REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" 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-2009 12:08:58 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.275 -21.795 11.222 1.00 14.33 ATOM 2 CB MET 1 8.866 -23.624 10.266 1.00 71.42 ATOM 3 HB1 MET 1 8.378 -23.576 9.300 1.00 37.96 ATOM 4 HB2 MET 1 8.914 -24.659 10.575 1.00 70.35 ATOM 5 CG MET 1 10.277 -23.089 10.082 1.00 73.31 ATOM 6 HG1 MET 1 10.618 -22.638 11.006 1.00 37.96 ATOM 7 HG2 MET 1 10.261 -22.339 9.306 1.00 44.25 ATOM 8 SD MET 1 11.450 -24.374 9.608 1.00 4.45 ATOM 9 CE MET 1 11.804 -25.113 11.201 1.00 4.42 ATOM 10 HE1 MET 1 12.621 -24.584 11.670 1.00 34.35 ATOM 11 HE2 MET 1 12.074 -26.149 11.068 1.00 41.25 ATOM 12 HE3 MET 1 10.930 -25.054 11.833 1.00 51.14 ATOM 13 C MET 1 6.558 -23.037 11.033 1.00 61.22 ATOM 14 O MET 1 6.150 -23.305 9.904 1.00 53.04 ATOM 15 N MET 1 8.393 -23.287 12.649 1.00 55.21 ATOM 16 HT1 MET 1 7.981 -22.650 13.358 1.00 37.96 ATOM 17 HT2 MET 1 9.429 -23.285 12.779 1.00 37.96 ATOM 18 HT3 MET 1 8.042 -24.251 12.816 1.00 37.96 ATOM 19 CA MET 1 8.048 -22.850 11.301 1.00 50.31 ATOM 20 N GLY 2 5.750 -22.895 12.079 1.00 22.03 ATOM 21 HN GLY 2 6.102 -22.656 12.958 1.00 37.96 ATOM 22 CA GLY 2 4.315 -23.053 11.935 1.00 12.12 ATOM 23 HA1 GLY 2 3.922 -23.448 12.860 1.00 37.96 ATOM 24 HA2 GLY 2 4.093 -23.757 11.141 1.00 52.53 ATOM 25 C GLY 2 3.614 -21.742 11.640 1.00 41.41 ATOM 26 O GLY 2 2.403 -21.620 11.828 1.00 3.05 ATOM 27 N HIS 3 4.377 -20.756 11.177 1.00 74.13 ATOM 28 HN HIS 3 5.329 -20.893 11.023 1.00 37.96 ATOM 29 CA HIS 3 3.821 -19.446 10.856 1.00 63.02 ATOM 30 HA HIS 3 2.969 -19.259 11.500 1.00 1.32 ATOM 31 CB HIS 3 4.862 -18.353 11.101 1.00 64.41 ATOM 32 HB1 HIS 3 4.460 -17.392 10.815 1.00 37.96 ATOM 33 HB2 HIS 3 5.739 -18.560 10.507 1.00 21.43 ATOM 34 CG HIS 3 5.296 -18.249 12.531 1.00 61.33 ATOM 35 ND1 HIS 3 6.549 -17.815 12.907 1.00 4.32 ATOM 36 HD1 HIS 3 7.265 -17.538 12.298 1.00 51.51 ATOM 37 CD2 HIS 3 4.635 -18.525 13.679 1.00 55.01 ATOM 38 HD2 HIS 3 3.637 -18.909 13.758 1.00 43.44 ATOM 39 CE1 HIS 3 6.641 -17.829 14.225 1.00 74.20 ATOM 40 HE1 HIS 3 7.507 -17.539 14.802 1.00 3.12 ATOM 41 NE2 HIS 3 5.492 -18.256 14.717 1.00 14.24 ATOM 42 HE2 HIS 3 5.358 -18.524 15.644 1.00 37.96 ATOM 43 C HIS 3 3.347 -19.397 9.407 1.00 71.34 ATOM 44 O HIS 3 3.437 -20.387 8.679 1.00 1.04 ATOM 45 N HIS 4 2.841 -18.240 8.993 1.00 14.32 ATOM 46 HN HIS 4 2.755 -17.488 9.622 1.00 37.96 ATOM 47 CA HIS 4 2.352 -18.062 7.631 1.00 74.25 ATOM 48 HA HIS 4 2.717 -18.880 7.022 1.00 70.42 ATOM 49 CB HIS 4 0.823 -18.063 7.611 1.00 52.04 ATOM 50 HB1 HIS 4 0.444 -17.115 7.970 1.00 37.96 ATOM 51 HB2 HIS 4 0.467 -18.849 8.263 1.00 61.14 ATOM 52 CG HIS 4 0.242 -18.314 6.253 1.00 14.13 ATOM 53 ND1 HIS 4 -1.058 -17.996 5.921 1.00 74.22 ATOM 54 HD1 HIS 4 -1.718 -17.587 6.519 1.00 13.53 ATOM 55 CD2 HIS 4 0.792 -18.854 5.141 1.00 53.24 ATOM 56 HD2 HIS 4 1.805 -19.218 5.038 1.00 23.13 ATOM 57 CE1 HIS 4 -1.283 -18.331 4.663 1.00 73.51 ATOM 58 HE1 HIS 4 -2.213 -18.198 4.130 1.00 12.32 ATOM 59 NE2 HIS 4 -0.176 -18.854 4.167 1.00 52.34 ATOM 60 HE2 HIS 4 -0.152 -19.420 3.376 1.00 37.96 ATOM 61 C HIS 4 2.879 -16.763 7.029 1.00 63.31 ATOM 62 O HIS 4 2.111 -15.848 6.732 1.00 43.50 ATOM 63 N HIS 5 4.195 -16.690 6.852 1.00 32.02 ATOM 64 HN HIS 5 4.766 -17.451 7.104 1.00 37.96 ATOM 65 CA HIS 5 4.825 -15.503 6.286 1.00 2.30 ATOM 66 HA HIS 5 4.061 -14.770 6.055 1.00 2.30 ATOM 67 CB HIS 5 5.815 -14.901 7.283 1.00 4.43 ATOM 68 HB1 HIS 5 6.546 -14.298 6.757 1.00 37.96 ATOM 69 HB2 HIS 5 6.328 -15.696 7.804 1.00 71.55 ATOM 70 CG HIS 5 5.171 -14.022 8.311 1.00 40.12 ATOM 71 ND1 HIS 5 5.717 -13.796 9.557 1.00 74.30 ATOM 72 HD1 HIS 5 6.557 -14.175 9.891 1.00 44.24 ATOM 73 CD2 HIS 5 4.021 -13.310 8.271 1.00 54.21 ATOM 74 HD2 HIS 5 3.332 -13.249 7.441 1.00 1.11 ATOM 75 CE1 HIS 5 4.929 -12.985 10.240 1.00 52.13 ATOM 76 HE1 HIS 5 5.103 -12.634 11.246 1.00 31.00 ATOM 77 NE2 HIS 5 3.893 -12.675 9.482 1.00 53.54 ATOM 78 HE2 HIS 5 3.204 -12.016 9.709 1.00 37.96 ATOM 79 C HIS 5 5.540 -15.837 4.980 1.00 30.53 ATOM 80 O HIS 5 5.982 -16.968 4.775 1.00 72.42 ATOM 81 N HIS 6 5.649 -14.847 4.100 1.00 24.24 ATOM 82 HN HIS 6 5.278 -13.960 4.311 1.00 37.96 ATOM 83 CA HIS 6 6.311 -15.037 2.814 1.00 15.11 ATOM 84 HA HIS 6 6.128 -14.156 2.214 1.00 32.21 ATOM 85 CB HIS 6 7.816 -15.214 3.012 1.00 43.30 ATOM 86 HB1 HIS 6 8.260 -15.627 2.114 1.00 37.96 ATOM 87 HB2 HIS 6 7.999 -15.888 3.833 1.00 4.30 ATOM 88 CG HIS 6 8.537 -13.933 3.303 1.00 35.22 ATOM 89 ND1 HIS 6 9.139 -13.170 2.326 1.00 44.20 ATOM 90 HD1 HIS 6 9.160 -13.378 1.369 1.00 21.31 ATOM 91 CD2 HIS 6 8.747 -13.282 4.471 1.00 42.21 ATOM 92 HD2 HIS 6 8.411 -13.596 5.449 1.00 51.41 ATOM 93 CE1 HIS 6 9.691 -12.105 2.880 1.00 23.11 ATOM 94 HE1 HIS 6 10.232 -11.330 2.358 1.00 60.11 ATOM 95 NE2 HIS 6 9.467 -12.149 4.181 1.00 42.00 ATOM 96 HE2 HIS 6 9.686 -11.435 4.816 1.00 37.96 ATOM 97 C HIS 6 5.736 -16.246 2.081 1.00 4.33 ATOM 98 O HIS 6 6.472 -17.021 1.470 1.00 23.21 ATOM 99 N HIS 7 4.418 -16.401 2.147 1.00 12.45 ATOM 100 HN HIS 7 3.875 -15.743 2.643 1.00 37.96 ATOM 101 CA HIS 7 3.745 -17.515 1.490 1.00 20.43 ATOM 102 HA HIS 7 4.042 -18.416 1.999 1.00 74.43 ATOM 103 CB HIS 7 2.228 -17.363 1.606 1.00 41.12 ATOM 104 HB1 HIS 7 1.885 -16.583 0.938 1.00 37.96 ATOM 105 HB2 HIS 7 1.980 -17.089 2.621 1.00 73.21 ATOM 106 CG HIS 7 1.474 -18.616 1.282 1.00 13.43 ATOM 107 ND1 HIS 7 0.132 -18.625 0.963 1.00 23.21 ATOM 108 HD1 HIS 7 -0.451 -17.839 0.917 1.00 24.33 ATOM 109 CD2 HIS 7 1.881 -19.905 1.228 1.00 20.32 ATOM 110 HD2 HIS 7 2.877 -20.272 1.429 1.00 54.33 ATOM 111 CE1 HIS 7 -0.253 -19.867 0.728 1.00 13.24 ATOM 112 HE1 HIS 7 -1.250 -20.178 0.455 1.00 24.55 ATOM 113 NE2 HIS 7 0.789 -20.663 0.882 1.00 3.01 ATOM 114 HE2 HIS 7 0.803 -21.621 0.675 1.00 37.96 ATOM 115 C HIS 7 4.149 -17.604 0.022 1.00 72.14 ATOM 116 O HIS 7 4.108 -16.611 -0.705 1.00 43.21 ATOM 117 N HIS 8 4.539 -18.800 -0.409 1.00 1.23 ATOM 118 HN HIS 8 4.548 -19.565 0.211 1.00 37.96 ATOM 119 CA HIS 8 4.951 -19.018 -1.791 1.00 14.10 ATOM 120 HA HIS 8 5.037 -18.061 -2.296 1.00 35.04 ATOM 121 CB HIS 8 6.307 -19.722 -1.836 1.00 41.23 ATOM 122 HB1 HIS 8 6.419 -20.280 -2.755 1.00 37.96 ATOM 123 HB2 HIS 8 6.379 -20.409 -1.005 1.00 73.32 ATOM 124 CG HIS 8 7.472 -18.784 -1.745 1.00 33.52 ATOM 125 ND1 HIS 8 7.393 -17.543 -1.150 1.00 44.34 ATOM 126 HD1 HIS 8 6.605 -17.151 -0.738 1.00 23.31 ATOM 127 CD2 HIS 8 8.748 -18.914 -2.175 1.00 65.12 ATOM 128 HD2 HIS 8 9.167 -19.768 -2.688 1.00 70.14 ATOM 129 CE1 HIS 8 8.571 -16.948 -1.221 1.00 21.43 ATOM 130 HE1 HIS 8 8.807 -15.966 -0.838 1.00 12.34 ATOM 131 NE2 HIS 8 9.411 -17.760 -1.838 1.00 2.24 ATOM 132 HE2 HIS 8 10.325 -17.530 -2.106 1.00 37.96 ATOM 133 C HIS 8 3.911 -19.843 -2.544 1.00 12.53 ATOM 134 O HIS 8 2.885 -20.228 -1.983 1.00 3.14 ATOM 135 N SER 9 4.183 -20.109 -3.817 1.00 53.23 ATOM 136 HN SER 9 5.006 -19.761 -4.229 1.00 37.96 ATOM 137 CA SER 9 3.269 -20.884 -4.648 1.00 55.42 ATOM 138 HA SER 9 2.419 -21.193 -4.049 1.00 12.13 ATOM 139 CB SER 9 2.749 -20.029 -5.806 1.00 12.34 ATOM 140 HB1 SER 9 3.477 -20.001 -6.608 1.00 37.96 ATOM 141 HB2 SER 9 2.572 -19.021 -5.454 1.00 70.44 ATOM 142 OG SER 9 1.530 -20.544 -6.313 1.00 64.34 ATOM 143 HG SER 9 0.803 -20.274 -5.745 1.00 14.10 ATOM 144 C SER 9 3.955 -22.133 -5.192 1.00 42.21 ATOM 145 O SER 9 5.124 -22.095 -5.577 1.00 42.25 ATOM 146 N HIS 10 3.220 -23.240 -5.220 1.00 11.10 ATOM 147 HN HIS 10 2.282 -23.203 -4.916 1.00 37.96 ATOM 148 CA HIS 10 3.757 -24.502 -5.717 1.00 13.20 ATOM 149 HA HIS 10 4.692 -24.699 -5.204 1.00 14.14 ATOM 150 CB HIS 10 2.780 -25.643 -5.432 1.00 61.20 ATOM 151 HB1 HIS 10 3.031 -26.515 -6.018 1.00 37.96 ATOM 152 HB2 HIS 10 1.783 -25.324 -5.695 1.00 33.24 ATOM 153 CG HIS 10 2.753 -26.064 -3.995 1.00 2.42 ATOM 154 ND1 HIS 10 2.356 -25.227 -2.973 1.00 72.02 ATOM 155 HD1 HIS 10 2.058 -24.301 -3.074 1.00 43.21 ATOM 156 CD2 HIS 10 3.076 -27.241 -3.411 1.00 33.33 ATOM 157 HD2 HIS 10 3.430 -28.130 -3.914 1.00 24.14 ATOM 158 CE1 HIS 10 2.437 -25.871 -1.823 1.00 33.32 ATOM 159 HE1 HIS 10 2.189 -25.466 -0.853 1.00 12.33 ATOM 160 NE2 HIS 10 2.871 -27.096 -2.061 1.00 14.13 ATOM 161 HE2 HIS 10 3.112 -27.753 -1.375 1.00 37.96 ATOM 162 C HIS 10 4.039 -24.420 -7.214 1.00 41.11 ATOM 163 O HIS 10 3.878 -23.366 -7.829 1.00 23.11 ATOM 164 N MET 11 4.462 -25.539 -7.794 1.00 15.23 ATOM 165 HN MET 11 4.628 -26.342 -7.249 1.00 37.96 ATOM 166 CA MET 11 4.766 -25.593 -9.219 1.00 11.11 ATOM 167 HA MET 11 4.144 -24.861 -9.722 1.00 52.31 ATOM 168 CB MET 11 6.240 -25.262 -9.460 1.00 60.53 ATOM 169 HB1 MET 11 6.588 -25.783 -10.340 1.00 37.96 ATOM 170 HB2 MET 11 6.818 -25.606 -8.612 1.00 41.12 ATOM 171 CG MET 11 6.509 -23.777 -9.634 1.00 41.45 ATOM 172 HG1 MET 11 6.395 -23.290 -8.677 1.00 37.96 ATOM 173 HG2 MET 11 5.792 -23.367 -10.332 1.00 2.34 ATOM 174 SD MET 11 8.167 -23.439 -10.259 1.00 74.41 ATOM 175 CE MET 11 8.052 -24.125 -11.910 1.00 3.11 ATOM 176 HE1 MET 11 8.894 -23.789 -12.498 1.00 50.13 ATOM 177 HE2 MET 11 7.134 -23.796 -12.374 1.00 30.43 ATOM 178 HE3 MET 11 8.061 -25.203 -11.854 1.00 61.20 ATOM 179 C MET 11 4.441 -26.968 -9.792 1.00 75.44 ATOM 180 O MET 11 4.323 -27.957 -9.069 1.00 23.44 ATOM 181 N PRO 12 4.290 -27.035 -11.124 1.00 24.13 ATOM 182 CA PRO 12 3.977 -28.285 -11.823 1.00 53.52 ATOM 183 HA PRO 12 3.100 -28.762 -11.409 1.00 3.45 ATOM 184 CB PRO 12 3.683 -27.826 -13.254 1.00 4.01 ATOM 185 HB1 PRO 12 2.622 -27.660 -13.360 1.00 37.96 ATOM 186 HB2 PRO 12 4.000 -28.562 -13.974 1.00 15.33 ATOM 187 CG PRO 12 4.434 -26.548 -13.403 1.00 41.14 ATOM 188 HG1 PRO 12 3.944 -25.916 -14.129 1.00 37.96 ATOM 189 HG2 PRO 12 5.450 -26.752 -13.707 1.00 43.31 ATOM 190 