590 24.363 10.094 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -1.793 25.854 10.260 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -2.420 27.126 9.049 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -3.337 27.397 9.013 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -2.297 26.591 8.265 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -5.332 42.038 -1.217 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -4.679 41.691 -1.825 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -4.821 42.527 -0.571 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -17.947 38.967 9.326 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -18.768 39.142 8.866 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -18.199 38.894 10.247 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -10.682 41.341 8.544 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -10.497 41.007 9.422 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -9.835 41.650 8.222 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -17.591 43.198 5.632 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -18.311 43.638 5.181 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -17.957 42.947 6.481 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -15.124 42.798 4.662 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -15.989 42.870 5.066 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -15.179 43.345 3.878 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -10.413 42.686 3.838 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -10.870 43.215 3.184 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -10.250 43.289 4.563 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -8.086 41.564 4.783 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -8.990 41.729 4.517 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -7.657 42.417 4.717 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -18.176 41.821 2.543 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -18.195 41.396 3.400 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -17.371 41.503 2.134 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -10.061 42.255 -5.889 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -9.195 42.621 -6.067 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -10.308 41.815 -6.702 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -3.352 41.818 -3.209 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -3.546 41.070 -3.774 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -3.391 42.576 -3.793 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -15.732 25.164 10.066 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -14.833 24.890 9.881 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -16.118 24.421 10.530 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -17.107 41.965 -7.261 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -17.375 42.252 -6.388 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -16.336 41.419 -7.109 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -7.310 24.496 10.248 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -7.234 24.070 11.102 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -6.417 24.510 9.906 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -19.749 31.435 16.767 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -20.197 32.281 16.749 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -20.310 30.855 16.252 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -19.039 33.597 18.893 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -18.825 32.827 19.420 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -18.301 33.686 18.290 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -14.966 28.638 19.252 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -14.923 29.498 18.834 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -15.424 28.086 18.619 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -18.346 31.035 20.014 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -17.692 30.485 20.446 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -18.322 30.761 19.098 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -16.156 27.556 23.326 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -16.375 28.086 22.560 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -16.824 27.783 23.974 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -12.130 24.862 20.779 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -12.247 23.913 20.725 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -12.985 25.194 21.052 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -9.809 32.157 12.318 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -9.108 32.179 12.969 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -9.507 31.529 11.662 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -14.861 25.765 21.557 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -15.722 25.678 21.149 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -14.883 26.621 21.984 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -6.109 34.104 11.546 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -6.067 33.881 10.616 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -5.260 34.502 11.736 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -10.536 27.980 12.216 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -10.790 27.999 13.139 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -10.793 27.108 11.915 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -13.654 28.425 11.317 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -14.085 27.980 12.047 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -14.372 28.797 10.805 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -17.363 30.008 17.477 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -18.252 30.108 17.137 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -17.067 29.166 17.131 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -15.036 31.203 12.700 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -15.578 30.823 12.009 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -14.202 31.397 12.271 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -15.869 27.303 16.955 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -16.186 26.401 16.920 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -15.088 27.305 16.403 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -18.446 33.443 12.397 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -17.830 34.070 12.776 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -19.308 33.759 12.668 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -17.934 28.277 25.278 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -18.827 28.616 25.211 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -18.033 27.422 25.696 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -12.421 38.533 10.923 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -12.182 37.785 10.375 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -12.690 38.145 11.755 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -10.331 26.479 17.038 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -10.678 27.097 17.683 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -9.673 26.980 16.557 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -14.674 27.542 13.726 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -14.757 28.431 14.072 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -13.784 27.277 13.957 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -18.099 30.634 11.902 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -18.144 31.573 12.081 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -18.987 30.398 11.632 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -17.291 25.416 20.575 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -17.520 25.475 19.648 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -17.734 24.624 20.882 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -14.824 36.123 11.152 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -14.760 35.329 11.683 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -14.171 36.004 10.463 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -9.472 37.170 10.888 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -9.740 37.350 11.789 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -9.678 36.244 10.757 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -12.604 32.338 11.721 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -12.784 32.184 10.793 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -11.653 32.446 11.765 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -3.214 34.693 11.166 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -3.487 34.268 10.353 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -3.174 35.624 10.949 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -13.634 27.713 24.389 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -13.098 28.164 23.737 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -14.486 27.605 23.967 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -12.828 25.169 24.821 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -12.926 26.116 24.715 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -13.571 24.797 24.345 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -4.496 28.164 11.024 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -3.886 27.792 11.661 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -5.333 27.742 11.220 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -18.720 27.797 20.570 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -18.275 27.005 20.872 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -18.254 28.513 21.001 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -20.416 30.796 21.639 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -19.924 30.575 20.849 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -20.054 31.637 21.920 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -20.139 25.792 24.038 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -20.804 25.546 24.681 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -20.582 26.414 23.461 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -17.663 25.299 17.869 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -18.440 25.065 17.361 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -17.132 24.502 17.877 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -13.083 25.226 17.682 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -12.209 25.614 17.652 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -13.219 25.011 18.605 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -16.965 27.013 12.115 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -16.474 26.383 11.587 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -16.342 27.309 12.778 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -11.939 27.306 14.572 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -11.761 26.660 15.255 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -11.993 28.140 15.039 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -17.705 25.813 27.386 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -18.071 25.048 27.829 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -16.792 25.842 27.673 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -19.941 48.341 -28.889 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -19.022 48.219 -28.653 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -20.391 47.591 -28.500 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -19.749 50.291 -20.945 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -20.197 51.137 -20.963 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -20.310 49.711 -21.460 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -18.346 49.891 -17.698 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -17.692 