CD PRO 12 4.416 -25.896 -12.048 1.00 60.14 ATOM 191 HD1 PRO 12 3.567 -25.233 -11.962 1.00 37.96 ATOM 192 HD2 PRO 12 5.329 -25.355 -11.899 1.00 12.12 ATOM 193 C PRO 12 5.143 -29.267 -11.807 1.00 41.42 ATOM 194 O PRO 12 5.882 -29.383 -12.785 1.00 22.31 ATOM 195 N ASP 13 5.302 -29.971 -10.692 1.00 3.40 ATOM 196 HN ASP 13 4.677 -29.819 -9.945 1.00 37.96 ATOM 197 CA ASP 13 6.378 -30.944 -10.549 1.00 65.35 ATOM 198 HA ASP 13 7.304 -30.471 -10.855 1.00 4.15 ATOM 199 CB ASP 13 6.513 -31.378 -9.089 1.00 14.01 ATOM 200 HB1 ASP 13 6.851 -30.535 -8.504 1.00 37.96 ATOM 201 HB2 ASP 13 7.242 -32.166 -9.021 1.00 65.34 ATOM 202 CG ASP 13 5.201 -31.870 -8.508 1.00 64.03 ATOM 203 OD1 ASP 13 4.725 -32.940 -8.942 1.00 42.31 ATOM 204 OD2 ASP 13 4.651 -31.185 -7.621 1.00 12.12 ATOM 205 C ASP 13 6.130 -32.162 -11.434 1.00 20.21 ATOM 206 O ASP 13 4.988 -32.471 -11.776 1.00 62.34 ATOM 207 N HIS 14 7.207 -32.850 -11.801 1.00 54.15 ATOM 208 HN HIS 14 8.096 -32.559 -11.484 1.00 37.96 ATOM 209 CA HIS 14 7.105 -34.034 -12.647 1.00 24.21 ATOM 210 HA HIS 14 6.416 -33.814 -13.440 1.00 64.21 ATOM 211 CB HIS 14 8.471 -34.380 -13.243 1.00 15.44 ATOM 212 HB1 HIS 14 8.555 -35.452 -13.384 1.00 37.96 ATOM 213 HB2 HIS 14 9.253 -34.057 -12.572 1.00 30.44 ATOM 214 CG HIS 14 8.722 -33.741 -14.574 1.00 2.33 ATOM 215 ND1 HIS 14 8.661 -34.433 -15.764 1.00 64.45 ATOM 216 HD1 HIS 14 8.454 -35.386 -15.862 1.00 74.13 ATOM 217 CD2 HIS 14 9.035 -32.464 -14.898 1.00 60.42 ATOM 218 HD2 HIS 14 9.164 -31.641 -14.209 1.00 51.31 ATOM 219 CE1 HIS 14 8.928 -33.611 -16.764 1.00 32.34 ATOM 220 HE1 HIS 14 8.952 -33.876 -17.811 1.00 60.32 ATOM 221 NE2 HIS 14 9.158 -32.410 -16.265 1.00 34.02 ATOM 222 HE2 HIS 14 9.468 -31.635 -16.778 1.00 37.96 ATOM 223 C HIS 14 6.567 -35.222 -11.855 1.00 62.34 ATOM 224 O HIS 14 7.332 -36.054 -11.368 1.00 12.42 ATOM 225 N GLY 15 5.245 -35.295 -11.731 1.00 43.14 ATOM 226 HN GLY 15 4.688 -34.585 -12.119 1.00 37.96 ATOM 227 CA GLY 15 4.628 -36.384 -10.997 1.00 72.05 ATOM 228 HA1 GLY 15 4.369 -36.031 -10.010 1.00 37.96 ATOM 229 HA2 GLY 15 5.319 -37.213 -10.898 1.00 73.22 ATOM 230 C GLY 15 3.370 -36.897 -11.670 1.00 52.40 ATOM 231 O GLY 15 3.114 -38.101 -11.688 1.00 40.32 ATOM 232 N ASP 16 2.582 -35.981 -12.223 1.00 35.23 ATOM 233 HN ASP 16 2.800 -35.028 -12.147 1.00 37.96 ATOM 234 CA ASP 16 1.342 -36.347 -12.899 1.00 65.01 ATOM 235 HA ASP 16 1.305 -37.423 -13.024 1.00 42.02 ATOM 236 CB ASP 16 0.135 -35.916 -12.066 1.00 12.54 ATOM 237 HB1 ASP 16 0.207 -34.857 -11.862 1.00 37.96 ATOM 238 HB2 ASP 16 0.138 -36.459 -11.133 1.00 24.41 ATOM 239 CG ASP 16 -1.181 -36.184 -12.770 1.00 25.41 ATOM 240 OD1 ASP 16 -1.584 -37.364 -12.843 1.00 73.15 ATOM 241 OD2 ASP 16 -1.807 -35.215 -13.247 1.00 23.13 ATOM 242 C ASP 16 1.272 -35.713 -14.285 1.00 23.21 ATOM 243 O ASP 16 0.519 -34.765 -14.507 1.00 24.00 ATOM 244 N TRP 17 2.062 -36.242 -15.212 1.00 61.42 ATOM 245 HN TRP 17 2.641 -37.006 -14.983 1.00 37.96 ATOM 246 CA TRP 17 2.090 -35.727 -16.577 1.00 22.35 ATOM 247 HA TRP 17 1.481 -34.832 -16.636 1.00 21.11 ATOM 248 CB TRP 17 3.523 -35.376 -16.982 1.00 32.25 ATOM 249 HB1 TRP 17 3.604 -35.363 -18.063 1.00 37.96 ATOM 250 HB2 TRP 17 4.198 -36.126 -16.592 1.00 20.12 ATOM 251 CG TRP 17 3.968 -34.033 -16.486 1.00 71.43 ATOM 252 CD1 TRP 17 5.016 -33.774 -15.650 1.00 65.55 ATOM 253 HD1 TRP 17 5.665 -34.533 -15.242 1.00 75.10 ATOM 254 CD2 TRP 17 3.376 -32.767 -16.795 1.00 12.13 ATOM 255 NE1 TRP 17 5.112 -32.423 -15.421 1.00 31.13 ATOM 256 HE1 TRP 17 5.784 -31.988 -14.855 1.00 3.51 ATOM 257 CE2 TRP 17 4.117 -31.783 -16.112 1.00 5.01 ATOM 258 CE3 TRP 17 2.293 -32.368 -17.583 1.00 12.14 ATOM 259 HE3 TRP 17 1.699 -33.091 -18.123 1.00 45.51 ATOM 260 CZ2 TRP 17 3.808 -30.428 -16.194 1.00 4.12 ATOM 261 HZ2 TRP 17 4.384 -29.681 -15.675 1.00 74.13 ATOM 262 CZ3 TRP 17 1.987 -31.023 -17.663 1.00 2.34 ATOM 263 HZ3 TRP 17 1.153 -30.697 -18.267 1.00 43.53 ATOM 264 CH2 TRP 17 2.743 -30.066 -16.972 1.00 51.43 ATOM 265 HH2 TRP 17 2.467 -29.026 -17.063 1.00 31.24 ATOM 266 C TRP 17 1.507 -36.742 -17.554 1.00 32.04 ATOM 267 O TRP 17 0.399 -36.565 -18.062 1.00 1.52 ATOM 268 N THR 18 2.259 -37.807 -17.813 1.00 74.43 ATOM 269 HN THR 18 3.130 -37.916 -17.365 1.00 37.96 ATOM 270 CA THR 18 1.816 -38.850 -18.730 1.00 51.04 ATOM 271 HA THR 18 1.047 -38.449 -19.384 1.00 35.21 ATOM 272 CB THR 18 2.975 -39.351 -19.613 1.00 32.13 ATOM 273 HB THR 18 2.651 -40.229 -20.161 1.00 14.30 ATOM 274 OG1 THR 18 4.098 -39.699 -18.795 1.00 51.13 ATOM 275 HG1 THR 18 4.645 -40.342 -19.253 1.00 73.04 ATOM 276 CG2 THR 18 3.385 -38.289 -20.622 1.00 21.13 ATOM 277 HG21 THR 18 3.708 -37.399 -20.101 1.00 40.44 ATOM 278 HG22 THR 18 2.545 -38.050 -21.258 1.00 43.10 ATOM 279 HG23 THR 18 4.197 -38.664 -21.227 1.00 24.40 ATOM 280 C THR 18 1.221 -40.032 -17.973 1.00 51.34 ATOM 281 O THR 18 0.303 -40.693 -18.458 1.00 72.45 ATOM 282 N TYR 19 1.749 -40.291 -16.782 1.00 75.44 ATOM 283 HN TYR 19 2.461 -39.721 -16.427 1.00 37.96 ATOM 284 CA TYR 19 1.270 -41.395 -15.959 1.00 21.43 ATOM 285 HA TYR 19 0.534 -41.966 -16.513 1.00 41.12 ATOM 286 CB TYR 19 2.427 -42.329 -15.599 1.00 32.15 ATOM 287 HB1 TYR 19 2.796 -42.776 -16.513 1.00 37.96 ATOM 288 HB2 TYR 19 2.082 -43.123 -14.952 1.00 13.51 ATOM 289 CG TYR 19 3.585 -41.627 -14.925 1.00 74.25 ATOM 290 CD1 TYR 19 3.622 -41.474 -13.545 1.00 32.01 ATOM 291 HD1 TYR 19 2.810 -41.865 -12.948 1.00 51.33 ATOM 292 CD2 TYR 19 4.641 -41.116 -15.670 1.00 34.32 ATOM 293 HD2 TYR 19 4.630 -41.224 -16.746 1.00 15.25 ATOM 294 CE1 TYR 19 4.677 -40.833 -12.926 1.00 1.25 ATOM 295 HE1 TYR 19 4.686 -40.721 -11.858 1.00 44.40 ATOM 296 CE2 TYR 19 5.701 -40.475 -15.059 1.00 13.02 ATOM 297 HE2 TYR 19 6.513 -40.086 -15.655 1.00 33.03 ATOM 298 CZ TYR 19 5.714 -40.336 -13.687 1.00 3.53 ATOM 299 OH TYR 19 6.768 -39.696 -13.074 1.00 72.04 ATOM 300 HH TYR 19 6.713 -38.749 -13.234 1.00 22.21 ATOM 301 C TYR 19 0.605 -40.878 -14.687 1.00 54.21 ATOM 302 O TYR 19 0.421 -39.673 -14.517 1.00 34.23 ATOM 303 N GLU 20 0.247 -41.799 -13.797 1.00 52.54 ATOM 304 HN GLU 20 0.365 -42.754 -14.003 1.00 37.96 ATOM 305 CA GLU 20 -0.398 -41.436 -12.541 1.00 54.31 ATOM 306 HA GLU 20 0.087 -40.551 -12.148 1.00 44.23 ATOM 307 CB GLU 20 -1.879 -41.126 -12.773 1.00 62.31 ATOM 308 HB1 GLU 20 -1.951 -40.125 -13.173 1.00 37.96 ATOM 309 HB2 GLU 20 -2.424 -41.156 -11.840 1.00 33.44 ATOM 310 CG GLU 20 -2.548 -42.064 -13.764 1.00 15.40 ATOM 311 HG1 GLU 20 -2.264 -43.083 -13.536 1.00 37.96 ATOM 312 HG2 GLU 20 -2.213 -41.814 -14.759 1.00 63.34 ATOM 313 CD GLU 20 -4.061 -41.969 -13.726 1.00 14.31 ATOM 314 OE1 GLU 20 -4.725 -42.809 -14.368 1.00 55.31 ATOM 315 OE2 GLU 20 -4.581 -41.054 -13.053 1.00 0.30 ATOM 316 C GLU 20 -0.256 -42.555 -11.513 1.00 53.15 ATOM 317 O GLU 20 0.396 -43.566 -11.769 1.00 61.31 ATOM 318 N GLU 21 -0.872 -42.364 -10.351 1.00 23.24 ATOM 319 HN GLU 21 -1.350 -41.525 -10.173 1.00 37.96 ATOM 320 CA GLU 21 -0.812 -43.357 -9.284 1.00 55.20 ATOM 321 HA GLU 21 -1.402 -42.987 -8.462 1.00 4.34 ATOM 322 CB GLU 21 -1.371 -44.695 -9.771 1.00 61.43 ATOM 323 HB1 GLU 21 -0.773 -45.511 -9.387 1.00 37.96 ATOM 324 HB2 GLU 21 -1.356 -44.746 -10.845 1.00 43.05 ATOM 325 CG GLU 21 -2.804 -44.951 -9.337 1.00 74.22 ATOM 326 HG1 GLU 21 -2.808 -45.211 -8.288 1.00 37.96 ATOM 327 HG2 GLU 21 -3.198 -45.776 -9.912 1.00 30.42 ATOM 328 CD GLU 21 -3.701 -43.746 -9.544 1.00 45.44 ATOM 329 OE1 GLU 21 -4.037 -43.078 -8.544 1.00 22.23 ATOM 330 OE2 GLU 21 -4.066 -43.470 -10.706 1.00 43.32 ATOM 331 C GLU 21 0.620 -43.540 -8.790 1.00 72.13 ATOM 332 O GLU 21 1.552 -42.942 -9.326 1.00 4.01 ATOM 333 N GLN 22 0.785 -44.371 -7.766 1.00 15.42 ATOM 334 HN GLN 22 -0.004 -44.817 -7.374 1.00 37.96 ATOM 335 CA GLN 22 2.102 -44.632 -7.199 1.00 4.40 ATOM 336 HA GLN 22 2.432 -43.729 -6.704 1.00 51.51 ATOM 337 CB GLN 22 2.023 -45.760 -6.169 1.00 45.02 ATOM 338 HB1 GLN 22 1.668 -46.658 -6.656 1.00 37.96 ATOM 339 HB2 GLN 22 1.313 -45.473 -5.404 1.00 31.42 ATOM 340 CG GLN 22 3.355 -46.071 -5.504 1.00 73.03 ATOM 341 HG1 GLN 22 3.817 -45.155 -5.195 1.00 37.96 ATOM 342 HG2 GLN 22 3.995 -46.561 -6.224 1.00 63.03 ATOM 343 CD GLN 22 3.206 -46.969 -4.292 1.00 52.00 ATOM 344 OE1 GLN 22 2.845 -46.512 -3.207 1.00 41.10 ATOM 345 NE2 GLN 22 3.483 -48.255 -4.470 1.00 64.31 ATOM 346 HE21 GLN 22 3.776 -48.561 -5.358 1.00 64.11 ATOM 347 HE22 GLN 22 3.356 -48.859 -3.719 1.00 64.04 ATOM 348 C GLN 22 3.103 -44.993 -8.292 1.00 30.54 ATOM 349 O GLN 22 2.728 -45.505 -9.347 1.00 33.44 ATOM 350 N PHE 23 4.378 -44.724 -8.032 1.00 41.12 ATOM 351 HN PHE 23 4.619 -44.341 -7.160 1.00 37.96 ATOM 352 CA PHE 23 5.433 -45.020 -8.994 1.00 42.13 ATOM 353 HA PHE 23 5.027 -45.624 -9.797 1.00 2.30 ATOM 354 CB PHE 23 5.983 -43.724 -9.594 1.00 65.44 ATOM 355 HB1 PHE 23 5.376 -43.463 -10.451 1.00 37.96 ATOM 356 HB2 PHE 23 7.003 -43.871 -9.927 1.00 2.12 ATOM 357 CG PHE 23 5.972 -42.568 -8.636 1.00 44.22 ATOM 358 CD1 PHE 23 6.599 -42.666 -7.404 1.00 51.12 ATOM 359 HD1 PHE 23 7.109 -43.566 -7.127 1.00 54.10 ATOM 360 CD2 PHE 23 5.336 -41.383 -8.968 1.00 2.55 ATOM 361 HD2 PHE 23 4.841 -41.294 -9.919 1.00 62.02 ATOM 362 CE1 PHE 23 6.589 -41.603 -6.520 1.00 65.43 ATOM 363 HE1 PHE 23 7.067 -41.698 -5.570 1.00 72.14 ATOM 364 CE2 PHE 23 5.324 -40.316 -8.088 1.00 32.41 ATOM 365 HE2 PHE 23 4.825 -39.397 -8.359 1.00 74.03 ATOM 366 CZ PHE 23 5.952 -40.427 -6.863 1.00 42.21 ATOM 367 HZ PHE 23 5.943 -39.596 -6.174 1.00 62.51 ATOM 368 C PHE 23 6.562 -45.809 -8.338 1.00 20.31 ATOM 369 O PHE 23 6.686 -45.837 -7.113 1.00 52.13 ATOM 370 N LYS 24 7.384 -46.451 -9.162 1.00 34.24 ATOM 371 HN LYS 24 7.239 -46.384 -10.137 1.00 37.96 ATOM 372 CA LYS 24 8.503 -47.241 -8.664 1.00 24.31 ATOM 373 HA LYS 24 8.137 -47.868 -7.858 