49.341 -17.266 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -18.322 49.617 -18.614 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -16.156 46.412 -14.386 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -16.375 46.942 -15.152 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -16.824 46.639 -13.738 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -16.562 48.304 -16.433 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -15.949 48.937 -16.060 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -16.050 47.832 -17.090 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -16.645 52.761 -12.019 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -16.575 53.412 -11.321 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -17.536 52.864 -12.354 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -14.861 44.621 -16.155 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -15.722 44.534 -16.563 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -14.883 45.477 -15.728 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -10.198 44.343 -12.781 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -9.778 43.928 -12.028 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -11.131 44.165 -12.664 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -17.020 49.907 -13.193 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -17.058 50.307 -12.325 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -17.511 49.090 -13.103 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -20.412 47.023 -19.343 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -19.781 46.994 -18.623 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -19.962 46.598 -20.073 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -19.137 47.769 -23.919 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -18.663 48.360 -24.504 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -19.855 48.300 -23.572 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -17.363 48.864 -20.235 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -18.252 48.964 -20.575 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -17.067 48.022 -20.581 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -19.568 52.380 -11.992 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -19.345 51.962 -11.160 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -20.170 51.767 -12.414 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -18.099 49.490 -25.810 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -18.144 50.429 -25.631 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -18.987 49.254 -26.080 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -17.291 44.272 -17.137 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -17.520 44.331 -18.064 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -17.734 43.480 -16.830 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -19.165 54.635 -8.692 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -19.021 53.733 -8.978 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -19.938 54.921 -9.180 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -18.333 51.835 -9.272 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -17.925 50.978 -9.393 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -18.593 51.850 -8.351 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -14.386 50.844 -11.898 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -15.004 51.519 -11.617 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -14.042 51.165 -12.731 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -14.046 48.199 -10.815 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -13.896 47.470 -11.418 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -14.044 48.976 -11.374 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -13.634 46.569 -13.323 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -13.098 47.020 -13.975 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -14.486 46.461 -13.745 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -15.568 49.397 -8.904 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -16.335 48.865 -9.114 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -14.889 49.087 -9.503 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -12.828 44.025 -12.891 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -12.926 44.972 -12.997 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -13.571 43.653 -13.367 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -12.606 43.319 -10.220 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -11.894 42.679 -10.234 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -12.707 43.586 -11.134 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -1.940 43.873 -8.156 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -1.590 43.219 -8.762 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -1.793 44.710 -8.596 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -18.720 46.653 -17.142 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -18.275 45.861 -16.840 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -18.254 47.369 -16.711 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -20.416 49.652 -16.073 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -19.924 49.431 -16.863 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -20.054 50.493 -15.792 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -20.103 45.910 -22.018 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -21.028 46.119 -22.148 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -19.649 46.394 -22.708 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -3.419 44.072 -11.988 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -4.232 44.397 -12.376 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -3.186 43.312 -12.521 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -17.663 44.155 -19.843 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -18.440 43.921 -20.351 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -17.132 43.358 -19.835 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -18.826 43.953 -24.040 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -18.387 44.564 -24.631 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -19.460 44.491 -23.566 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -16.965 45.869 -25.597 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -16.474 45.239 -26.125 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -16.342 46.165 -24.934 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -15.732 44.020 -8.790 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -14.833 43.746 -8.975 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -16.118 43.277 -8.326 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -7.310 43.352 -8.608 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -7.234 42.926 -7.754 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -6.417 43.366 -8.950 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -19.749 50.291 -2.089 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -20.197 51.137 -2.107 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -20.310 49.711 -2.604 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -12.130 43.718 1.923 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -12.247 42.769 1.869 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -12.985 44.050 2.196 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -3.888 43.677 -5.127 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -4.787 43.816 -4.832 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -3.636 44.508 -5.529 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -14.861 44.621 2.701 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -15.722 44.534 2.293 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -14.883 45.477 3.128 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -13.654 47.281 -7.539 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -14.085 46.836 -6.809 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -14.372 47.653 -8.051 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -20.412 47.023 -0.487 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -19.781 46.994 0.233 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -19.962 46.598 -1.217 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -19.137 47.769 -5.063 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -18.663 48.360 -5.648 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -19.855 48.300 -4.716 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -15.036 50.059 -6.156 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -15.578 49.679 -6.847 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -14.202 50.253 -6.585 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -15.869 46.159 -1.901 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -16.186 45.257 -1.936 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -15.088 46.161 -2.453 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -18.446 52.299 -6.459 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -17.830 52.926 -6.080 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -19.308 52.615 -6.188 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -10.331 45.335 -1.818 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -10.678 45.953 -1.173 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -9.673 45.836 -2.299 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -14.674 46.398 -5.130 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -14.757 47.287 -4.784 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -13.784 46.133 -4.899 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -18.099 49.490 -6.954 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -18.144 50.429 -6.775 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -18.987 49.254 -7.224 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -17.291 44.272 1.719 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -17.520 44.331 0.792 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -17.734 43.480 2.026 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -12.828 44.025 5.965 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -12.926 44.972 5.859 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -13.571 43.653 5.489 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -12.606 43.319 8.636 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -11.894 42.679 8.622 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -12.707 43.586 7.722 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -20.103 45.910 -3.162 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -21.028 46.119 -3.292 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -19.649 46.394 -3.852 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -9.989 45.521 1.191 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -10.664 44.892 1.446 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -9.425 45.037 0.588 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -4.847 43.628 1.303 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -4.243 44.176 0.802 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -5.716 43.948 1.063 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -17.663 44.155 -0.987 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -18.440 43.921 -1.495 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -17.132 43.358 -0.979 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -13.083 44.082 -1.174 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -12.209 44.470 -1.204 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -13.219 43.867 -0.251 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -7.526 44.112 0.475 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -7.450 44.207 -0.474 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -7.802 43.204 0.604 