1.00 31.13 ATOM 374 CB LYS 24 9.063 -48.129 -9.778 1.00 34.43 ATOM 375 HB1 LYS 24 9.836 -47.591 -10.314 1.00 37.96 ATOM 376 HB2 LYS 24 8.270 -48.357 -10.480 1.00 71.22 ATOM 377 CG LYS 24 9.666 -49.429 -9.274 1.00 75.42 ATOM 378 HG1 LYS 24 10.071 -49.285 -8.285 1.00 37.96 ATOM 379 HG2 LYS 24 10.467 -49.707 -9.946 1.00 62.24 ATOM 380 CD LYS 24 8.633 -50.544 -9.233 1.00 43.30 ATOM 381 HD1 LYS 24 7.912 -50.414 -10.032 1.00 37.96 ATOM 382 HD2 LYS 24 8.123 -50.509 -8.283 1.00 24.53 ATOM 383 CE LYS 24 9.283 -51.911 -9.385 1.00 14.22 ATOM 384 HE1 LYS 24 8.622 -52.651 -8.958 1.00 37.96 ATOM 385 HE2 LYS 24 10.226 -51.930 -8.853 1.00 41.11 ATOM 386 NZ LYS 24 9.523 -52.255 -10.814 1.00 35.24 ATOM 387 HZ1 LYS 24 8.623 -52.273 -11.338 1.00 63.51 ATOM 388 HZ2 LYS 24 9.966 -53.193 -10.883 1.00 14.45 ATOM 389 HZ3 LYS 24 10.156 -51.554 -11.254 1.00 21.21 ATOM 390 C LYS 24 9.605 -46.339 -8.117 1.00 22.40 ATOM 391 O LYS 24 10.530 -46.808 -7.454 1.00 45.24 ATOM 392 N GLN 25 9.498 -45.045 -8.398 1.00 12.32 ATOM 393 HN GLN 25 8.783 -44.724 -8.982 1.00 37.96 ATOM 394 CA GLN 25 10.485 -44.078 -7.933 1.00 25.24 ATOM 395 HA GLN 25 11.408 -44.288 -8.453 1.00 54.43 ATOM 396 CB GLN 25 10.024 -42.654 -8.247 1.00 34.15 ATOM 397 HB1 GLN 25 9.362 -42.303 -7.465 1.00 37.96 ATOM 398 HB2 GLN 25 9.476 -42.659 -9.181 1.00 3.13 ATOM 399 CG GLN 25 11.166 -41.660 -8.383 1.00 72.31 ATOM 400 HG1 GLN 25 11.745 -41.666 -7.469 1.00 37.96 ATOM 401 HG2 GLN 25 10.746 -40.675 -8.532 1.00 41.25 ATOM 402 CD GLN 25 12.076 -41.975 -9.554 1.00 2.23 ATOM 403 OE1 GLN 25 11.737 -41.711 -10.708 1.00 12.45 ATOM 404 NE2 GLN 25 13.241 -42.542 -9.262 1.00 71.35 ATOM 405 HE21 GLN 25 13.461 -42.730 -8.322 1.00 14.24 ATOM 406 HE22 GLN 25 13.843 -42.753 -10.006 1.00 23.13 ATOM 407 C GLN 25 10.730 -44.228 -6.435 1.00 12.44 ATOM 408 O GLN 25 11.852 -44.051 -5.957 1.00 75.32 ATOM 409 N LEU 26 9.674 -44.553 -5.698 1.00 14.03 ATOM 410 HN LEU 26 8.794 -44.658 -6.128 1.00 37.96 ATOM 411 CA LEU 26 9.773 -44.726 -4.253 1.00 31.05 ATOM 412 HA LEU 26 10.299 -43.876 -3.859 1.00 50.40 ATOM 413 CB LEU 26 8.377 -44.814 -3.633 1.00 24.35 ATOM 414 HB1 LEU 26 8.407 -45.517 -2.806 1.00 37.96 ATOM 415 HB2 LEU 26 7.695 -45.209 -4.375 1.00 24.12 ATOM 416 CG LEU 26 7.795 -43.504 -3.102 1.00 34.02 ATOM 417 HG LEU 26 7.691 -42.810 -3.917 1.00 43.44 ATOM 418 CD1 LEU 26 6.416 -43.737 -2.503 1.00 2.31 ATOM 419 HD11 LEU 26 6.507 -44.286 -1.575 1.00 52.50 ATOM 420 HD12 LEU 26 5.813 -44.309 -3.190 1.00 22.22 ATOM 421 HD13 LEU 26 5.941 -42.786 -2.311 1.00 3.34 ATOM 422 CD2 LEU 26 8.728 -42.884 -2.072 1.00 54.31 ATOM 423 HD21 LEU 26 8.243 -42.037 -1.603 1.00 24.02 ATOM 424 HD22 LEU 26 9.628 -42.542 -2.554 1.00 32.13 ATOM 425 HD23 LEU 26 8.979 -43.614 -1.314 1.00 54.22 ATOM 426 C LEU 26 10.575 -45.977 -3.908 1.00 1.32 ATOM 427 O LEU 26 11.351 -45.985 -2.952 1.00 43.10 ATOM 428 N TYR 27 10.384 -47.031 -4.693 1.00 51.21 ATOM 429 HN TYR 27 9.771 -46.962 -5.456 1.00 37.96 ATOM 430 CA TYR 27 11.089 -48.287 -4.471 1.00 24.40 ATOM 431 HA TYR 27 11.102 -48.490 -3.406 1.00 73.05 ATOM 432 CB TYR 27 10.368 -49.434 -5.182 1.00 45.21 ATOM 433 HB1 TYR 27 10.994 -50.321 -5.165 1.00 37.96 ATOM 434 HB2 TYR 27 10.195 -49.149 -6.206 1.00 50.13 ATOM 435 CG TYR 27 9.032 -49.783 -4.567 1.00 23.32 ATOM 436 CD1 TYR 27 8.851 -50.982 -3.888 1.00 14.13 ATOM 437 HD1 TYR 27 9.680 -51.671 -3.801 1.00 34.41 ATOM 438 CD2 TYR 27 7.952 -48.916 -4.665 1.00 54.21 ATOM 439 HD2 TYR 27 8.062 -47.985 -5.192 1.00 55.13 ATOM 440 CE1 TYR 27 7.631 -51.306 -3.324 1.00 44.03 ATOM 441 HE1 TYR 27 7.510 -52.243 -2.800 1.00 64.41 ATOM 442 CE2 TYR 27 6.729 -49.231 -4.104 1.00 4.14 ATOM 443 HE2 TYR 27 5.910 -48.542 -4.189 1.00 62.13 ATOM 444 CZ TYR 27 6.574 -50.427 -3.435 1.00 22.04 ATOM 445 OH TYR 27 5.358 -50.745 -2.875 1.00 71.21 ATOM 446 HH TYR 27 4.730 -50.977 -3.566 1.00 73.22 ATOM 447 C TYR 27 12.531 -48.197 -4.961 1.00 3.30 ATOM 448 O TYR 27 13.417 -48.877 -4.445 1.00 2.35 ATOM 449 N GLU 28 12.757 -47.351 -5.961 1.00 45.51 ATOM 450 HN GLU 28 12.016 -46.829 -6.343 1.00 37.96 ATOM 451 CA GLU 28 14.092 -47.170 -6.521 1.00 75.45 ATOM 452 HA GLU 28 14.673 -48.069 -6.347 1.00 25.40 ATOM 453 CB GLU 28 14.007 -46.937 -8.031 1.00 64.24 ATOM 454 HB1 GLU 28 15.007 -46.762 -8.412 1.00 37.96 ATOM 455 HB2 GLU 28 13.403 -46.060 -8.216 1.00 53.00 ATOM 456 CG GLU 28 13.396 -48.101 -8.794 1.00 2.22 ATOM 457 HG1 GLU 28 12.321 -48.048 -8.702 1.00 37.96 ATOM 458 HG2 GLU 28 13.747 -49.032 -8.368 1.00 32.25 ATOM 459 CD GLU 28 13.759 -48.089 -10.266 1.00 4.20 ATOM 460 OE1 GLU 28 12.839 -47.970 -11.102 1.00 45.43 ATOM 461 OE2 GLU 28 14.962 -48.199 -10.582 1.00 4.22 ATOM 462 C GLU 28 14.808 -46.000 -5.854 1.00 65.13 ATOM 463 O GLU 28 15.601 -45.301 -6.487 1.00 3.15 ATOM 464 N LEU 29 14.524 -45.792 -4.573 1.00 72.54 ATOM 465 HN LEU 29 13.923 -46.394 -4.096 1.00 37.96 ATOM 466 CA LEU 29 15.140 -44.707 -3.819 1.00 3.31 ATOM 467 HA LEU 29 15.221 -43.844 -4.467 1.00 10.21 ATOM 468 CB LEU 29 14.278 -44.347 -2.608 1.00 22.45 ATOM 469 HB1 LEU 29 14.885 -43.780 -1.907 1.00 37.96 ATOM 470 HB2 LEU 29 13.991 -45.266 -2.129 1.00 11.04 ATOM 471 CG LEU 29 13.018 -43.532 -2.899 1.00 32.03 ATOM 472 HG LEU 29 12.418 -44.061 -3.606 1.00 64.21 ATOM 473 CD1 LEU 29 12.207 -43.331 -1.628 1.00 74.12 ATOM 474 HD11 LEU 29 12.043 -42.287 -1.440 1.00 14.02 ATOM 475 HD12 LEU 29 12.707 -43.770 -0.774 1.00 72.25 ATOM 476 HD13 LEU 29 11.256 -43.806 -1.760 1.00 54.40 ATOM 477 CD2 LEU 29 13.382 -42.191 -3.519 1.00 12.11 ATOM 478 HD21 LEU 29 13.570 -42.336 -4.572 1.00 51.50 ATOM 479 HD22 LEU 29 14.272 -41.791 -3.061 1.00 13.33 ATOM 480 HD23 LEU 29 12.569 -41.486 -3.403 1.00 4.23 ATOM 481 C LEU 29 16.544 -45.089 -3.363 1.00 25.54 ATOM 482 O LEU 29 17.508 -44.365 -3.612 1.00 62.11 ATOM 483 N ASP 30 16.653 -46.233 -2.695 1.00 13.22 ATOM 484 HN ASP 30 15.846 -46.761 -2.506 1.00 37.96 ATOM 485 CA ASP 30 17.940 -46.714 -2.206 1.00 73.13 ATOM 486 HA ASP 30 18.717 -46.008 -2.481 1.00 34.35 ATOM 487 CB ASP 30 17.912 -46.851 -0.683 1.00 62.43 ATOM 488 HB1 ASP 30 18.645 -47.584 -0.365 1.00 37.96 ATOM 489 HB2 ASP 30 16.931 -47.179 -0.369 1.00 52.14 ATOM 490 CG ASP 30 18.224 -45.546 0.021 1.00 4.15 ATOM 491 OD1 ASP 30 18.966 -45.576 1.026 1.00 33.13 ATOM 492 OD2 ASP 30 17.728 -44.494 -0.432 1.00 41.13 ATOM 493 C ASP 30 18.297 -48.053 -2.844 1.00 34.21 ATOM 494 O ASP 30 19.455 -48.309 -3.168 1.00 45.42 ATOM 495 N GLY 31 17.292 -48.906 -3.020 1.00 34.04 ATOM 496 HN GLY 31 16.386 -48.680 -2.724 1.00 37.96 ATOM 497 CA GLY 31 17.520 -50.209 -3.616 1.00 61.03 ATOM 498 HA1 GLY 31 18.341 -50.160 -4.321 1.00 37.96 ATOM 499 HA2 GLY 31 16.628 -50.499 -4.151 1.00 20.43 ATOM 500 C GLY 31 17.825 -51.275 -2.582 1.00 52.24 ATOM 501 O GLY 31 18.556 -52.226 -2.858 1.00 72.25 ATOM 502 N ASP 32 17.265 -51.115 -1.388 1.00 61.42 ATOM 503 HN ASP 32 16.661 -50.353 -1.226 1.00 37.96 ATOM 504 CA ASP 32 17.481 -52.072 -0.309 1.00 3.44 ATOM 505 HA ASP 32 18.460 -52.516 -0.451 1.00 2.13 ATOM 506 CB ASP 32 17.447 -51.361 1.045 1.00 34.13 ATOM 507 HB1 ASP 32 17.250 -52.071 1.836 1.00 37.96 ATOM 508 HB2 ASP 32 16.657 -50.624 1.037 1.00 34.34 ATOM 509 CG ASP 32 18.750 -50.655 1.362 1.00 1.30 ATOM 510 OD1 ASP 32 18.699 -49.499 1.831 1.00 42.53 ATOM 511 OD2 ASP 32 19.821 -51.258 1.140 1.00 3.34 ATOM 512 C ASP 32 16.431 -53.178 -0.344 1.00 1.52 ATOM 513 O ASP 32 15.339 -53.013 -0.887 1.00 14.30 ATOM 514 N PRO 33 16.768 -54.333 0.248 1.00 21.11 ATOM 515 CA PRO 33 15.868 -55.489 0.297 1.00 20.14 ATOM 516 HA PRO 33 15.516 -55.761 -0.688 1.00 53.33 ATOM 517 CB PRO 33 16.756 -56.606 0.851 1.00 72.40 ATOM 518 HB1 PRO 33 17.186 -57.159 0.030 1.00 37.96 ATOM 519 HB2 PRO 33 16.184 -57.280 1.477 1.00 45.03 ATOM 520 CG PRO 33 17.812 -55.901 1.630 1.00 53.43 ATOM 521 HG1 PRO 33 18.715 -56.493 1.645 1.00 37.96 ATOM 522 HG2 PRO 33 17.465 -55.718 2.636 1.00 35.35 ATOM 523 CD PRO 33 18.053 -54.600 0.915 1.00 4.22 ATOM 524 HD1 PRO 33 18.847 -54.711 0.191 1.00 37.96 ATOM 525 HD2 PRO 33 18.299 -53.835 1.628 1.00 42.04 ATOM 526 C PRO 33 14.673 -55.255 1.215 1.00 52.52 ATOM 527 O PRO 33 13.634 -55.901 1.077 1.00 63.25 ATOM 528 N LYS 34 14.826 -54.325 2.152 1.00 74.11 ATOM 529 HN LYS 34 15.676 -53.836 2.228 1.00 37.96 ATOM 530 CA LYS 34 13.759 -54.003 3.092 1.00 54.11 ATOM 531 HA LYS 34 13.139 -54.877 3.223 1.00 45.54 ATOM 532 CB LYS 34 14.347 -53.628 4.454 1.00 52.31 ATOM 533 HB1 LYS 34 13.540 -53.387 5.132 1.00 37.96 ATOM 534 HB2 LYS 34 14.963 -52.745 4.326 1.00 41.32 ATOM 535 CG LYS 34 15.219 -54.714 5.060 1.00 52.41 ATOM 536 HG1 LYS 34 16.131 -54.249 5.408 1.00 37.96 ATOM 537 HG2 LYS 34 15.466 -55.457 4.310 1.00 62.30 ATOM 538 CD LYS 34 14.519 -55.411 6.215 1.00 44.23 ATOM 539 HD1 LYS 34 14.226 -56.398 5.888 1.00 37.96 ATOM 540 HD2 LYS 34 13.635 -54.863 6.515 1.00 62.51 ATOM 541 CE LYS 34 15.439 -55.557 7.417 1.00 4.11 ATOM 542 HE1 LYS 34 16.442 -55.229 7.176 1.00 37.96 ATOM 543 HE2 LYS 34 15.472 -56.601 7.693 1.00 62.45 ATOM 544 NZ LYS 34 14.949 -54.779 8.589 1.00 71.24 ATOM 545 HZ1 LYS 34 15.599 -54.901 9.392 1.00 61.50 ATOM 546 HZ2 LYS 34 14.003 -55.109 8.874 1.00 53.01 ATOM 547 HZ3 LYS 34 14.895 -53.766 8.354 1.00 5.51 ATOM 548 C LYS 34 12.897 -52.859 2.566 1.00 70.41 ATOM 549 O LYS 34 11.821 -52.585 3.098 1.00 70.25 ATOM 550 N ARG 35 13.376 -52.197 1.518 1.00 5.35 ATOM 551 HN ARG 35 14.247 -52.442 1.139 1.00 37.96 ATOM 552 CA ARG 35 12.650 -51.083 0.921 1.00 75.12 ATOM 553 HA ARG 35 12.627 -50.285 1.644 1.00 44.01 ATOM 554 CB ARG 35 13.367 -50.596 -0.339 1.00 51.43 ATOM 555 HB1 ARG 35 13.420 -51.403 -1.053 1.00 37.96 ATOM 556 HB2 ARG 35 14.378 -50.319 -0.071 1.00 63.12 ATOM 557 CG ARG 35 12.685 -49.414 -1.009 1.00 44.24 ATOM 558 HG1 ARG 35 11.633 -49.396 -0.784 1.00 37.96 ATOM 559 HG2 ARG 35 12.807 -49.525 -2.077 1.00 12.52 ATOM 560 CD ARG 35 13.324 -48.096 -0.599 1.00 22.20 ATOM 561 HD1 ARG 35 14.148 -47.893 -1.267 1.00 37.96 ATOM 562 HD2 ARG 35 13.699 -48.169 0.416 1.00 21.04 ATOM 563 NE ARG 35 12.380 -46.984 -0.671 1.00 21.32 ATOM 564 HE ARG 35 12.535 -46.305 -1.354 1.00 14.41 ATOM 565 CZ ARG 35 11.327 -46.861 0.130 1.00 64.20 ATOM 566 NH1 ARG 35 11.086 -47.776 1.058 1.00 30.45 ATOM 567 HH11 ARG 35 11.674 -48.554 1.191 1.00 52.10 ATOM 568 HH12 ARG 35 10.286 -47.676 1.642 1.00 42.40 ATOM 569 NH2 ARG 35 10.514 -45.821 0.003 1.00 11.41 ATOM 570 HH21 ARG 35 10.667 -45.158 -0.703 1.00 12.44 ATOM 571 HH22 ARG 35 9.787 -45.670 0.661 1.00 50.00 ATOM 572 C ARG 35 11.219 -51.489 0.580 1.00 55.52 ATOM 573 O ARG 35 10.264 -51.022 1.203 1.00 63.53 ATOM 574 N LYS 36 11.077 -52.359 -0.414 1.00 33.22 ATOM 575 HN LYS 36 11.865 -52.660 -0.897 1.00 37.96 ATOM 576 CA LYS 36 9.763 -52.829 -0.838 1.00 43.14 ATOM 577 HA LYS 36 9.209 -51.980 -1.206 1.00 31.53 ATOM 578 CB LYS 36 9.906 -53.856 -1.964 1.00 34.22 ATOM 579 HB1 LYS 36 10.608 -53.494 -2.693 1.00 37.96 ATOM 580 HB2 LYS 36 8.941 -53.956 -2.444 1.00 41.22 ATOM 581 CG LYS 36 10.321 -55.235 -1.480 1.00 14.11 ATOM 582 HG1 LYS 36 10.191 -55.931 -2.294 1.00 37.96 ATOM 583 HG2 LYS 36 9.700 -55.558 -0.663 1.00 64.43 ATOM 584 CD LYS 36 11.777 -55.258 -1.046 1.00 34.53 ATOM 585 HD1 LYS 36 12.012 -56.262 -0.727 1.00 37.96 ATOM 586 HD2 LYS 36 11.939 -54.589 -0.230 1.00 73.04 ATOM 587 CE LYS 36 12.707 -54.897 -2.194 1.00 35.32 ATOM 588 HE1 LYS 36 13.721 -55.113 -1.891 1.00 37.96 ATOM 589 HE2 LYS 36 12.622 -53.847 -2.415 1.00 42.04 ATOM 590 NZ LYS 36 12.401 -55.681 -3.423 1.00 30.03 ATOM 591 HZ1 LYS 36 13.197 -55.612 -4.089 1.00 14.03 ATOM 592 HZ2 LYS 36 11.551 -55.306 -3.890 1.00 13.25 ATOM 593 HZ3 LYS 36 12.245 -56.687 -3.194 1.00 23.31 ATOM 594 C LYS 36 9.001 -53.443 0.331 1.00 14.12 ATOM 595 O LYS 36 7.771 -53.404 0.371 1.00 64.04 ATOM 596 N GLU 37 9.739 -54.008 1.282 1.00 54.50 ATOM 597 HN GLU 37 10.712 -54.029 1.199 1.00 37.96 ATOM 598 CA GLU 37 9.130 -54.629 2.453 1.00 40.35 ATOM 599 HA GLU 37 8.413 -55.365 2.108 1.00 13.22 ATOM 600 CB GLU 37 10.198 -55.318 3.305 1.00 53.22 ATOM 601 HB1 GLU 37 9.970 -55.182 4.354 1.00 37.96 ATOM 602 HB2 GLU 37 11.143 -54.860 3.110 1.00 51.13 ATOM 603 CG GLU 37 10.342 -56.803 3.016 1.00 10.42 ATOM 604 HG1 GLU 37 11.394 -57.032 2.924 1.00 37.96 ATOM 605 HG2 GLU 37 9.845 -57.050 2.087 1.00 42.31 ATOM 606 CD GLU 37 9.763 -57.670 4.117 1.00 5.24 ATOM 607 OE1 GLU 37 9.905 -57.298 5.301 1.00 3.51 ATOM 608 OE2 GLU 37 9.170 -58.720 3.796 1.00 34.11 ATOM 609 C GLU 37 8.384 -53.595 3.291 1.00 54.12 ATOM 610 O GLU 37 7.237 -53.810 3.685 1.00 3.44 ATOM 611 N PHE 38 9.042 -52.473 3.560 1.00 45.53 ATOM 612 HN PHE 38 9.960 -52.356 3.216 1.00 37.96 ATOM 613 CA PHE 38 8.443 -51.405 4.352 1.00 21.34 ATOM 614 HA PHE 38 8.064 -51.835 5.271 1.00 24.41 ATOM 615 CB PHE 38 9.494 -50.350 4.703 1.00 52.44 ATOM 616 HB1 PHE 38 9.997 -50.042 3.795 1.00 37.96 ATOM 617 HB2 PHE 38 10.222 -50.795 5.369 1.00 23.13 ATOM 618 CG PHE 38 8.921 -49.131 5.368 1.00 54.14 ATOM 619 CD1 PHE 38 8.441 -48.074 4.611 1.00 15.11 ATOM 620 HD1 PHE 38 8.481 -48.131 3.538 1.00 1.24 ATOM 621 CD2 PHE 38 8.861 -49.043 6.749 1.00 2.40 ATOM 622 HD2 PHE 38 9.233 -49.859 7.353 1.00 31.50 ATOM 623 CE1 PHE 38 7.913 -46.951 5.221 1.00 64.23 ATOM 624 HE1 PHE 38 7.542 -46.134 4.620 1.00 30.30 ATOM 625 CE2 PHE 38 8.335 -47.922 7.364 1.00 33.42 ATOM 626 HE2 PHE 38 8.300 -47.860 8.440 1.00 50.00 ATOM 627 CZ PHE 38 7.859 -46.876 6.599 1.00 42.22 ATOM 628 HZ PHE 38 7.447 -46.000 7.077 1.00 21.53 ATOM 629 C PHE 38 7.284 -50.756 3.602 1.00 32.01 ATOM 630 O PHE 38 6.229 -50.486 4.179 1.00 65.01 ATOM 631 N LEU 39 7.487 -50.507 2.313 1.00 33.40 ATOM 632 HN LEU 39 8.356 -50.736 1.905 1.00 37.96 ATOM 633 CA LEU 39 6.459 -49.889 1.482 1.00 23.11 ATOM 634 HA LEU 39 6.150 -48.971 1.956 1.00 54.42 ATOM 635 CB LEU 39 7.016 -49.584 0.090 1.00 23.25 ATOM 636 HB1 LEU 39 6.209 -49.240 -0.533 1.00 37.96 ATOM 637 HB2 LEU 39 7.395 -50.507 -0.327 1.00 54.51 ATOM 638 CG LEU 39 8.136 -48.545 0.029 1.00 41.23 ATOM 639 HG LEU 39 9.005 -48.955 0.508 1.00 3.01 ATOM 640 CD1 LEU 39 8.494 -48.231 -1.416 1.00 22.23 ATOM 641 HD11 LEU 39 9.275 -47.495 -1.454 1.00 60.13 ATOM 642 HD12 LEU 39 7.625 -47.849 -1.930 1.00 23.41 ATOM 643 HD13 LEU 39 8.832 -49.131 -1.902 1.00 20.11 ATOM 644 CD2 LEU 39 7.729 -47.278 0.766 1.00 12.52 ATOM 645 HD21 LEU 39 6.654 -47.229 0.878 1.00 53.45 ATOM 646 HD22 LEU 39 8.044 -46.407 0.216 1.00 42.33 ATOM 647 HD23 LEU 39 8.185 -47.264 1.737 1.00 61.44 ATOM 648 C LEU 39 5.236 -50.793 1.366 1.00 41.00 ATOM 649 O LEU 39 4.110 -50.366 1.623 1.00 61.44 ATOM 650 N ASP 40 5.465 -52.043 0.980 1.00 64.12 ATOM 651 HN ASP 40 6.390 -52.324 0.788 1.00 37.96 ATOM 652 CA ASP 40 4.383 -53.009 0.833 1.00 54.21 ATOM 653 HA ASP 40 3.706 -52.632 0.076 1.00 20.24 ATOM 654 CB ASP 40 4.935 -54.362 0.383 1.00 61.20 ATOM 655 HB1 ASP 40 5.467 -54.832 1.200 1.00 37.96 ATOM 656 HB2 ASP 40 5.617 -54.205 -0.439 1.00 54.13 ATOM 657 CG ASP 40 3.846 -55.303 -0.092 1.00 34.42 ATOM 658 OD1 ASP 40 3.946 -56.516 0.189 1.00 13.11 ATOM 659 OD2 ASP 40 2.893 -54.828 -0.745 1.00 42.31 ATOM 660 C ASP 40 3.615 -53.168 2.142 1.00 64.33 ATOM 661 O ASP 40 2.388 -53.078 2.168 1.00 32.51 ATOM 662 N ASP 41 4.347 -53.406 3.225 1.00 72.21 ATOM 663 HN ASP 41 5.329 -53.468 3.140 1.00 37.96 ATOM 664 CA ASP 41 3.735 -53.578 4.538 1.00 64.44 ATOM 665 HA ASP 41 3.004 -54.374 4.470 1.00 62.14 ATOM 666 CB ASP 41 4.797 -53.950 5.574 1.00 64.24 ATOM 667 HB1 ASP 41 4.407 -53.782 6.571 1.00 37.96 ATOM 668 HB2 ASP 41 5.669 -53.333 5.433 1.00 4.42 ATOM 669 CG ASP 41 5.212 -55.405 5.481 1.00 60.50 ATOM 670 OD1 ASP 41 6.135 -55.807 6.220 1.00 61.13 ATOM 671 OD2 ASP 41 4.614 -56.143 4.669 1.00 0.31 ATOM 672 C ASP 41 3.008 -52.309 4.969 1.00 4.43 ATOM 673 O ASP 41 1.920 -52.368 5.543 1.00 23.14 ATOM 674 N LEU 42 3.617 -51.161 4.691 1.00 72.15 ATOM 675 HN LEU 42 4.495 -51.172 4.241 1.00 37.96 ATOM 676 CA LEU 42 3.028 -49.876 5.051 1.00 42.22 ATOM 677 HA LEU 42 2.872 -49.864 6.121 1.00 12.44 ATOM 678 CB LEU 42 3.978 -48.736 4.680 1.00 51.45 ATOM 679 HB1 LEU 42 4.225 -48.852 3.632 1.00 37.96 ATOM 680 HB2 LEU 42 4.887 -48.862 5.254 1.00 52.04 ATOM 681 CG LEU 42 3.448 -47.319 4.907 1.00 72.51 ATOM 682 HG LEU 42 2.390 -47.293 4.763 1.00 1.00 ATOM 683 CD1 LEU 42 3.721 -46.870 6.334 1.00 50.02 ATOM 684 HD11 LEU 42 3.219 -45.934 6.513 1.00 34.32 ATOM 685 HD12 LEU 42 4.785 -46.746 6.485 1.00 22.34 ATOM 686 HD13 LEU 42 3.345 -47.610 7.028 1.00 34.03 ATOM 687 CD2 LEU 42 4.071 -46.351 3.912 1.00 15.22 ATOM 688 HD21 LEU 42 3.866 -46.684 2.909 1.00 41.01 ATOM 689 HD22 LEU 42 5.141 -46.310 4.063 1.00 22.05 ATOM 690 HD23 LEU 42 3.650 -45.365 4.054 1.00 65.21 ATOM 691 C LEU 42 1.684 -49.679 4.358 1.00 72.13 ATOM 692 O LEU 42 0.659 -49.485 5.012 1.00 51.44 ATOM 693 N PHE 43 1.695 -49.733 3.030 1.00 70.31 ATOM 694 HN PHE 43 2.549 -49.912 2.569 1.00 37.96 ATOM 695 CA PHE 43 0.476 -49.562 2.248 1.00 63.35 ATOM 696 HA PHE 43 0.096 -48.577 2.419 1.00 72.21 ATOM 697 CB PHE 43 0.776 -49.725 0.756 1.00 75.41 ATOM 698 HB1 PHE 43 -0.111 -49.477 0.190 1.00 37.96 ATOM 699 HB2 PHE 43 1.043 -50.757 0.559 1.00 2.35 ATOM 700 CG PHE 43 1.892 -48.847 0.269 1.00 40.41 ATOM 701 CD1 PHE 43 2.065 -47.573 0.786 1.00 11.02 ATOM 702 HD1 PHE 43 1.408 -47.208 1.552 1.00 51.43 ATOM 703 CD2 PHE 43 2.768 -49.294 -0.707 1.00 23.13 ATOM 704 HD2 PHE 43 2.647 -50.286 -1.120 1.00 21.13 ATOM 705 CE1 PHE 43 3.092 -46.762 0.341 1.00 54.25 ATOM 706 HE1 PHE 43 3.215 -45.771 0.752 1.00 44.10 ATOM 707 CE2 PHE 43 3.797 -48.488 -1.156 1.00 10.32 ATOM 708 HE2 PHE 43 4.472 -48.841 -1.910 1.00 10.10 ATOM 709 CZ PHE 43 3.958 -47.220 -0.633 1.00 1.44 ATOM 710 HZ PHE 43 4.761 -46.589 -0.983 1.00 1.13 ATOM 711 C PHE 43 -0.591 -50.566 2.676 1.00 5.54 ATOM 712 O PHE 43 -1.732 -50.195 2.950 1.00 72.15 ATOM 713 N SER 44 -0.210 -51.838 2.732 1.00 4.34 ATOM 714 HN SER 44 0.721 -52.074 2.503 1.00 37.96 ATOM 715 CA SER 44 -1.134 -52.896 3.123 1.00 4.25 ATOM 716 HA SER 44 -1.977 -52.875 2.446 1.00 70.11 ATOM 717 CB SER 44 -0.452 -54.262 3.018 1.00 13.42 ATOM 718 HB1 SER 44 -1.046 -55.013 3.526 1.00 37.96 ATOM 719 HB2 SER 44 0.525 -54.211 3.474 1.00 41.25 ATOM 720 OG SER 44 -0.300 -54.653 1.665 1.00 40.43 ATOM 721 HG SER 44 -1.129 -55.011 1.336 1.00 42.42 ATOM 722 C SER 44 -1.641 -52.676 4.546 1.00 62.15 ATOM 723 O SER 44 -2.762 -53.056 4.883 1.00 54.34 ATOM 724 N PHE 45 -0.806 -52.060 5.376 1.00 21.31 ATOM 725 HN PHE 45 0.087 -51.794 5.063 1.00 37.96 ATOM 726 CA PHE 45 -1.168 -51.790 6.763 1.00 62.04 ATOM 727 HA PHE 45 -1.575 -52.697 7.193 1.00 4.40 ATOM 728 CB PHE 45 0.070 -51.382 7.565 1.00 73.33 ATOM 729 HB1 PHE 45 0.678 -50.717 6.974 1.00 37.96 ATOM 730 HB2 PHE 45 0.647 -52.271 7.785 1.00 31.51 ATOM 731 CG PHE 45 -0.255 -50.706 8.866 1.00 72.11 ATOM 732 CD1 PHE 45 -0.722 -51.439 9.945 1.00 13.11 ATOM 733 HD1 PHE 45 -0.852 -52.508 9.848 1.00 62.50 ATOM 734 CD2 PHE 45 -0.094 -49.337 9.010 1.00 71.43 ATOM 735 HD2 PHE 45 0.270 -48.751 8.177 1.00 12.31 ATOM 736 CE1 PHE 45 -1.022 -50.820 11.144 1.00 0.20 ATOM 737 HE1 PHE 45 -1.394 -51.402 11.972 1.00 62.01 ATOM 738 CE2 PHE 45 -0.392 -48.713 10.206 1.00 3.02 ATOM 739 HE2 PHE 45 -0.273 -47.653 10.295 1.00 14.54 ATOM 740 CZ PHE 45 -0.857 -49.455 11.274 1.00 13.22 ATOM 741 HZ PHE 45 -1.092 -48.968 12.208 1.00 32.21 ATOM 742 C PHE 45 -2.225 -50.693 6.845 1.00 52.02 ATOM 743 O PHE 45 -3.318 -50.907 7.369 1.00 24.43 ATOM 744 N MET 46 -1.891 -49.517 6.323 1.00 31.22 ATOM 745 HN MET 46 -0.985 -49.405 5.953 1.00 37.96 ATOM 