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -6.173 44.138 -3.832 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -6.876 44.752 -4.042 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -6.618 43.300 -3.701 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -16.965 45.869 -6.741 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -16.474 45.239 -7.269 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -16.342 46.165 -6.078 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 2.497 -18.793 21.374 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 2.127 -19.595 21.005 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 3.438 -18.962 21.421 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 5.269 -21.336 23.614 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 4.529 -20.738 23.717 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 5.983 -20.782 23.298 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 3.677 -19.372 24.401 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 3.671 -18.493 24.023 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 2.823 -19.455 24.826 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 10.720 -17.757 22.481 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 10.479 -17.095 23.129 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 10.522 -18.591 22.906 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 2.211 -22.663 25.693 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 2.281 -22.012 26.391 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 1.320 -22.560 25.358 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -0.873 -20.596 24.518 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -1.374 -20.624 23.703 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -0.867 -21.502 24.828 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -1.122 -17.816 21.402 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -0.176 -17.960 21.383 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -1.235 -17.032 21.939 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 1.376 -19.273 25.561 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 1.593 -19.634 26.421 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 0.521 -19.647 25.351 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 8.721 -25.025 27.869 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 8.158 -25.729 28.189 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 9.547 -25.145 28.336 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 8.675 -20.616 25.873 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 8.329 -20.997 26.679 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 8.475 -19.682 25.944 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -0.712 -23.044 25.720 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -0.489 -23.462 26.552 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -1.314 -23.657 25.298 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 6.305 -23.527 27.933 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 6.009 -23.693 27.038 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 7.236 -23.747 27.923 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 10.925 -18.154 25.823 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 10.024 -17.971 25.555 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 10.959 -17.895 26.744 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 6.597 -16.175 23.701 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 6.960 -15.320 23.468 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 7.129 -16.467 24.442 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 10.141 -20.076 23.402 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 9.715 -20.303 24.228 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 10.722 -20.814 23.219 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 12.800 -15.524 25.871 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 12.198 -16.079 25.376 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 13.081 -14.857 25.245 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 0.573 -16.486 23.713 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 0.790 -17.418 23.682 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 0.820 -16.212 24.597 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 8.177 -26.184 25.285 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 8.296 -25.610 26.042 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 8.832 -26.872 25.400 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 10.958 -17.300 28.415 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 10.607 -18.156 28.658 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 11.684 -17.157 29.022 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -0.309 -20.789 29.020 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -0.165 -21.691 28.734 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -1.082 -20.503 28.532 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 12.081 -20.903 25.836 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 12.826 -20.315 25.716 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 11.324 -20.321 25.899 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 0.523 -23.589 28.440 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 0.931 -24.446 28.319 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 0.263 -23.574 29.361 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 4.470 -24.580 25.814 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 3.852 -23.905 26.095 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 4.814 -24.259 24.981 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 4.810 -27.225 26.897 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 4.960 -27.954 26.294 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 4.812 -26.448 26.338 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 6.804 -23.416 24.629 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 7.555 -23.572 24.056 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 6.465 -22.564 24.353 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 11.220 -25.601 29.657 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 11.412 -26.532 29.546 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 12.077 -25.176 29.647 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 12.536 -22.812 27.735 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 12.255 -22.103 27.157 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 13.479 -22.885 27.584 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 3.288 -26.027 28.808 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 2.521 -26.559 28.598 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 3.967 -26.337 28.209 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 7.292 -27.077 28.384 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 7.056 -27.297 29.286 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 6.509 -27.284 27.875 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 14.800 -19.263 29.627 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 13.934 -19.368 30.021 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 15.176 -18.504 30.074 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 3.863 -16.626 24.441 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 3.438 -15.817 24.158 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 4.768 -16.541 24.139 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 8.174 -15.227 27.400 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 8.359 -15.561 28.278 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 9.021 -14.918 27.078 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 10.519 -13.942 26.644 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 11.196 -14.574 26.404 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 10.841 -13.540 27.452 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 8.443 -13.882 22.694 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 7.986 -13.353 22.040 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 8.606 -13.279 23.419 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 10.770 -15.004 23.639 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 9.866 -14.839 23.373 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 11.199 -14.151 23.573 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 0.680 -14.747 21.399 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 0.661 -15.172 22.256 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 1.485 -15.065 20.990 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 2.821 -16.037 20.054 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 2.602 -16.953 20.223 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 3.645 -15.897 20.520 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 5.358 -15.567 20.902 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 5.571 -16.455 20.615 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 5.423 -15.601 21.857 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 10.272 -22.113 36.683 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 10.361 -21.169 36.551 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 9.633 -22.388 36.025 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 2.497 -18.793 40.230 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 2.127 -19.595 39.861 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 3.438 -18.962 40.277 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -0.893 -25.133 35.623 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -1.341 -24.287 35.605 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -1.454 -25.713 35.108 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -0.183 -22.971 37.749 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 0.031 -23.741 38.276 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 0.555 -22.882 37.146 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 7.594 -20.425 40.508 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 7.898 -21.111 39.914 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 8.316 -20.307 41.126 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 5.666 -23.983 38.086 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 6.282 -24.509 38.595 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 5.080 -24.623 37.682 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 10.069 -19.512 35.726 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 9.773 -19.834 34.875 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 9.745 -18.612 35.768 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 12.834 -18.397 35.886 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 12.577 -19.087 35.274 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 12.905 -18.840 36.731 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 8.993 -22.869 34.135 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 8.281 -22.334 33.784 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 9.684 -22.813 33.475 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 9.047 -24.411 31.174 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 9.748 -24.389 31.825 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 9.349 -25.039 30.518 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 12.399 -22.659 35.087 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 11.667 -22.431 35.660 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 12.846 -23.373 35.542 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 4.044 -22.029 36.970 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 3.714 -22.399 36.151 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 4.632 -22.699 37.316 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 5.411 -18.601 39.651 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 5.316 -19.179 38.894 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 6.140 -18.972 40.147 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 11.270 -23.497 32.772 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 11.849 -23.347 33.519 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 11.684 -23.026 32.049 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 8.996 -16.760 36.207 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 9.470 -16.465 36.985 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 8.433 -16.022 35.974 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -1.122 -17.816 40.258 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -0.176 -17.960 40.239 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -1.235 -17.032 40.795 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 8.468 -13.804 34.622 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 8.393 -13.925 33.676 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 8.501 -12.854 34.741 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 11.570 -14.650 31.625 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 11.945 -15.394 31.154 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 11.574 -14.920 32.543 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 11.239 -14.724 34.374 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 10.304 -14.624 34.553 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 11.519 -15.433 34.952 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 12.747 -22.464 30.402 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 12.789 -22.687 29.472 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 13.596 -22.066 30.592 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 4.083 -25.616 36.420 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 3.190 -25.957 36.361 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 4.534 -25.993 35.664 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 9.619 -25.200 35.237 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 9.210 -24.385 34.945 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 10.339 -25.340 34.622 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 5.202 -28.143 30.173 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 4.771 -28.588 30.903 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 4.484 -27.771 29.661 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 1.493 -26.560 36.333 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 0.604 -26.460 35.993 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 1.789 -27.402 35.987 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 5.146 -26.560 33.989 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 6.078 -26.431 34.167 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 4.931 -25.890 33.340 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 3.820 -25.365 31.556 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 3.278 -25.745 30.865 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 4.654 -25.171 31.127 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 2.280 -21.505 39.261 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 3.025 -21.507 38.660 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 2.358 -22.329 39.743 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 0.410 -23.125 31.253 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 1.026 -22.498 31.632 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.452 -22.809 31.524 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 12.344 -19.147 31.332 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 12.697 -19.527 32.136 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 11.395 -19.240 31.418 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 13.210 -20.474 33.558 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 12.933 -21.202 34.114 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 14.137 -20.355 33.764 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 7.641 -27.170 34.956 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 8.453 -26.666 35.002 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 7.396 -27.315 35.870 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 0.757 -25.934 30.758 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 0.712 -24.995 30.937 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -0.131 -26.170 30.488 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 13.077 -16.355 30.151 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 13.360 -17.149 30.604 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 13.817 -16.122 29.590 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 6.252 -24.230 30.577 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 6.072 -24.384 29.649 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 7.203 -24.122 30.621 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -1.633 -13.510 36.138 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -2.280 -13.972 35.605 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -1.278 -14.182 36.721 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -0.763 -15.429 37.943 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -1.097 -16.310 38.115 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -0.541 -15.084 38.807 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 0.680 -14.747 40.255 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 0.661 -15.172 41.112 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 1.485 -15.065 39.846 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 2.821 -16.037 38.910 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 2.602 -16.953 39.079 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 3.645 -15.897 39.376 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 5.358 -15.567 39.758 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 5.571 -16.455 39.471 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 5.423 -15.601 40.713 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 8.795 -14.313 31.823 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 9.661 -13.947 31.645 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 8.548 -14.753 31.010 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 1.573 -4.387 22.839 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 1.615 -5.013 23.563 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 2.276 -3.764 23.021 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 7.594 -1.569 21.652 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 7.898 -2.255 21.058 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 8.316 -1.451 22.270 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 0.510 -6.677 20.014 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 1.164 -7.227 20.446 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 0.534 -6.951 19.098 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 2.700 -10.156 23.326 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 2.481 -9.626 22.560 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 2.032 -9.929 23.974 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 5.269 -2.480 23.614 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 4.529 -1.882 23.717 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 5.983 -1.926 23.298 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 2.294 -8.264 21.279 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 2.907 -7.631 21.652 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 2.806 -8.736 20.622 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 6.726 -12.850 20.779 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 6.609 -13.799 20.725 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 5.871 -12.518 21.052 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 5.411 0.255 20.795 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 5.316 -0.323 20.038 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 6.140 -0.116 21.291 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 4.411 -4.404 21.747 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 4.976 -4.283 20.984 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 4.730 -3.767 22.386 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 10.720 1.099 22.481 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 10.479 1.761 23.129 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 10.522 0.265 22.906 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 2.211 -3.807 25.693 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 2.281 -3.156 26.391 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 1.320 -3.704 25.358 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -1.122 1.040 21.402 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -0.176 0.896 21.383 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -1.235 1.824 21.939 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 8.054 1.280 25.960 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 8.141 2.106 26.435 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 7.190 0.950 26.209 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 2.122 3.841 17.547 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 2.274 3.493 18.426 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 1.271 3.485 17.292 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 3.995 -11.947 21.557 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 3.134 -12.034 21.149 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 3.973 -11.091 21.984 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 8.658 -12.225 24.931 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 9.078 -12.640 25.684 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 7.725 -12.403 25.048 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 4.086 -6.981 22.652 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 3.444 -7.022 23.361 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 4.123 -6.055 22.414 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 8.721 -6.169 27.869 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 8.158 -6.873 28.189 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 9.547 -6.289 28.336 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 1.836 -6.661 24.519 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 1.798 -6.261 25.387 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 1.345 -7.478 24.609 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 6.611 -8.157 22.951 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 5.776 -7.703 23.061 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 7.135 -7.881 23.703 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 8.675 -1.760 25.873 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 8.329 -2.141 26.679 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 8.475 -0.826 25.944 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 2.280 -2.649 20.405 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 3.025 -2.651 19.804 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 2.358 -3.473 20.887 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 6.305 -4.671 27.933 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 6.009 -4.837 27.038 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 7.236 -4.891 27.923 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 10.925 0.702 25.823 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 10.024 0.885 25.555 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 10.959 0.961 26.744 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 4.655 0.869 17.810 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 5.182 1.642 17.609 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 3.775 1.094 17.508 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 10.141 -1.220 23.402 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 9.715 -1.447 24.228 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 10.722 -1.958 23.219 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 9.657 -9.694 24.168 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 10.355 -9.620 24.818 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 9.276 -10.558 24.323 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 8.177 -7.328 25.285 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 8.296 -6.754 26.042 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 8.832 -8.016 25.400 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 1.565 -12.296 20.575 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 1.336 -12.237 19.648 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 1.122 -13.088 20.882 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 10.958 1.556 28.415 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 10.607 0.700 28.658 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 11.684 1.699 29.022 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 6.346 -1.963 28.453 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 6.018 -1.692 27.595 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 6.498 -2.904 28.365 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 4.470 -5.724 25.814 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 3.852 -5.049 26.095 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 4.814 -5.403 24.981 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 9.490 -3.253 29.092 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 10.443 -3.169 29.064 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 9.330 -3.964 29.711 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 4.810 -8.369 26.897 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 4.960 -9.098 26.294 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 4.812 -7.592 26.338 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 5.222 -9.999 24.389 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 5.758 -9.548 23.737 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 4.370 -10.107 23.967 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 6.804 -4.560 24.629 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 7.555 -4.716 24.056 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 6.465 -3.708 24.353 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 11.220 -6.745 29.657 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 11.412 -7.676 29.546 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 12.077 -6.320 29.647 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 7.292 -8.221 28.384 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 7.056 -8.441 29.286 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 6.509 -8.428 27.875 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 10.008 -9.094 27.460 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 9.060 -9.062 27.592 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 10.320 -9.719 28.114 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 11.642 -10.460 29.465 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 11.545 -11.412 29.459 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 11.320 -10.191 30.326 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -1.633 5.346 17.282 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -2.280 4.884 16.749 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -1.278 4.674 17.865 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -0.763 3.427 19.087 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -1.097 2.546 19.259 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -0.541 3.772 19.951 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -0.683 -3.498 21.538 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -0.499 -3.580 20.603 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 0.166 -3.622 21.962 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 0.136 -9.915 20.570 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 0.581 -10.707 20.872 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 0.602 -9.199 21.001 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -1.560 -6.916 21.639 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -1.068 -7.137 20.849 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -1.198 -6.075 21.920 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 8.174 3.629 27.400 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 8.359 3.295 28.278 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 9.021 3.938 27.078 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 10.519 4.914 26.644 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 11.196 4.282 26.404 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 10.841 5.316 27.452 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 8.443 4.974 22.694 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 7.986 5.503 22.040 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 8.606 5.577 23.419 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 10.770 3.852 23.639 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 9.866 4.017 23.373 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 11.199 4.705 23.573 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 0.680 4.109 21.399 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 0.661 3.684 22.256 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 1.485 3.791 20.990 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 2.821 2.819 20.054 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 2.602 1.903 20.223 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 3.645 2.959 20.520 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 5.358 3.289 20.902 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 5.571 2.401 20.615 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 5.423 3.255 21.857 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 11.546 -13.216 29.104 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 11.622 -13.642 29.958 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 12.439 -13.202 28.762 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 1.573 -4.387 41.695 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 1.615 -5.013 42.419 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 2.276 -3.764 41.877 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 2.497 0.063 40.230 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 2.127 -0.739 39.861 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 3.438 -0.106 40.277 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 3.890 -9.074 38.108 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 3.933 -8.214 37.690 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 3.432 -9.626 37.475 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 11.612 -8.943 36.509 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 12.258 -9.272 37.134 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 12.122 -8.425 35.886 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 0.510 -6.677 38.870 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 1.164 -7.227 39.302 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 0.534 -6.951 37.954 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 5.666 -5.127 38.086 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 6.282 -5.653 38.595 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 5.080 -5.767 37.682 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 2.294 -8.264 40.135 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 2.907 -7.631 40.508 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 2.806 -8.736 39.478 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 6.726 -12.850 39.635 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 6.609 -13.799 39.581 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 5.871 -12.518 39.908 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 8.993 -4.013 34.135 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 8.281 -3.478 33.784 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 9.684 -3.957 33.475 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 9.047 -5.555 31.174 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 9.748 -5.533 31.825 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 9.349 -6.183 30.518 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 4.044 -3.173 36.970 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 3.714 -3.543 36.151 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 4.632 -3.843 37.316 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 4.411 -4.404 40.603 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 4.976 -4.283 39.840 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 4.730 -3.767 41.242 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 11.270 -4.641 32.772 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 11.849 -4.491 33.519 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 11.684 -4.170 32.049 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -1.122 1.040 40.258 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -0.176 0.896 40.239 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -1.235 1.824 40.795 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 2.122 3.841 36.403 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 2.274 3.493 37.282 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 1.271 3.485 36.148 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 3.995 -11.947 40.413 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 3.134 -12.034 40.005 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 3.973 -11.091 40.840 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 4.086 -6.981 41.508 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 3.444 -7.022 42.217 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 4.123 -6.055 41.270 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 9.619 -6.344 35.237 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 9.210 -5.529 34.945 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 10.339 -6.484 34.622 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -1.556 -9.545 37.225 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -0.925 -9.574 37.945 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -1.106 -9.970 36.495 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 6.665 -9.333 37.506 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 5.754 -9.276 37.795 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 7.170 -9.393 38.317 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 7.155 -1.944 33.492 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 6.411 -2.451 33.169 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 7.021 -1.895 34.438 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 11.053 -9.130 31.691 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 10.115 -9.018 31.540 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 11.350 -8.273 31.997 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 11.771 -7.263 33.352 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 12.663 -7.400 33.671 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 11.828 -6.472 32.815 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 2.280 -2.649 39.261 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 3.025 -2.651 38.660 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 2.358 -3.473 39.743 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 4.655 0.869 36.666 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 5.182 1.642 36.465 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 3.775 1.094 36.364 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 6.082 -1.468 36.242 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 5.841 -0.543 36.284 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 5.342 -1.927 36.638 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 6.435 0.821 29.779 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 6.674 0.073 29.231 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 6.166 0.433 30.611 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 5.372 0.391 32.235 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 5.519 -0.129 33.025 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 5.369 1.298 32.541 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 10.441 -10.042 34.121 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 10.661 -9.570 33.318 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 10.999 -9.647 34.792 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 8.525 -11.233 35.894 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 8.178 -10.615 36.539 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 9.183 -10.732 35.413 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 5.448 3.132 32.966 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 5.609 3.932 32.465 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 5.251 3.439 33.851 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 1.565 -12.296 39.431 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 1.336 -12.237 38.504 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 1.122 -13.088 39.738 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 0.495 1.644 35.592 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -0.337 2.117 35.619 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 1.041 2.154 34.993 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 8.473 2.684 29.917 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 7.829 2.053 30.239 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 9.235 2.153 29.685 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 9.384 -0.542 29.744 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 9.116 -0.362 30.645 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 9.178 -1.468 29.613 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 5.181 -3.617 32.314 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 4.722 -4.101 33.000 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 5.436 -4.285 31.678 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 6.150 5.317 31.578 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 7.083 5.475 31.722 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 5.886 5.992 30.953 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -1.633 5.346 36.138 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -2.280 4.884 35.605 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -1.278 4.674 36.721 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -0.763 3.427 37.943 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -1.097 2.546 38.115 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -0.541 3.772 38.807 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -0.683 -3.498 40.394 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.499 -3.580 39.459 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 0.166 -3.622 40.818 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 0.136 -9.915 39.426 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 0.581 -10.707 39.728 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 0.602 -9.199 39.857 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -1.560 -6.916 40.495 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -1.068 -7.137 39.705 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -1.198 -6.075 40.776 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 8.867 -11.047 38.903 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 8.192 -11.676 39.158 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 9.431 -11.531 38.300 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 1.193 -12.413 36.725 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 0.416 -12.647 36.217 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 1.724 -13.210 36.733 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 5.773 -12.486 36.538 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 6.647 -12.098 36.508 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 5.637 -12.701 37.461 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 12.683 -12.430 33.880 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 11.980 -11.816 33.670 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 12.238 -13.268 34.011 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 8.795 4.543 31.823 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 9.661 4.909 31.645 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 8.548 4.103 31.010 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -0.873 17.116 -13.194 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -1.374 17.088 -14.009 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -0.867 16.210 -12.884 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -0.712 14.668 -11.992 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -0.489 14.250 -11.160 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -1.314 14.055 -12.414 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -0.216 23.113 -9.646 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 0.324 22.896 -8.887 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -0.697 22.307 -9.836 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 4.381 22.032 -8.026 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 5.149 21.573 -7.685 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 4.360 21.806 -8.956 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -0.309 16.923 -8.692 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -0.165 16.021 -8.978 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -1.082 17.209 -9.180 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 0.909 20.111 -9.530 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.088 20.286 -9.990 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 0.657 20.038 -8.609 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 1.265 24.342 -13.224 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 0.545 24.782 -13.675 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 0.899 24.091 -12.375 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 2.497 18.919 2.518 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 2.127 18.117 2.149 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 3.438 18.750 2.565 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -0.893 12.579 -2.089 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -1.341 13.425 -2.107 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -1.454 11.999 -2.604 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -0.183 14.741 0.037 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 0.031 13.971 0.564 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 0.555 14.830 -0.566 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -0.202 18.011 -3.673 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -0.474 18.240 -4.562 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -0.157 18.849 -3.213 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -0.873 17.116 5.662 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -1.374 17.088 4.847 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -0.867 16.210 5.972 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -1.122 19.896 2.546 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -0.176 19.752 2.527 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -1.235 20.680 3.083 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 2.122 22.697 -1.309 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 2.274 22.349 -0.430 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 1.271 22.341 -1.564 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 2.280 16.207 1.549 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 3.025 16.205 0.948 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 2.358 15.383 2.031 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 4.655 19.725 -1.046 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 5.182 20.498 -1.247 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 3.775 19.950 -1.348 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 4.766 22.410 -1.925 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 3.816 22.515 -1.873 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 5.117 23.230 -1.580 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 0.573 21.226 4.857 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 0.790 20.294 4.826 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 0.820 21.500 5.741 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 1.825 16.500 -4.967 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 1.139 16.852 -4.400 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 2.348 17.263 -5.213 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 5.448 21.988 -4.746 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 5.609 22.788 -5.247 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 5.251 22.295 -3.861 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 2.441 19.114 -6.070 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 3.033 19.813 -5.794 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 2.900 18.681 -6.789 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -0.282 18.809 -6.651 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 0.632 18.888 -6.378 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -0.275 18.122 -7.318 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -0.683 15.358 2.682 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -0.499 15.276 1.747 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 0.166 15.234 3.106 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -1.560 11.940 2.783 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -1.068 11.719 1.993 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -1.198 12.781 3.064 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 1.265 24.342 5.632 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 0.545 24.782 5.181 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 0.899 24.091 6.481 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 3.732 23.942 4.662 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 2.867 24.014 5.066 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 3.677 24.489 3.878 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 2.821 21.675 1.198 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 2.602 20.759 1.367 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 3.645 21.815 1.664 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 5.358 22.145 2.046 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 5.571 21.257 1.759 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 5.423 22.111 3.001 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 1.749 23.109 -7.261 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 1.481 23.396 -6.388 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 2.520 22.563 -7.109 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 1.573 14.469 22.839 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 1.615 13.843 23.563 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 2.276 15.092 23.021 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -0.893 12.579 16.767 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -1.341 13.425 16.749 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -1.454 11.999 16.252 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -0.183 14.741 18.893 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 0.031 13.971 19.420 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 0.555 14.830 18.290 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 3.890 9.782 19.252 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 