746 CA MET 46 -2.812 -48.386 6.337 1.00 64.22 ATOM 747 HA MET 46 -3.085 -48.186 7.364 1.00 73.13 ATOM 748 CB MET 46 -2.134 -47.143 5.757 1.00 12.25 ATOM 749 HB1 MET 46 -1.334 -46.866 6.430 1.00 37.96 ATOM 750 HB2 MET 46 -2.833 -46.338 5.713 1.00 15.11 ATOM 751 CG MET 46 -1.551 -47.359 4.370 1.00 12.14 ATOM 752 HG1 MET 46 -2.306 -47.151 3.635 1.00 37.96 ATOM 753 HG2 MET 46 -1.229 -48.368 4.256 1.00 33.22 ATOM 754 SD MET 46 -0.131 -46.298 4.041 1.00 52.22 ATOM 755 CE MET 46 -0.884 -44.677 4.163 1.00 60.22 ATOM 756 HE1 MET 46 -1.950 -44.754 4.097 1.00 75.11 ATOM 757 HE2 MET 46 -0.531 -44.067 3.363 1.00 72.22 ATOM 758 HE3 MET 46 -0.617 -44.234 5.101 1.00 43.05 ATOM 759 C MET 46 -4.077 -48.705 5.546 1.00 24.33 ATOM 760 O MET 46 -5.188 -48.459 6.012 1.00 15.35 ATOM 761 N GLN 47 -3.898 -49.254 4.349 1.00 72.00 ATOM 762 HN GLN 47 -2.994 -49.471 4.042 1.00 37.96 ATOM 763 CA GLN 47 -5.026 -49.605 3.494 1.00 33.24 ATOM 764 HA GLN 47 -5.502 -48.691 3.179 1.00 54.54 ATOM 765 CB GLN 47 -4.540 -50.363 2.258 1.00 70.11 ATOM 766 HB1 GLN 47 -3.890 -51.162 2.581 1.00 37.96 ATOM 767 HB2 GLN 47 -3.976 -49.686 1.634 1.00 23.12 ATOM 768 CG GLN 47 -5.664 -50.982 1.443 1.00 60.03 ATOM 769 HG1 GLN 47 -6.501 -50.294 1.411 1.00 37.96 ATOM 770 HG2 GLN 47 -5.974 -51.900 1.920 1.00 4.41 ATOM 771 CD GLN 47 -5.246 -51.302 0.021 1.00 21.11 ATOM 772 OE1 GLN 47 -4.070 -51.546 -0.253 1.00 34.34 ATOM 773 NE2 GLN 47 -6.209 -51.303 -0.893 1.00 43.25 ATOM 774 HE21 GLN 47 -7.132 -51.101 -0.617 1.00 4.11 ATOM 775 HE22 GLN 47 -5.959 -51.508 -1.818 1.00 64.42 ATOM 776 C GLN 47 -6.044 -50.449 4.255 1.00 25.23 ATOM 777 O GLN 47 -7.245 -50.374 3.998 1.00 72.41 ATOM 778 N LYS 48 -5.554 -51.253 5.194 1.00 55.23 ATOM 779 HN LYS 48 -4.581 -51.307 5.337 1.00 37.96 ATOM 780 CA LYS 48 -6.420 -52.111 5.994 1.00 60.23 ATOM 781 HA LYS 48 -7.144 -52.577 5.334 1.00 61.50 ATOM 782 CB LYS 48 -5.596 -53.201 6.683 1.00 3.21 ATOM 783 HB1 LYS 48 -6.118 -53.544 7.569 1.00 37.96 ATOM 784 HB2 LYS 48 -4.649 -52.786 6.983 1.00 12.22 ATOM 785 CG LYS 48 -5.340 -54.415 5.808 1.00 70.53 ATOM 786 HG1 LYS 48 -5.094 -54.081 4.805 1.00 37.96 ATOM 787 HG2 LYS 48 -6.235 -55.018 5.778 1.00 23.42 ATOM 788 CD LYS 48 -4.197 -55.260 6.345 1.00 2.35 ATOM 789 HD1 LYS 48 -4.543 -55.796 7.217 1.00 37.96 ATOM 790 HD2 LYS 48 -3.369 -54.623 6.621 1.00 12.05 ATOM 791 CE LYS 48 -3.714 -56.267 5.313 1.00 41.31 ATOM 792 HE1 LYS 48 -3.613 -55.776 4.353 1.00 37.96 ATOM 793 HE2 LYS 48 -4.442 -57.060 5.235 1.00 12.05 ATOM 794 NZ LYS 48 -2.398 -56.856 5.686 1.00 52.00 ATOM 795 HZ1 LYS 48 -2.468 -57.350 6.600 1.00 33.15 ATOM 796 HZ2 LYS 48 -1.675 -56.110 5.761 1.00 65.53 ATOM 797 HZ3 LYS 48 -2.097 -57.538 4.961 1.00 60.53 ATOM 798 C LYS 48 -7.180 -51.297 7.036 1.00 22.54 ATOM 799 O LYS 48 -8.332 -51.595 7.351 1.00 73.15 ATOM 800 N ARG 49 -6.527 -50.269 7.568 1.00 13.02 ATOM 801 HN ARG 49 -5.601 -50.087 7.296 1.00 37.96 ATOM 802 CA ARG 49 -7.142 -49.412 8.575 1.00 30.42 ATOM 803 HA ARG 49 -7.655 -50.040 9.294 1.00 30.22 ATOM 804 CB ARG 49 -6.071 -48.605 9.311 1.00 53.31 ATOM 805 HB1 ARG 49 -5.109 -49.087 9.185 1.00 37.96 ATOM 806 HB2 ARG 49 -6.319 -48.594 10.363 1.00 22.55 ATOM 807 CG ARG 49 -5.961 -47.165 8.836 1.00 63.11 ATOM 808 HG1 ARG 49 -6.843 -46.620 9.139 1.00 37.96 ATOM 809 HG2 ARG 49 -5.879 -47.158 7.776 1.00 2.53 ATOM 810 CD ARG 49 -4.744 -46.474 9.431 1.00 11.12 ATOM 811 HD1 ARG 49 -4.833 -45.407 9.294 1.00 37.96 ATOM 812 HD2 ARG 49 -3.865 -46.824 8.910 1.00 64.21 ATOM 813 NE ARG 49 -4.589 -46.768 10.853 1.00 1.33 ATOM 814 HE ARG 49 -3.901 -47.421 11.105 1.00 65.13 ATOM 815 CZ ARG 49 -5.329 -46.209 11.804 1.00 11.32 ATOM 816 NH1 ARG 49 -6.271 -45.332 11.486 1.00 11.40 ATOM 817 HH11 ARG 49 -6.447 -45.069 10.543 1.00 25.51 ATOM 818 HH12 ARG 49 -6.824 -44.919 12.213 1.00 60.11 ATOM 819 NH2 ARG 49 -5.128 -46.527 13.076 1.00 31.35 ATOM 820 HH21 ARG 49 -4.418 -47.189 13.323 1.00 30.31 ATOM 821 HH22 ARG 49 -5.685 -46.106 13.795 1.00 34.13 ATOM 822 C ARG 49 -8.159 -48.469 7.939 1.00 3.01 ATOM 823 O ARG 49 -8.987 -47.876 8.629 1.00 73.31 ATOM 824 N GLY 50 -8.088 -48.334 6.618 1.00 33.41 ATOM 825 HN GLY 50 -7.404 -48.803 6.101 1.00 37.96 ATOM 826 CA GLY 50 -9.007 -47.461 5.911 1.00 31.44 ATOM 827 HA1 GLY 50 -9.827 -47.163 6.553 1.00 37.96 ATOM 828 HA2 GLY 50 -9.415 -48.007 5.073 1.00 40.33 ATOM 829 C GLY 50 -8.329 -46.214 5.380 1.00 32.02 ATOM 830 O GLY 50 -8.894 -45.121 5.431 1.00 53.04 ATOM 831 N THR 51 -7.112 -46.375 4.870 1.00 20.33 ATOM 832 HN THR 51 -6.708 -47.272 4.843 1.00 37.96 ATOM 833 CA THR 51 -6.355 -45.253 4.330 1.00 23.24 ATOM 834 HA THR 51 -7.014 -44.652 3.716 1.00 33.15 ATOM 835 CB THR 51 -5.816 -44.347 5.453 1.00 24.13 ATOM 836 HB THR 51 -6.655 -43.883 5.953 1.00 54.32 ATOM 837 OG1 THR 51 -4.978 -43.326 4.899 1.00 31.25 ATOM 838 HG1 THR 51 -4.959 -42.568 5.489 1.00 72.43 ATOM 839 CG2 THR 51 -5.029 -45.158 6.472 1.00 12.23 ATOM 840 HG21 THR 51 -4.963 -46.188 6.188 1.00 55.10 ATOM 841 HG22 THR 51 -5.534 -45.067 7.404 1.00 71.43 ATOM 842 HG23 THR 51 -4.033 -44.747 6.571 1.00 63.04 ATOM 843 C THR 51 -5.187 -45.737 3.479 1.00 63.23 ATOM 844 O THR 51 -4.021 -45.626 3.860 1.00 73.22 ATOM 845 N PRO 52 -5.503 -46.287 2.297 1.00 40.22 ATOM 846 CA PRO 52 -4.493 -46.798 1.366 1.00 44.44 ATOM 847 HA PRO 52 -3.832 -47.504 1.847 1.00 73.13 ATOM 848 CB PRO 52 -5.324 -47.515 0.299 1.00 43.32 ATOM 849 HB1 PRO 52 -5.415 -48.545 0.544 1.00 37.96 ATOM 850 HB2 PRO 52 -4.878 -47.424 -0.681 1.00 44.14 ATOM 851 CG PRO 52 -6.655 -46.847 0.344 1.00 61.43 ATOM 852 HG1 PRO 52 -7.423 -47.536 0.026 1.00 37.96 ATOM 853 HG2 PRO 52 -6.649 -45.972 -0.290 1.00 12.42 ATOM 854 CD PRO 52 -6.871 -46.451 1.778 1.00 33.41 ATOM 855 HD1 PRO 52 -7.396 -47.231 2.311 1.00 37.96 ATOM 856 HD2 PRO 52 -7.421 -45.524 1.824 1.00 55.44 ATOM 857 C PRO 52 -3.667 -45.681 0.736 1.00 10.21 ATOM 858 O PRO 52 -3.761 -44.522 1.141 1.00 52.14 ATOM 859 N VAL 53 -2.858 -46.037 -0.257 1.00 1.33 ATOM 860 HN VAL 53 -2.795 -46.981 -0.528 1.00 37.96 ATOM 861 CA VAL 53 -2.017 -45.064 -0.943 1.00 44.24 ATOM 862 HA VAL 53 -2.235 -44.072 -0.556 1.00 53.14 ATOM 863 CB VAL 53 -0.522 -45.342 -0.698 1.00 63.22 ATOM 864 HB VAL 53 -0.291 -46.331 -1.069 1.00 12.23 ATOM 865 CG1 VAL 53 0.339 -44.339 -1.451 1.00 11.01 ATOM 866 HG11 VAL 53 0.014 -43.332 -1.225 1.00 50.41 ATOM 867 HG12 VAL 53 0.264 -44.512 -2.514 1.00 23.15 ATOM 868 HG13 VAL 53 1.374 -44.452 -1.154 1.00 51.14 ATOM 869 CG2 VAL 53 -0.212 -45.312 0.791 1.00 42.32 ATOM 870 HG21 VAL 53 -0.764 -44.523 1.266 1.00 74.30 ATOM 871 HG22 VAL 53 0.846 -45.157 0.956 1.00 4.22 ATOM 872 HG23 VAL 53 -0.507 -46.256 1.216 1.00 64.04 ATOM 873 C VAL 53 -2.284 -45.069 -2.444 1.00 43.23 ATOM 874 O VAL 53 -2.194 -46.107 -3.097 1.00 72.44 ATOM 875 N ASN 54 -2.612 -43.900 -2.985 1.00 41.13 ATOM 876 HN ASN 54 -2.675 -43.098 -2.419 1.00 37.96 ATOM 877 CA ASN 54 -2.892 -43.769 -4.411 1.00 34.25 ATOM 878 HA ASN 54 -2.745 -44.728 -4.897 1.00 32.12 ATOM 879 CB ASN 54 -4.339 -43.320 -4.628 1.00 21.42 ATOM 880 HB1 ASN 54 -4.430 -42.839 -5.596 1.00 37.96 ATOM 881 HB2 ASN 54 -4.610 -42.608 -3.861 1.00 41.32 ATOM 882 CG ASN 54 -5.315 -44.481 -4.598 1.00 1.35 ATOM 883 OD1 ASN 54 -5.245 -45.387 -5.428 1.00 52.20 ATOM 884 ND2 ASN 54 -6.232 -44.457 -3.637 1.00 62.52 ATOM 885 HD21 ASN 54 -6.243 -43.708 -2.999 1.00 14.34 ATOM 886 HD22 ASN 54 -6.872 -45.199 -3.601 1.00 40.50 ATOM 887 C ASN 54 -1.936 -42.776 -5.064 1.00 54.02 ATOM 888 O ASN 54 -1.276 -43.093 -6.054 1.00 33.53 ATOM 889 N ARG 55 -1.867 -41.573 -4.504 1.00 13.04 ATOM 890 HN ARG 55 -2.413 -41.372 -3.710 1.00 37.96 ATOM 891 CA ARG 55 -0.993 -40.533 -5.032 1.00 2.01 ATOM 892 HA ARG 55 -0.549 -40.874 -5.960 1.00 70.00 ATOM 893 CB ARG 55 -1.794 -39.263 -5.325 1.00 31.15 ATOM 894 HB1 ARG 55 -2.587 -39.508 -6.017 1.00 37.96 ATOM 895 HB2 ARG 55 -1.135 -38.542 -5.793 1.00 1.21 ATOM 896 CG ARG 55 -2.421 -38.640 -4.088 1.00 72.20 ATOM 897 HG1 ARG 55 -1.796 -38.796 -3.222 1.00 37.96 ATOM 898 HG2 ARG 55 -3.382 -39.101 -3.919 1.00 32.11 ATOM 899 CD ARG 55 -2.630 -37.144 -4.263 1.00 20.12 ATOM 900 HD1 ARG 55 -1.669 -36.694 -4.472 1.00 37.96 ATOM 901 HD2 ARG 55 -3.023 -36.740 -3.341 1.00 10.21 ATOM 902 NE ARG 55 -3.562 -36.844 -5.347 1.00 24.42 ATOM 903 HE ARG 55 -4.174 -37.559 -5.639 1.00 22.44 ATOM 904 CZ ARG 55 -3.631 -35.663 -5.951 1.00 20.32 ATOM 905 NH1 ARG 55 -2.827 -34.677 -5.579 1.00 13.42 ATOM 906 HH11 ARG 55 -2.162 -34.791 -4.846 1.00 41.43 ATOM 907 HH12 ARG 55 -2.885 -33.791 -6.045 1.00 43.51 ATOM 908 NH2 ARG 55 -4.505 -35.468 -6.930 1.00 12.44 ATOM 909 HH21 ARG 55 -5.115 -36.210 -7.216 1.00 24.21 ATOM 910 HH22 ARG 55 -4.559 -34.578 -7.387 1.00 42.43 ATOM 911 C ARG 55 0.135 -40.221 -4.052 1.00 72.32 ATOM 912 O ARG 55 0.039 -40.527 -2.863 1.00 41.32 ATOM 913 N ILE 56 1.201 -39.613 -4.560 1.00 2.31 ATOM 914 HN ILE 56 1.230 -39.399 -5.522 1.00 37.96 ATOM 915 CA ILE 56 2.346 -39.260 -3.730 1.00 1.43 ATOM 916 HA ILE 56 2.077 -39.445 -2.701 1.00 23.44 ATOM 917 CB ILE 56 3.570 -40.136 -4.056 1.00 51.32 ATOM 918 HB ILE 56 3.843 -39.963 -5.089 1.00 20.24 ATOM 919 CG1 ILE 56 3.230 -41.615 -3.867 1.00 23.54 ATOM 920 HG11 ILE 56 2.269 -41.833 -4.307 1.00 37.96 ATOM 921 HG12 ILE 56 3.192 -41.851 -2.813 1.00 62.01 ATOM 922 CG2 ILE 56 4.752 -39.742 -3.183 1.00 14.32 ATOM 923 HG21 ILE 56 5.616 -40.322 -3.472 1.00 34.31 ATOM 924 HG22 ILE 56 4.527 -39.947 -2.149 1.00 43.42 ATOM 925 HG23 ILE 56 4.984 -38.695 -3.301 1.00 62.13 ATOM 926 CD1 ILE 56 4.226 -42.552 -4.515 1.00 54.22 ATOM 927 HD11 ILE 56 5.228 -42.219 -4.316 1.00 4.24 ATOM 928 HD12 ILE 56 4.059 -42.578 -5.581 1.00 12.14 ATOM 929 HD13 ILE 56 4.089 -43.535 -4.105 1.00 10.42 ATOM 930 C ILE 56 2.723 -37.793 -3.908 1.00 