3.933 10.642 18.834 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 3.432 9.230 18.619 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 0.510 12.179 20.014 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 1.164 11.629 20.446 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 0.534 11.905 19.098 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 2.700 8.700 23.326 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 2.481 9.230 22.560 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 2.032 8.927 23.974 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 2.294 10.592 21.279 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 2.907 11.225 21.652 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 2.806 10.120 20.622 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -0.202 18.011 15.183 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -0.474 18.240 14.294 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -0.157 18.849 15.643 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 6.726 6.006 20.779 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 6.609 5.057 20.725 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 5.871 6.338 21.052 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 2.211 15.049 25.693 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 2.281 15.700 26.391 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 1.320 15.152 25.358 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -0.873 17.116 24.518 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -1.374 17.088 23.703 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -0.867 16.210 24.828 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -1.122 19.896 21.402 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -0.176 19.752 21.383 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -1.235 20.680 21.939 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 3.995 6.909 21.557 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 3.134 6.822 21.149 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 3.973 7.765 21.984 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 8.658 6.631 24.931 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 9.078 6.216 25.684 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 7.725 6.453 25.048 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 4.086 11.875 22.652 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 3.444 11.834 23.361 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 4.123 12.801 22.414 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 1.836 12.195 24.519 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 1.798 12.595 25.387 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 1.345 11.378 24.609 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -1.556 9.311 18.369 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -0.925 9.282 19.089 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -1.106 8.886 17.639 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -0.281 10.057 13.793 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 0.193 10.648 13.208 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -0.999 10.588 14.140 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 1.493 11.152 17.477 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 0.604 11.252 17.137 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 1.789 10.310 17.131 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 2.280 16.207 20.405 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 3.025 16.205 19.804 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 2.358 15.383 20.887 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -0.712 14.668 25.720 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -0.489 14.250 26.552 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -1.314 14.055 25.298 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 0.410 14.587 12.397 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 1.026 15.214 12.776 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 -0.452 14.903 12.668 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 1.565 6.560 20.575 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 1.336 6.619 19.648 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 1.122 5.768 20.882 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 0.523 14.123 28.440 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 0.931 13.266 28.319 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 0.263 14.138 29.361 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 4.470 13.132 25.814 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 3.852 13.807 26.095 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 4.814 13.453 24.981 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 4.810 10.487 26.897 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 4.960 9.758 26.294 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 4.812 11.264 26.338 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 5.222 8.857 24.389 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 5.758 9.308 23.737 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 4.370 8.749 23.967 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 3.288 11.685 28.808 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 2.521 11.153 28.598 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 3.967 11.375 28.209 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 1.469 9.606 28.513 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 1.680 8.899 27.902 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 1.357 9.168 29.357 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 6.603 7.290 29.546 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 6.472 6.814 28.725 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 6.004 8.034 29.490 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 -0.683 15.358 21.538 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -0.499 15.276 20.603 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 0.166 15.234 21.962 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -1.247 8.198 15.694 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -2.172 8.407 15.564 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -0.793 8.682 15.004 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 1.193 6.443 17.869 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 0.416 6.209 17.361 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 1.724 5.646 17.877 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 5.202 9.569 30.173 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 4.771 9.124 30.903 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 4.484 9.941 29.661 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -1.556 9.311 37.225 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -0.925 9.282 37.945 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -1.106 8.886 36.495 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -0.281 10.057 32.649 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 0.193 10.648 32.064 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -0.999 10.588 32.996 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 4.182 8.686 32.582 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 4.099 9.575 32.928 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 5.072 8.421 32.813 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 0.757 11.778 30.758 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 0.712 12.717 30.937 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -0.131 11.542 30.488 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -1.247 8.198 34.550 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -2.172 8.407 34.420 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -0.793 8.682 33.860 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 1.193 6.443 36.725 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 0.416 6.209 36.217 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 1.724 5.646 36.733 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 0.030 6.241 32.528 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 0.469 6.852 31.937 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -0.604 6.779 33.002 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 1.891 8.157 30.971 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 2.382 7.527 30.443 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 2.514 8.453 31.634 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 1.573 33.325 -14.873 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 1.615 32.699 -14.149 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 2.276 33.948 -14.691 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 2.700 27.556 -14.386 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 2.481 28.086 -15.152 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 2.032 27.783 -13.738 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 3.677 37.196 -13.311 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 3.671 38.075 -13.689 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 2.823 37.113 -12.886 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 2.211 33.905 -12.019 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 2.281 34.556 -11.321 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 1.320 34.008 -12.354 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 3.530 39.779 -10.484 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 3.538 39.643 -11.432 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 2.614 39.661 -10.232 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 -0.873 35.972 -13.194 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -1.374 35.944 -14.009 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -0.867 35.066 -12.884 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -1.122 38.752 -16.310 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -0.176 38.608 -16.329 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -1.235 39.536 -15.773 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 1.376 37.295 -12.151 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 1.593 36.934 -11.291 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 0.521 36.921 -12.361 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 1.836 31.051 -13.193 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 1.798 31.451 -12.325 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 1.345 30.234 -13.103 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 1.955 35.760 -9.913 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 2.688 36.014 -9.352 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 1.175 35.964 -9.398 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -0.712 33.524 -11.992 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 -0.489 33.106 -11.160 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 -1.314 32.911 -12.414 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 6.305 33.041 -9.779 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 6.009 32.875 -10.674 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 7.236 32.821 -9.789 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 0.922 28.277 -12.434 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 0.029 28.616 -12.501 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 0.823 27.422 -12.016 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 0.573 40.082 -13.999 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 0.790 39.150 -14.030 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 0.820 40.356 -13.115 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -0.216 41.969 -9.646 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 0.324 41.752 -8.887 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -0.697 41.163 -9.836 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 4.470 31.988 -11.898 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 3.852 32.663 -11.617 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 4.814 32.309 -12.731 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 4.810 29.343 -10.815 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 4.960 28.614 -11.418 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 4.812 30.120 -11.374 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 7.292 29.491 -9.328 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 7.056 29.271 -8.426 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 6.509 29.284 -9.837 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 6.603 26.146 -8.166 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 6.472 25.670 -8.987 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 6.004 26.890 -8.222 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 -0.683 34.214 -16.174 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 -0.499 34.132 -17.109 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 0.166 34.090 -15.750 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -1.560 30.796 -16.073 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -1.068 30.575 -16.863 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -1.198 31.637 -15.792 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 -1.283 25.792 -13.674 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 -1.948 25.546 -13.031 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 -1.726 26.414 -14.251 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 0.909 38.967 -9.530 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 0.088 39.142 -9.990 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 0.657 38.894 -8.609 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 1.151 25.813 -10.326 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 0.785 25.048 -9.883 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 2.064 25.842 -10.039 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 3.124 25.164 -8.790 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 4.023 24.890 -8.975 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 2.738 24.421 -8.326 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 1.573 33.325 3.983 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 1.615 32.699 4.707 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 2.276 33.948 4.165 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 2.497 37.775 2.518 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 2.127 36.973 2.149 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 3.438 37.606 2.565 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 3.890 28.638 0.396 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 3.933 29.498 -0.022 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 3.432 28.086 -0.237 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 5.666 32.585 0.374 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 6.282 32.059 0.883 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 5.080 31.945 -0.030 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 2.700 27.556 4.470 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 2.481 28.086 3.704 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 2.032 27.783 5.118 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 5.269 35.232 4.758 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 4.529 35.830 4.861 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 5.983 35.786 4.442 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 4.044 34.539 -0.742 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 3.714 34.169 -1.561 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 4.632 33.869 -0.396 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 4.411 33.308 2.891 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 4.976 33.429 2.128 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 4.730 33.945 3.530 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 2.211 33.905 6.837 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 2.281 34.556 7.535 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 1.320 34.008 6.502 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 3.034 33.609 -3.153 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 2.742 34.377 -3.644 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 2.360 32.949 -3.316 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -0.873 35.972 5.662 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -1.374 35.944 4.847 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -0.867 35.066 5.972 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -1.122 38.752 2.546 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -0.176 38.608 2.527 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -1.235 39.536 3.083 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 2.122 41.553 -1.309 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 2.274 41.205 -0.430 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 1.271 41.197 -1.564 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 3.995 25.765 2.701 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 3.134 25.678 2.293 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 3.973 26.621 3.128 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 4.086 30.731 3.796 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 3.444 30.690 4.505 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 4.123 31.657 3.558 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 1.836 31.051 5.663 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 1.798 31.451 6.531 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 1.345 30.234 5.753 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 5.202 28.425 -7.539 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 4.771 27.980 -6.809 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 4.484 28.797 -8.051 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 6.665 28.379 -0.206 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 5.754 28.436 0.083 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 7.170 28.319 0.605 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 5.146 30.008 -3.723 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 6.078 30.137 -3.545 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 4.931 30.678 -4.372 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 7.985 31.167 1.681 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 8.549 30.620 1.134 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 7.837 30.645 2.470 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 2.987 27.303 -1.901 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 2.670 26.401 -1.936 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 3.768 27.305 -2.453 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 6.611 29.555 4.095 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 5.776 30.009 4.205 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 7.135 29.831 4.847 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 2.280 35.063 1.549 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 3.025 35.061 0.948 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 2.358 34.239 2.031 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -0.712 33.524 6.864 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -0.489 33.106 7.696 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -1.314 32.911 6.442 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 6.082 36.244 -1.470 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 5.841 37.169 -1.428 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 5.342 35.785 -1.074 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 0.922 28.277 6.422 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 0.029 28.616 6.355 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 0.823 27.422 6.840 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 1.825 35.356 -4.967 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 1.139 35.708 -4.400 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 2.348 36.119 -5.213 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 7.641 29.398 -2.756 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 8.453 29.902 -2.710 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 7.396 29.253 -1.842 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 4.182 27.542 -5.130 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 4.099 28.431 -4.784 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 5.072 27.277 -4.899 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 2.441 37.970 -6.070 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 3.033 38.669 -5.794 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 2.900 37.537 -6.789 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 1.565 25.416 1.719 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 1.336 25.475 0.792 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 1.122 24.624 2.026 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 0.495 39.356 -2.120 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 -0.337 39.829 -2.093 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 1.041 39.866 -2.719 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 4.032 36.123 -7.704 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 4.096 35.329 -7.173 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 4.685 36.004 -8.393 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 5.181 34.095 -5.398 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 4.722 33.611 -4.712 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 5.436 33.427 -6.034 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 6.252 32.338 -7.135 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 6.072 32.184 -8.063 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 7.203 32.446 -7.091 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1511 -1.633 43.058 -1.574 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1511 -2.280 42.596 -2.107 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1511 -1.278 42.386 -0.991 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1512 -0.763 41.139 0.231 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1512 -1.097 40.258 0.403 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1512 -0.541 41.484 1.095 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1513 -1.085 29.485 8.823 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1513 -0.166 29.363 9.059 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1513 -1.535 28.735 9.212 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1514 -1.283 25.792 5.182 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1514 -1.948 25.546 5.825 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1514 -1.726 26.414 4.605 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1515 5.773 25.226 -1.174 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1515 6.647 25.614 -1.204 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1515 5.637 25.011 -0.251 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1516 -0.069 41.045 -4.286 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1516 -0.754 41.007 -4.954 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1516 -0.066 41.958 -3.998 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1517 6.917 27.306 -4.284 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1517 7.095 26.660 -3.601 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1517 6.863 28.140 -3.817 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1518 1.749 41.965 -7.261 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1518 1.481 42.252 -6.388 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1518 2.520 41.419 -7.109 0.00 0.00 WAT1 END