11.21 ATOM 931 O ILE 56 2.825 -37.283 -5.024 1.00 75.42 ATOM 932 N PRO 57 2.937 -37.096 -2.782 1.00 43.11 ATOM 933 CA PRO 57 3.309 -35.678 -2.787 1.00 51.14 ATOM 934 HA PRO 57 2.606 -35.090 -3.363 1.00 63.44 ATOM 935 CB PRO 57 3.217 -35.282 -1.312 1.00 4.43 ATOM 936 HB1 PRO 57 2.240 -34.885 -1.137 1.00 37.96 ATOM 937 HB2 PRO 57 3.964 -34.537 -1.061 1.00 73.32 ATOM 938 CG PRO 57 3.429 -36.553 -0.564 1.00 43.23 ATOM 939 HG1 PRO 57 2.930 -36.511 0.391 1.00 37.96 ATOM 940 HG2 PRO 57 4.487 -36.724 -0.426 1.00 5.14 ATOM 941 CD PRO 57 2.834 -37.639 -1.417 1.00 51.22 ATOM 942 HD1 PRO 57 1.801 -37.804 -1.146 1.00 37.96 ATOM 943 HD2 PRO 57 3.397 -38.538 -1.297 1.00 72.34 ATOM 944 C PRO 57 4.722 -35.451 -3.313 1.00 62.13 ATOM 945 O PRO 57 5.607 -36.285 -3.121 1.00 23.32 ATOM 946 N ILE 58 4.927 -34.318 -3.977 1.00 31.23 ATOM 947 HN ILE 58 4.186 -33.684 -4.105 1.00 37.96 ATOM 948 CA ILE 58 6.233 -33.982 -4.528 1.00 44.04 ATOM 949 HA ILE 58 6.923 -34.794 -4.323 1.00 22.53 ATOM 950 CB ILE 58 6.168 -33.791 -6.055 1.00 73.13 ATOM 951 HB ILE 58 5.497 -32.980 -6.250 1.00 3.14 ATOM 952 CG1 ILE 58 5.633 -35.058 -6.727 1.00 14.51 ATOM 953 HG11 ILE 58 5.558 -34.893 -7.791 1.00 37.96 ATOM 954 HG12 ILE 58 4.651 -35.287 -6.339 1.00 31.02 ATOM 955 CG2 ILE 58 7.541 -33.434 -6.604 1.00 11.20 ATOM 956 HG21 ILE 58 7.570 -33.609 -7.668 1.00 23.20 ATOM 957 HG22 ILE 58 8.291 -34.038 -6.133 1.00 35.11 ATOM 958 HG23 ILE 58 7.747 -32.391 -6.413 1.00 52.54 ATOM 959 CD1 ILE 58 6.510 -36.271 -6.514 1.00 32.34 ATOM 960 HD11 ILE 58 7.538 -36.047 -6.753 1.00 71.45 ATOM 961 HD12 ILE 58 6.166 -37.071 -7.152 1.00 4.11 ATOM 962 HD13 ILE 58 6.435 -36.584 -5.485 1.00 73.20 ATOM 963 C ILE 58 6.789 -32.712 -3.892 1.00 73.31 ATOM 964 O ILE 58 6.183 -31.645 -3.983 1.00 3.32 ATOM 965 N MET 59 7.945 -32.836 -3.250 1.00 25.14 ATOM 966 HN MET 59 8.395 -33.712 -3.215 1.00 37.96 ATOM 967 CA MET 59 8.584 -31.697 -2.601 1.00 24.14 ATOM 968 HA MET 59 7.874 -30.877 -2.567 1.00 72.44 ATOM 969 CB MET 59 8.980 -32.056 -1.167 1.00 44.11 ATOM 970 HB1 MET 59 9.894 -32.637 -1.182 1.00 37.96 ATOM 971 HB2 MET 59 8.199 -32.666 -0.729 1.00 24.11 ATOM 972 CG MET 59 9.208 -30.844 -0.278 1.00 74.00 ATOM 973 HG1 MET 59 9.792 -30.115 -0.822 1.00 37.96 ATOM 974 HG2 MET 59 9.764 -31.159 0.592 1.00 52.31 ATOM 975 SD MET 59 7.666 -30.071 0.250 1.00 44.04 ATOM 976 CE MET 59 7.668 -30.470 1.996 1.00 40.23 ATOM 977 HE1 MET 59 8.520 -30.007 2.470 1.00 13.44 ATOM 978 HE2 MET 59 7.726 -31.541 2.120 1.00 13.20 ATOM 979 HE3 MET 59 6.760 -30.104 2.450 1.00 71.02 ATOM 980 C MET 59 9.814 -31.245 -3.382 1.00 71.43 ATOM 981 O MET 59 10.665 -32.058 -3.742 1.00 4.12 ATOM 982 N ALA 60 9.900 -29.945 -3.642 1.00 55.21 ATOM 983 HN ALA 60 9.193 -29.334 -3.333 1.00 37.96 ATOM 984 CA ALA 60 11.026 -29.386 -4.380 1.00 14.34 ATOM 985 HA ALA 60 10.821 -28.340 -4.559 1.00 43.33 ATOM 986 CB ALA 60 12.299 -29.484 -3.553 1.00 10.45 ATOM 987 HB1 ALA 60 13.088 -28.924 -4.032 1.00 15.30 ATOM 988 HB2 ALA 60 12.598 -30.519 -3.454 1.00 43.15 ATOM 989 HB3 ALA 60 12.106 -29.073 -2.577 1.00 30.02 ATOM 990 C ALA 60 11.208 -30.089 -5.720 1.00 72.31 ATOM 991 O ALA 60 12.333 -30.323 -6.163 1.00 34.43 ATOM 992 N LYS 61 10.094 -30.426 -6.363 1.00 4.54 ATOM 993 HN LYS 61 9.216 -30.208 -5.980 1.00 37.96 ATOM 994 CA LYS 61 10.130 -31.102 -7.654 1.00 22.44 ATOM 995 HA LYS 61 9.113 -31.220 -7.995 1.00 12.45 ATOM 996 CB LYS 61 10.903 -30.261 -8.672 1.00 72.53 ATOM 997 HB1 LYS 61 10.853 -30.751 -9.635 1.00 37.96 ATOM 998 HB2 LYS 61 11.941 -30.205 -8.379 1.00 11.11 ATOM 999 CG LYS 61 10.381 -28.841 -8.809 1.00 63.53 ATOM 1000 HG1 LYS 61 11.226 -28.198 -8.981 1.00 37.96 ATOM 1001 HG2 LYS 61 9.889 -28.533 -7.895 1.00 40.35 ATOM 1002 CD LYS 61 9.390 -28.720 -9.954 1.00 40.54 ATOM 1003 HD1 LYS 61 8.390 -28.797 -9.555 1.00 37.96 ATOM 1004 HD2 LYS 61 9.550 -29.508 -10.679 1.00 33.02 ATOM 1005 CE LYS 61 9.526 -27.384 -10.669 1.00 52.13 ATOM 1006 HE1 LYS 61 9.339 -26.587 -9.963 1.00 37.96 ATOM 1007 HE2 LYS 61 8.793 -27.340 -11.461 1.00 51.20 ATOM 1008 NZ LYS 61 10.882 -27.205 -11.257 1.00 4.53 ATOM 1009 HZ1 LYS 61 10.853 -26.458 -11.981 1.00 71.13 ATOM 1010 HZ2 LYS 61 11.215 -28.085 -11.705 1.00 42.50 ATOM 1011 HZ3 LYS 61 11.561 -26.923 -10.523 1.00 12.00 ATOM 1012 C LYS 61 10.770 -32.481 -7.527 1.00 72.43 ATOM 1013 O LYS 61 11.305 -33.018 -8.497 1.00 41.41 ATOM 1014 N GLN 62 10.709 -33.049 -6.327 1.00 72.53 ATOM 1015 HN GLN 62 10.242 -32.604 -5.595 1.00 37.96 ATOM 1016 CA GLN 62 11.282 -34.367 -6.076 1.00 52.51 ATOM 1017 HA GLN 62 11.377 -34.892 -7.021 1.00 42.24 ATOM 1018 CB GLN 62 12.674 -34.231 -5.458 1.00 2.45 ATOM 1019 HB1 GLN 62 12.694 -33.355 -4.823 1.00 37.96 ATOM 1020 HB2 GLN 62 13.379 -34.090 -6.264 1.00 73.02 ATOM 1021 CG GLN 62 13.087 -35.430 -4.620 1.00 4.24 ATOM 1022 HG1 GLN 62 12.577 -36.320 -4.956 1.00 37.96 ATOM 1023 HG2 GLN 62 12.836 -35.242 -3.590 1.00 33.14 ATOM 1024 CD GLN 62 14.573 -35.719 -4.707 1.00 50.11 ATOM 1025 OE1 GLN 62 15.315 -35.015 -5.393 1.00 12.00 ATOM 1026 NE2 GLN 62 15.016 -36.759 -4.011 1.00 31.22 ATOM 1027 HE21 GLN 62 14.378 -37.287 -3.480 1.00 12.43 ATOM 1028 HE22 GLN 62 15.974 -36.962 -4.055 1.00 23.41 ATOM 1029 C GLN 62 10.382 -35.185 -5.157 1.00 32.43 ATOM 1030 O GLN 62 9.883 -34.682 -4.150 1.00 22.43 ATOM 1031 N VAL 63 10.177 -36.451 -5.510 1.00 43.50 ATOM 1032 HN VAL 63 10.576 -36.784 -6.347 1.00 37.96 ATOM 1033 CA VAL 63 9.338 -37.340 -4.716 1.00 53.23 ATOM 1034 HA VAL 63 8.331 -36.980 -4.775 1.00 52.05 ATOM 1035 CB VAL 63 9.373 -38.780 -5.261 1.00 64.03 ATOM 1036 HB VAL 63 8.970 -38.774 -6.263 1.00 74.34 ATOM 1037 CG1 VAL 63 10.805 -39.291 -5.327 1.00 34.02 ATOM 1038 HG11 VAL 63 10.810 -40.261 -5.803 1.00 24.23 ATOM 1039 HG12 VAL 63 11.213 -39.389 -4.334 1.00 53.24 ATOM 1040 HG13 VAL 63 11.421 -38.618 -5.903 1.00 61.55 ATOM 1041 CG2 VAL 63 8.511 -39.695 -4.405 1.00 54.31 ATOM 1042 HG21 VAL 63 7.489 -39.344 -4.411 1.00 61.30 ATOM 1043 HG22 VAL 63 8.878 -39.722 -3.390 1.00 53.24 ATOM 1044 HG23 VAL 63 8.548 -40.690 -4.809 1.00 61.31 ATOM 1045 C VAL 63 9.775 -37.350 -3.256 1.00 13.22 ATOM 1046 O VAL 63 10.963 -37.469 -2.952 1.00 54.44 ATOM 1047 N LEU 64 8.807 -37.225 -2.354 1.00 4.21 ATOM 1048 HN LEU 64 7.870 -37.147 -2.656 1.00 37.96 ATOM 1049 CA LEU 64 9.091 -37.220 -0.923 1.00 44.00 ATOM 1050 HA LEU 64 9.978 -36.620 -0.765 1.00 72.11 ATOM 1051 CB LEU 64 7.930 -36.587 -0.155 1.00 1.33 ATOM 1052 HB1 LEU 64 7.058 -37.217 -0.284 1.00 37.96 ATOM 1053 HB2 LEU 64 7.719 -35.626 -0.608 1.00 52.45 ATOM 1054 CG LEU 64 8.153 -36.374 1.343 1.00 50.30 ATOM 1055 HG LEU 64 8.372 -37.324 1.808 1.00 51.53 ATOM 1056 CD1 LEU 64 9.339 -35.452 1.580 1.00 11.33 ATOM 1057 HD11 LEU 64 9.192 -34.522 1.047 1.00 21.55 ATOM 1058 HD12 LEU 64 10.241 -35.927 1.230 1.00 2.30 ATOM 1059 HD13 LEU 64 9.436 -35.244 2.636 1.00 33.32 ATOM 1060 CD2 LEU 64 6.898 -35.810 1.994 1.00 23.21 ATOM 1061 HD21 LEU 64 7.083 -35.607 3.038 1.00 71.04 ATOM 1062 HD22 LEU 64 6.095 -36.527 1.908 1.00 63.34 ATOM 1063 HD23 LEU 64 6.613 -34.891 1.499 1.00 65.43 ATOM 1064 C LEU 64 9.342 -38.635 -0.413 1.00 31.42 ATOM 1065 O LEU 64 8.414 -39.435 -0.289 1.00 13.32 ATOM 1066 N ASP 65 10.601 -38.938 -0.117 1.00 1.33 ATOM 1067 HN ASP 65 11.302 -38.253 -0.235 1.00 37.96 ATOM 1068 CA ASP 65 10.974 -40.256 0.384 1.00 53.23 ATOM 1069 HA ASP 65 10.703 -40.985 -0.369 1.00 65.24 ATOM 1070 CB ASP 65 12.483 -40.328 0.618 1.00 65.04 ATOM 1071 HB1 ASP 65 12.729 -41.300 1.014 1.00 37.96 ATOM 1072 HB2 ASP 65 12.773 -39.568 1.329 1.00 74.53 ATOM 1073 CG ASP 65 13.277 -40.120 -0.657 1.00 44.01 ATOM 1074 OD1 ASP 65 14.116 -40.986 -0.982 1.00 25.30 ATOM 1075 OD2 ASP 65 13.059 -39.091 -1.330 1.00 61.33 ATOM 1076 C ASP 65 10.230 -40.576 1.677 1.00 62.34 ATOM 1077 O ASP 65 10.610 -40.116 2.754 1.00 14.41 ATOM 1078 N LEU 66 9.169 -41.368 1.562 1.00 3.52 ATOM 1079 HN LEU 66 8.915 -41.709 0.671 1.00 37.96 ATOM 1080 CA LEU 66 8.371 -41.749 2.722 1.00 20.31 ATOM 1081 HA LEU 66 8.050 -40.849 3.218 1.00 63.14 ATOM 1082 CB LEU 66 7.152 -42.561 2.282 1.00 74.13 ATOM 1083 HB1 LEU 66 6.750 -43.077 3.149 1.00 37.96 ATOM 1084 HB2 LEU 66 7.487 -43.307 1.573 1.00 63.43 ATOM 1085 CG LEU 66 6.013 -41.767 1.640 1.00 61.53 ATOM 1086 HG LEU 66 6.377 -41.292 0.740 1.00 21.40 ATOM 1087 CD1 LEU 66 4.870 -42.692 1.252 1.00 32.53 ATOM 1088 HD11 LEU 66 5.229 -43.441 0.560 1.00 61.14 ATOM 1089 HD12 LEU 66 4.084 -42.119 0.778 1.00 64.01 ATOM 1090 HD13 LEU 66 4.477 -43.178 2.135 1.00 30.03 ATOM 1091 CD2 LEU 66 5.524 -40.678 2.583 1.00 21.32 ATOM 1092 HD21 LEU 66 5.269 -41.108 3.542 1.00 41.41 ATOM 1093 HD22 LEU 66 4.648 -40.199 2.164 1.00 24.21 ATOM 1094 HD23 LEU 66 6.295 -39.937 2.715 1.00 41.25 ATOM 1095 C LEU 66 9.203 -42.557 3.714 1.00 54.25 ATOM 1096 O LEU 66 9.115 -42.352 4.924 1.00 25.15 ATOM 1097 N PHE 67 10.011 -43.474 3.192 1.00 54.35 ATOM 1098 HN PHE 67 10.031 -43.604 2.214 1.00 37.96 ATOM 1099 CA PHE 67 10.859 -44.311 4.031 1.00 64.54 ATOM 1100 HA PHE 67 10.216 -44.883 4.688 1.00 21.12 ATOM 1101 CB PHE 67 11.675 -45.275 3.166 1.00 32.43 ATOM 1102 HB1 PHE 67 12.430 -44.727 2.615 1.00 37.96 ATOM 1103 HB2 PHE 67 11.002 -45.730 2.473 1.00 14.44 ATOM 1104 CG PHE 67 12.348 -46.364 3.953 1.00 14.53 ATOM 1105 CD1 PHE 67 11.789 -47.629 4.028 1.00 31.31 ATOM 1106 HD1 PHE 67 10.866 -47.834 3.529 1.00 73.43 ATOM 1107 CD2 PHE 67 13.539 -46.121 4.618 1.00 51.21 ATOM 1108 HD2 PHE 67 13.988 -45.138 4.569 1.00 13.23 ATOM 1109 CE1 PHE 67 12.406 -48.632 4.752 1.00 14.14 ATOM 1110 HE1 PHE 67 11.974 -49.612 4.801 1.00 23.45 ATOM 1111 CE2 PHE 67 14.160 -47.120 5.343 1.00 4.24 ATOM 1112 HE2 PHE 67 15.088 -46.918 5.857 1.00 37.96 ATOM 1113 CZ PHE 67 13.593 -48.377 5.410 1.00 64.33 ATOM 1114 HZ PHE 67 14.077 -49.159 5.976 1.00 12.14 ATOM 1115 C PHE 67 11.795 -43.458 4.881 1.00 2.25 ATOM 1116 O PHE 67 11.886 -43.639 6.095 1.00 22.22 ATOM 1117 N MET 68 12.489 -42.527 4.235 1.00 41.12 ATOM 1118 HN MET 68 12.346 -42.413 3.267 1.00 37.96 ATOM 1119 CA MET 68 13.418 -41.644 4.932 1.00 73.53 ATOM 1120 HA MET 68 14.108 -42.253 5.494 1.00 33.11 ATOM 1121 CB MET 68 14.194 -40.790 3.928 1.00 70.34 ATOM 1122 HB1 MET 68 14.937 -40.205 4.444 1.00 37.96 ATOM 1123 HB2 MET 68 13.492 -40.127 3.444 1.00 30.30 ATOM 1124 CG MET 68 14.870 -41.602 2.834 1.00 12.51 ATOM 1125 HG1 MET 68 15.452 -40.934 2.217 1.00 37.96 ATOM 1126 HG2 MET 68 14.120 -42.080 2.233 1.00 54.22 ATOM 1127 SD MET 68 15.963 -42.876 3.490 1.00 24.22 ATOM 1128 CE MET 68 16.866 -41.945 4.726 1.00 71.04 ATOM 1129 HE1 MET 68 16.219 -41.728 5.562 1.00 34.40 ATOM 1130 HE2 MET 68 17.217 -41.020 4.293 1.00 75.03 ATOM 1131 HE3 MET 68 17.711 -42.525 5.067 1.00 5.31 ATOM 1132 C MET 68 12.678 -40.745 5.917 1.00 74.31 ATOM 1133 O MET 68 13.101 -40.581 7.062 1.00 50.12 ATOM 1134 N LEU 69 11.571 -40.165 5.465 1.00 22.22 ATOM 1135 HN LEU 69 11.288 -40.327 4.534 1.00 37.96 ATOM 1136 CA LEU 69 10.772 -39.282 6.307 1.00 11.12 ATOM 1137 HA LEU 69 11.378 -38.421 6.542 1.00 60.52 ATOM 1138 CB LEU 69 9.510 -38.840 5.564 1.00 70.42 ATOM 1139 HB1 LEU 69 8.700 -39.514 5.825 1.00 37.96 ATOM 1140 HB2 LEU 69 9.682 -38.933 4.504 1.00 61.32 ATOM 1141 CG LEU 69 9.042 -37.409 5.828 1.00 53.12 ATOM 1142 HG LEU 69 8.982 -37.247 6.895 1.00 22.44 ATOM 1143 CD1 LEU 69 10.035 -36.409 5.257 1.00 1.43 ATOM 1144 HD11 LEU 69 11.000 -36.546 5.719 1.00 25.14 ATOM 1145 HD12 LEU 69 9.693 -35.408 5.452 1.00 22.13 ATOM 1146 HD13 LEU 69 10.126 -36.556 4.192 1.00 73.30 ATOM 1147 CD2 LEU 69 7.657 -37.184 5.238 1.00 10.55 ATOM 1148 HD21 LEU 69 7.307 -36.196 5.497 1.00 33.52 ATOM 1149 HD22 LEU 69 6.970 -37.918 5.615 1.00 34.15 ATOM 1150 HD23 LEU 69 7.708 -37.276 4.165 1.00 11.34 ATOM 1151 C LEU 69 10.391 -39.972 7.613 1.00 22.02 ATOM 1152 O LEU 69 10.566 -39.413 8.696 1.00 33.13 ATOM 1153 N TYR 70 9.873 -41.190 7.503 1.00 13.02 ATOM 1154 HN TYR 70 9.758 -41.587 6.606 1.00 37.96 ATOM 1155 CA TYR 70 9.467 -41.957 8.675 1.00 3.22 ATOM 1156 HA TYR 70 8.769 -41.367 9.245 1.00 61.13 ATOM 1157 CB TYR 70 8.781 -43.256 8.249 1.00 45.34 ATOM 1158 HB1 TYR 70 9.445 -43.798 7.588 1.00 37.96 ATOM 1159 HB2 TYR 70 7.879 -43.022 7.711 1.00 1.43 ATOM 1160 CG TYR 70 8.425 -44.161 9.406 1.00 4.02 ATOM 1161 CD1 TYR 70 7.170 -44.104 9.998 1.00 52.11 ATOM 1162 HD1 TYR 70 6.440 -43.400 9.623 1.00 63.35 ATOM 1163 CD2 TYR 70 9.345 -45.074 9.907 1.00 31.34 ATOM 1164 HD2 TYR 70 10.328 -45.134 9.460 1.00 73.31 ATOM 1165 CE1 TYR 70 6.841 -44.929 11.056 1.00 13.52 ATOM 1166 HE1 TYR 70 5.860 -44.870 11.501 1.00 4.23 ATOM 1167 CE2 TYR 70 9.024 -45.904 10.964 1.00 0.04 ATOM 1168 HE2 TYR 70 9.753 -46.607 11.339 1.00 2.55 ATOM 1169 CZ TYR 70 7.771 -45.827 11.536 1.00 50.03 ATOM 1170 OH TYR 70 7.447 -46.651 12.589 1.00 75.22 ATOM 1171 HH TYR 70 7.899 -46.357 13.386 1.00 11.14 ATOM 1172 C TYR 70 10.668 -42.270 9.563 1.00 33.22 ATOM 1173 O TYR 70 10.678 -41.945 10.751 1.00 63.15 ATOM 1174 N VAL 71 11.679 -42.904 8.978 1.00 71.11 ATOM 1175 HN VAL 71 11.617 -43.108 8.016 1.00 37.96 ATOM 1176 CA VAL 71 12.886 -43.261 9.714 1.00 41.23 ATOM 1177 HA VAL 71 12.620 -44.009 10.450 1.00 31.45 ATOM 1178 CB VAL 71 13.958 -43.853 8.780 1.00 60.52 ATOM 1179 HB VAL 71 14.207 -43.114 8.030 1.00 50.22 ATOM 1180 CG1 VAL 71 15.221 -44.185 9.559 1.00 4.14 ATOM 1181 HG11 VAL 71 15.906 -44.734 8.925 1.00 43.51 ATOM 1182 HG12 VAL 71 14.975 -44.790 10.421 1.00 5.54 ATOM 1183 HG13 VAL 71 15.703 -43.275 9.885 1.00 44.13 ATOM 1184 CG2 VAL 71 13.422 -45.087 8.069 1.00 54.44 ATOM 1185 HG21 VAL 71 12.358 -45.027 7.915 1.00 70.42 ATOM 1186 HG22 VAL 71 13.636 -45.976 8.649 1.00 35.42 ATOM 1187 HG23 VAL 71 13.911 -45.163 7.119 1.00 2.35 ATOM 1188 C VAL 71 13.469 -42.050 10.434 1.00 35.01 ATOM 1189 O VAL 71 13.913 -42.149 11.579 1.00 72.13 ATOM 1190 N LEU 72 13.463 -40.907 9.757 1.00 3.02 ATOM 1191 HN LEU 72 13.097 -40.887 8.843 1.00 37.96 ATOM 1192 CA LEU 72 13.991 -39.675 10.333 1.00 52.43 ATOM 1193 HA LEU 72 14.952 -39.899 10.768 1.00 61.03 ATOM 1194 CB LEU 72 14.147 -38.608 9.248 1.00 51.24 ATOM 1195 HB1 LEU 72 13.959 -37.641 9.687 1.00 37.96 ATOM 1196 HB2 LEU 72 13.401 -38.765 8.488 1.00 2.12 ATOM 1197 CG LEU 72 15.517 -38.532 8.573 1.00 0.11 ATOM 1198 HG LEU 72 15.496 -37.760 7.818 1.00 32.10 ATOM 1199 CD1 LEU 72 16.591 -38.168 9.586 1.00 24.32 ATOM 1200 HD11 LEU 72 16.320 -37.251 10.092 1.00 54.43 ATOM 1201 HD12 LEU 72 17.531 -38.022 9.073 1.00 35.30 ATOM 1202 HD13 LEU 72 16.703 -38.959 10.312 1.00 31.43 ATOM 1203 CD2 LEU 72 15.849 -39.851 7.891 1.00 43.12 ATOM 1204 HD21 LEU 72 15.742 -40.675 8.580 1.00 2.04 ATOM 1205 HD22 LEU 72 16.871 -39.824 7.533 1.00 54.41 ATOM 1206 HD23 LEU 72 15.199 -39.993 7.051 1.00 35.03 ATOM 1207 C LEU 72 13.080 -39.158 11.442 1.00 23.42 ATOM 1208 O LEU 72 13.512 -38.979 12.581 1.00 20.11 ATOM 1209 N VAL 73 11.817 -38.923 11.102 1.00 11.14 ATOM 1210 HN VAL 73 11.531 -39.089 10.174 1.00 37.96 ATOM 1211 CA VAL 73 10.844 -38.431 12.070 1.00 11.43 ATOM 1212 HA VAL 73 11.130 -37.426 12.350 1.00 23.12 ATOM 1213 CB VAL 73 9.426 -38.390 11.470 1.00 41.22 ATOM 1214 HB VAL 73 9.202 -39.364 11.060 1.00 3.14 ATOM 1215 CG1 VAL 73 8.398 -38.079 12.547 1.00 5.03 ATOM 1216 HG11 VAL 73 8.236 -38.955 13.158 1.00 55.41 ATOM 1217 HG12 VAL 73 7.458 -37.804 12.086 1.00 14.33 ATOM 1218 HG13 VAL 73 8.733 -37.271 13.167 1.00 24.01 ATOM 1219 CG2 VAL 73 9.354 -37.370 10.343 1.00 24.40 ATOM 1220 HG21 VAL 73 10.237 -37.416 9.727 1.00 52.22 ATOM 1221 HG22 VAL 73 9.271 -36.372 10.755 1.00 44.34 ATOM 1222 HG23 VAL 73 8.485 -37.575 9.735 1.00 34.21 ATOM 1223 C VAL 73 10.828 -39.298 13.324 1.00 63.22 ATOM 1224 O VAL 73 10.671 -38.797 14.438 1.00 63.31 ATOM 1225 N THR 74 10.993 -40.604 13.135 1.00 12.13 ATOM 1226 HN THR 74 11.109 -40.954 12.222 1.00 37.96 ATOM 1227 CA THR 74 10.997 -41.543 14.250 1.00 2.52 ATOM 1228 HA THR 74 10.145 -41.326 14.886 1.00 43.34 ATOM 1229 CB THR 74 10.876 -42.998 13.760 1.00 40.30 ATOM 1230 HB THR 74 11.004 -43.668 14.603 1.00 74.53 ATOM 1231 OG1 THR 74 11.890 -43.273 12.787 1.00 52.11 ATOM 1232 HG1 THR 74 12.072 -44.216 12.767 1.00 10.32 ATOM 1233 CG2 THR 74 9.503 -43.253 13.156 1.00 44.33 ATOM 1234 HG21 THR 74 9.030 -44.059 13.695 1.00 64.31 ATOM 1235 HG22 THR 74 9.607 -43.534 12.127 1.00 11.45 ATOM 1236 HG23 THR 74 8.887 -42.372 13.219 1.00 41.41 ATOM 1237 C THR 74 12.267 -41.403 15.082 1.00 40.51 ATOM 1238 O THR 74 12.207 -41.256 16.302 1.00 0.41 ATOM 1239 N GLU 75 13.415 -41.448 14.413 1.00 21.51 ATOM 1240 HN GLU 75 13.397 -41.565 13.433 1.00 37.96 ATOM 1241 CA GLU 75 14.699 -41.327 15.093 1.00 45.44 ATOM 1242 HA GLU 75 14.777 -42.133 15.810 1.00 44.22 ATOM 1243 CB GLU 75 15.847 -41.449 14.088 1.00 72.23 ATOM 1244 HB1 GLU 75 15.533 -42.055 13.256 1.00 37.96 ATOM 1245 HB2 GLU 75 16.674 -41.951 14.574 1.00 73.23 ATOM 1246 CG GLU 75 16.330 -40.113 13.550 1.00 41.23 ATOM 1247 HG1 GLU 75 15.529 -39.405 13.489 1.00 37.96 ATOM 1248 HG2 GLU 75 16.713 -40.280 12.554 1.00 0.33 ATOM 1249 CD GLU 75 17.454 -39.522 14.379 1.00 61.34 ATOM 1250 OE1 GLU 75 17.189 -38.573 15.145 1.00 1.43 ATOM 1251 OE2 GLU 75 18.598 -40.009 14.261 1.00 51.13 ATOM 1252 C GLU 75 14.799 -39.997 15.835 1.00 55.25 ATOM 1253 O GLU 75 15.599 -39.846 16.758 1.00 53.31 ATOM 1254 N LYS 76 13.980 -39.034 15.423 1.00 32.45 ATOM 1255 HN LYS 76 13.398 -39.176 14.646 1.00 37.96 ATOM 1256 CA LYS 76 13.973 -37.717 16.048 1.00 52.33 ATOM 1257 HA LYS 76 14.990 -37.458 16.313 1.00 42.45 ATOM 1258 CB LYS 76 13.417 -36.673 15.077 1.00 52.33 ATOM 1259 HB1 LYS 76 13.162 -35.770 15.621 1.00 37.96 ATOM 1260 HB2 LYS 76 12.521 -37.066 14.618 1.00 51.14 ATOM 1261 CG LYS 76 14.386 -36.294 13.971 1.00 43.44 ATOM 1262 HG1 LYS 76 13.899 -35.583 13.338 1.00 37.96 ATOM 1263 HG2 LYS 76 14.648 -37.169 13.407 1.00 3.34 ATOM 1264 CD LYS 76 15.657 -35.675 14.530 1.00 35.31 ATOM 1265 HD1 LYS 76 16.357 -36.464 14.725 1.00 37.96 ATOM 1266 HD2 LYS 76 15.456 -35.158 15.450 1.00 20.32 ATOM 1267 CE LYS 76 16.293 -34.715 13.537 1.00 0.23 ATOM 1268 HE1 LYS 76 15.616 -33.901 13.340 1.00 37.96 ATOM 1269 HE2 LYS 76 16.485 -35.247 12.615 1.00 62.24 ATOM 1270 NZ LYS 76 17.584 -34.170 14.042 1.00 71.31 ATOM 1271 HZ1 LYS 76 18.208 -34.945 14.356 1.00 62.45 ATOM 1272 HZ2 LYS 76 17.425 -33.528 14.840 1.00 61.10 ATOM 1273 HZ3 LYS 76 18.066 -33.651 13.285 1.00 2.33 ATOM 1274 C LYS 76 13.145 -37.726 17.329 1.00 24.21 ATOM 1275 O LYS 76 13.341 -36.892 18.212 1.00 55.43 ATOM 1276 N GLY 77 12.221 -38.677 17.425 1.00 61.43 ATOM 1277 HN GLY 77 12.125 -39.341 16.719 1.00 37.96 ATOM 1278 CA GLY 77 11.379 -38.778 18.602 1.00 3.05 ATOM 1279 HA1 GLY 77 11.464 -37.892 19.210 1.00 37.96 ATOM 1280 HA2 GLY 77 11.709 -39.624 19.185 1.00 13.42 ATOM 1281 C GLY 77 9.918 -38.980 18.255 1.00 53.21 ATOM 1282 O GLY 77 9.079 -39.141 19.140 1.00 75.31 ATOM 1283 N GLY 78 9.612 -38.969 16.961 1.00 35.10 ATOM 1284 HN GLY 78 10.294 -38.814 16.280 1.00 37.96 ATOM 1285 CA GLY 78 8.241 -39.152 16.522 1.00 55.54 ATOM 1286 HA1 GLY 78 7.600 -39.413 17.355 1.00 37.96 ATOM 1287 HA2 GLY 78 8.219 -39.964 15.811 1.00 50.42 ATOM 1288 C GLY 78 7.678 -37.915 15.849 1.00 13.15 ATOM 1289 O GLY 78 8.264 -36.834 15.930 1.00 74.44 ATOM 1290 N LEU 79 6.539 -38.072 15.183 1.00 21.15 ATOM 1291 HN LEU 79 6.118 -38.965 15.153 1.00 37.96 ATOM 1292 CA LEU 79 5.897 -36.959 14.493 1.00 60.25 ATOM 1293 HA LEU 79 6.553 -36.624 13.711 1.00 61.24 ATOM 1294 CB LEU 79 4.573 -37.412 13.875 1.00 31.31 ATOM 1295 HB1 LEU 79 3.969 -37.844 14.661 1.00 37.96 ATOM 1296 HB2 LEU 79 4.799 -38.184 13.163 1.00 33.23 ATOM 1297 CG LEU 79 3.749 -36.326 13.182 1.00 30.33 ATOM 1298 HG LEU 79 3.405 -35.630 13.919 1.00 32.21 ATOM 1299 CD1 LEU 79 4.599 -35.576 12.169 1.00 62.34 ATOM 1300 HD11 LEU 79 5.310 -34.955 12.694 1.00 12.51 ATOM 1301 HD12 LEU 79 3.972 -34.947 11.551 1.00 44.22 ATOM 1302 HD13 LEU 79 5.134 -36.272 11.544 1.00 10.22 ATOM 1303 CD2 LEU 79 2.525 -36.932 12.511 1.00 63.24 ATOM 1304 HD21 LEU 79 1.991 -36.163 11.967 1.00 22.41 ATOM 1305 HD22 LEU 79 1.872 -37.336 13.270 1.00 2.14 ATOM 1306 HD23 LEU 79 2.796 -37.707 11.848 1.00 41.34 ATOM 1307 C LEU 79 5.654 -35.794 15.446 1.00 42.51 ATOM 1308 O LEU 79 6.062 -34.663 15.178 1.00 74.23 ATOM 1309 N VAL 80 4.989 -36.077 16.562 1.00 45.24 ATOM 1310 HN VAL 80 4.729 -37.010 16.728 1.00 37.96 ATOM 1311 CA VAL 80 4.695 -35.053 17.557 1.00 2.01 ATOM 1312 HA VAL 80 4.046 -34.320 17.104 1.00 5.00 ATOM 1313 CB VAL 80 3.971 -35.649 18.779 1.00 71.45 ATOM 1314 HB VAL 80 4.652 -36.311 19.299 1.00 61.43 ATOM 1315 CG1 VAL 80 3.552 -34.549 19.741 1.00 54.31 ATOM 1316 HG11 VAL 80 3.435 -33.626 19.210 1.00 73.33 ATOM 1317 HG12 VAL 80 4.319 -34.432 20.490 1.00 23.23 ATOM 1318 HG13 VAL 80 2.621 -34.802 20.230 1.00 41.34 ATOM 1319 CG2 VAL 80 2.768 -36.469 18.336 1.00 20.02 ATOM 1320 HG21 VAL 80 3.098 -37.352 17.816 1.00 43.12 ATOM 1321 HG22 VAL 80 2.172 -35.883 17.680 1.00 73.25 ATOM 1322 HG23 VAL 80 2.182 -36.763 19.189 1.00 32.41 ATOM 1323 C VAL 80 5.969 -34.359 18.025 1.00 45.24 ATOM 1324 O VAL 80 6.053 -33.131 18.030 1.00 75.13 ATOM 1325 N GLU 81 6.960 -35.154 18.416 1.00 4.34 ATOM 1326 HN GLU 81 6.832 -36.133 18.392 1.00 37.96 ATOM 1327 CA GLU 81 8.231 -34.615 18.886 1.00 1.53 ATOM 1328 HA GLU 81 8.037 -34.059 19.794 1.00 45.21 ATOM 1329 CB GLU 81 9.211 -35.750 19.191 1.00 14.33 ATOM 1330 HB1 GLU 81 9.587 -36.156 18.260 1.00 37.96 ATOM 1331 HB2 GLU 81 8.680 -36.537 19.712 1.00 1.32 ATOM 1332 CG GLU 81 10.401 -35.318 20.031 1.00 13.54 ATOM 1333 HG1 GLU 81 10.615 -34.280 19.848 1.00 37.96 ATOM 1334 HG2 GLU 81 11.257 -35.905 19.747 1.00 13.24 ATOM 1335 CD GLU 81 10.165 -35.506 21.517 1.00 12.34 ATOM 1336 OE1 GLU 81 10.118 -34.492 22.244 1.00 13.44 ATOM 1337 OE2 GLU 81 10.027 -36.668 21.953 1.00 20.11 ATOM 1338 C GLU 81 8.837 -33.669 17.852 1.00 33.54 ATOM 1339 O GLU 81 9.403 -32.633 18.199 1.00 54.42 ATOM 1340 N VAL 82 8.714 -34.036 16.581 1.00 72.05 ATOM 1341 HN VAL 82 8.260 -34.883 16.359 1.00 37.96 ATOM 1342 CA VAL 82 9.248 -33.222 15.495 1.00 11.13 ATOM 1343 HA VAL 82 10.270 -32.984 15.732 1.00 31.15 ATOM 1344 CB VAL 82 9.219 -33.983 14.156 1.00 4.24 ATOM 1345 HB VAL 82 8.207 -34.314 13.973 1.00 42.14 ATOM 1346 CG1 VAL 82 9.634 -33.069 13.014 1.00 43.34 ATOM 1347 HG11 VAL 82 9.185 -33.447 12.107 1.00 70.41 ATOM 1348 HG12 VAL 82 10.698 -33.085 12.884 1.00 31.34 ATOM 1349 HG13 VAL 82 9.309 -32.057 13.151 1.00 35.23 ATOM 1350 CG2 VAL 82 10.117 -35.209 14.222 1.00 60.21 ATOM 1351 HG21 VAL 82 10.060 -35.747 13.290 1.00 44.14 ATOM 1352 HG22 VAL 82 9.814 -35.846 15.023 1.00 4.10 ATOM 1353 HG23 VAL 82 11.138 -34.903 14.387 1.00 70.41 ATOM 1354 C VAL 82 8.464 -31.923 15.346 1.00 42.22 ATOM 1355 O VAL 82 9.039 -30.866 15.085 1.00 4.30 ATOM 1356 N ILE 83 7.149 -32.009 15.513 1.00 31.21 ATOM 1357 HN ILE 83 6.739 -32.883 15.715 1.00 37.96 ATOM 1358 CA ILE 83 6.286 -30.840 15.398 1.00 3.13 ATOM 1359 HA ILE 83 6.499 -30.351 14.453 1.00 62.14 ATOM 1360 CB ILE 83 4.798 -31.235 15.411 1.00 12.02 ATOM 1361 HB ILE 83 4.595 -31.743 16.346 1.00 21.40 ATOM 1362 CG1 ILE 83 4.486 -32.173 14.243 1.00 4.21 ATOM 1363 HG11 ILE 83 5.333 -32.803 14.033 1.00 37.96 ATOM 1364 HG12 ILE 83 4.277 -31.599 13.362 1.00 11.20 ATOM 1365 CG2 ILE 83 3.920 -29.994 15.350 1.00 51.02 ATOM 1366 HG21 ILE 83 4.245 -29.351 14.542 1.00 2.42 ATOM 1367 HG22 ILE 83 3.977 -29.456 16.284 1.00 51.33 ATOM 1368 HG23 ILE 83 2.891 -30.283 15.180 1.00 51.24 ATOM 1369 CD1 ILE 83 3.307 -33.085 14.498 1.00 14.51 ATOM 1370 HD11 ILE 83 3.599 -33.867 15.175 1.00 35.14 ATOM 1371 HD12 ILE 83 2.985 -33.521 13.565 1.00 23.53 ATOM 1372 HD13 ILE 83 2.490 -32.521 14.928 1.00 52.53 ATOM 1373 C ILE 83 6.548 -29.851 16.529 1.00 50.30 ATOM 1374 O ILE 83 6.447 -28.639 16.343 1.00 41.14 ATOM 1375 N ASN 84 6.886 -30.377 17.702 1.00 44.34 ATOM 1376 HN ASN 84 6.949 -31.356 17.801 1.00 37.96 ATOM 1377 CA ASN 84 7.164 -29.540 18.863 1.00 4.31 ATOM 1378 HA ASN 84 6.495 -28.686 18.843 1.00 50.32 ATOM 1379 CB ASN 84 6.919 -30.324 20.154 1.00 74.14 ATOM 1380 HB1 ASN 84 7.181 -29.705 21.004 1.00 37.96 ATOM 1381 HB2 ASN 84 7.545 -31.205 20.154 1.00 2.42 ATOM 1382 CG ASN 84 5.470 -30.746 20.307 1.00 10.40 ATOM 1383 OD1 ASN 84 4.556 -29.937 20.145 1.00 1.44 ATOM 1384 ND2 ASN 84 5.254 -32.018 20.621 1.00 42.32 ATOM 1385 HD21 ASN 84 6.018 -32.628 20.730 1.00 34.13 ATOM 1386 HD22 ASN 84 4.328 -32.287 20.763 1.00 20.35 ATOM 1387 C ASN 84 8.601 -29.026 18.833 1.00 72.45 ATOM 1388 O ASN 84 8.866 -27.869 19.158 1.00 34.05 ATOM 1389 N LYS 85 9.525 -29.895 18.438 1.00 24.31 ATOM 1390 HN LYS 85 9.258 -30.811 18.194 1.00 37.96 ATOM 1391 CA LYS 85 10.935 -29.531 18.362 1.00 23.32 ATOM 1392 HA LYS 85 11.215 -29.054 19.295 1.00 74.44 ATOM 1393 CB LYS 85 11.796 -30.781 18.163 1.00 52.05 ATOM 1394 HB1 LYS 85 12.764 -30.490 17.780 1.00 37.96 ATOM 1395 HB2 LYS 85 11.316 -31.406 17.427 1.00 44.23 ATOM 1396 CG LYS 85 11.974 -31.605 19.426 1.00 4.31 ATOM 1397 HG1 LYS 85 11.415 -32.512 19.326 1.00 37.96 ATOM 1398 HG2 LYS 85 11.612 -31.057 20.287 1.00 3.51 ATOM 1399 CD LYS 85 13.432 -31.968 19.653 1.00 22.14 ATOM 1400 HD1 LYS 85 13.814 -32.477 18.778 1.00 37.96 ATOM 1401 HD2 LYS 85 13.495 -32.626 20.508 1.00 23.14 ATOM 1402 CE LYS 85 14.280 -30.733 19.919 1.00 35.21 ATOM 1403 HE1 LYS 85 13.722 -30.035 20.532 1.00 37.96 ATOM 1404 HE2 LYS 85 14.523 -30.267 18.977 1.00 2.30 ATOM 1405 NZ LYS 85 15.548 -31.072 20.623 1.00 54.52 ATOM 1406 HZ1 LYS 85 16.103 -30.208 20.789 1.00 70.32 ATOM 1407 HZ2 LYS 85 16.117 -31.728 20.049 1.00 44.54 ATOM 1408 HZ3 LYS 85 15.344 -31.519 21.541 1.00 54.33 ATOM 1409 C LYS 85 11.182 -28.544 17.226 1.00 61.33 ATOM 1410 O LYS 85 12.223 -27.889 17.173 1.00 23.42 ATOM 1411 N LYS 86 10.217 -28.441 16.318 1.00 64.32 ATOM 1412 HN LYS 86 9.426 -29.013 16.358 1.00 37.96 ATOM 1413 CA LYS 86 10.328 -27.532 15.183 1.00 31.32 ATOM 1414 HA LYS 86 9.512 -27.743 14.508 1.00 14.41 ATOM 1415 CB LYS 86 10.221 -26.080 15.654 1.00 20.24 ATOM 1416 HB1 LYS 86 10.261 -25.422 14.795 1.00 37.96 ATOM 1417 HB2 LYS 86 11.067 -25.862 16.295 1.00 74.42 ATOM 1418 CG LYS 86 8.958 -25.789 16.446 1.00 32.00 ATOM 1419 HG1 LYS 86 9.157 -24.942 17.090 1.00 37.96 ATOM 1420 HG2 LYS 86 8.694 -26.641 17.054 1.00 35.34 ATOM 1421 CD LYS 86 7.790 -25.461 15.531 1.00 12.43 ATOM 1422 HD1 LYS 86 7.264 -26.374 15.295 1.00 37.96 ATOM 1423 HD2 LYS 86 8.152 -25.010 14.625 1.00 43.45 ATOM 1424 CE LYS 86 6.820 -24.493 16.192 1.00 74.23 ATOM 1425 HE1 LYS 86 6.004 -24.293 15.519 1.00 37.96 ATOM 1426 HE2 LYS 86 7.342 -23.569 16.397 1.00 12.31 ATOM 1427 NZ LYS 86 6.284 -25.032 17.472 1.00 21.44 ATOM 1428 HZ1 LYS 86 6.878 -24.710 18.262 1.00 22.42 ATOM 1429 HZ2 LYS 86 6.279 -26.070 17.471 1.00 43.10 ATOM 1430 HZ3 LYS 86 5.317 -24.686 17.627 1.00 22.11 ATOM 1431 C LYS 86 11.646 -27.742 14.444 1.00 35.20 ATOM 1432 O LYS 86 12.189 -26.812 13.847 1.00 61.24 ATOM 1433 N LEU 87 12.154 -28.969 14.487 1.00 54.10 ATOM 1434 HN LEU 87 11.655 -29.674 14.927 1.00 37.96 ATOM 1435 CA LEU 87 13.407 -29.301 13.820 1.00 65.54 ATOM 1436 HA LEU 87 14.006 -28.403 13.726 1.00 73.42 ATOM 1437 CB LEU 87 14.195 -30.318 14.648 1.00 2.32 ATOM 1438 HB1 LEU 87 14.050 -30.084 15.696 1.00 37.96 ATOM 1439 HB2 LEU 87 15.243 -30.191 14.416 1.00 14.50 ATOM 1440 CG LEU 87 13.837 -31.787 14.425 1.00 63.51 ATOM 1441 HG LEU 87 14.158 -32.102 13.448 1.00 21.40 ATOM 1442 CD1 LEU 87 14.562 -32.672 15.428 1.00 41.32 ATOM 1443 HD11 LEU 87 14.176 -33.672 15.364 1.00 42.41 ATOM 1444 HD12 LEU 87 14.401 -32.296 16.431 1.00 21.44 ATOM 1445 HD13 LEU 87 15.613 -32.671 15.212 1.00 41.22 ATOM 1446 CD2 LEU 87 12.332 -31.991 14.522 1.00 43.41 ATOM 1447 HD21 LEU 87 11.820 -31.473 13.735 1.00 51.54 ATOM 1448 HD22 LEU 87 11.981 -31.635 15.474 1.00 71.43 ATOM 1449 HD23 LEU 87 12.116 -33.044 14.446 1.00 13.42 ATOM 1450 C LEU 87 13.150 -29.857 12.423 1.00 61.53 ATOM 1451 O LEU 87 13.993 -30.553 11.856 1.00 41.42 ATOM 1452 N TRP 88 11.982 -29.545 11.874 1.00 40.15 ATOM 1453 HN TRP 88 11.339 -28.995 12.355 1.00 37.96 ATOM 1454 CA TRP 88 11.615 -30.012 10.541 1.00 13.24 ATOM 1455 HA TRP 88 11.420 -31.074 10.606 1.00 44.54 ATOM 1456 CB TRP 88 10.359 -29.288 10.053 1.00 42.50 ATOM 1457 HB1 TRP 88 10.366 -29.230 8.970 1.00 37.96 ATOM 1458 HB2 TRP 88 10.347 -28.283 10.454 1.00 4.03 ATOM 1459 CG TRP 88 9.086 -29.971 10.452 1.00 2.42 ATOM 1460 CD1 TRP 88 8.104 -29.468 11.258 1.00 63.34 ATOM 1461 HD1 TRP 88 8.133 -28.490 11.716 1.00 3.21 ATOM 1462 CD2 TRP 88 8.659 -31.281 10.066 1.00 64.43 ATOM 1463 NE1 TRP 88 7.093 -30.388 11.395 1.00 33.01 ATOM 1464 HE1 TRP 88 6.277 -30.262 11.923 1.00 34.03 ATOM 1465 CE2 TRP 88 7.409 -31.508 10.673 1.00 72.30 ATOM 1466 CE3 TRP 88 9.211 -32.285 9.264 1.00 13.42 ATOM 1467 HE3 TRP 88 10.162 -32.148 8.780 1.00 42.33 ATOM 1468 CZ2 TRP 88 6.704 -32.697 10.504 1.00 61.05 ATOM 1469 HZ2 TRP 88 5.745 -32.865 10.972 1.00 11.34 ATOM 1470 CZ3 TRP 88 8.510 -33.464 9.097 1.00 22.03 ATOM 1471 HZ3 TRP 88 8.917 -34.248 8.481 1.00 72.02 ATOM 1472 CH2 TRP 88 7.268 -33.662 9.714 1.00 75.13 ATOM 1473 HH2 TRP 88 6.756 -34.600 9.556 1.00 51.13 ATOM 1474 C TRP 88 12.757 -29.796 9.555 1.00 61.31 ATOM 1475 O TRP 88 12.912 -30.552 8.596 1.00 72.33 ATOM 1476 N ARG 89 13.555 -28.761 9.797 1.00 72.23 ATOM 1477 HN ARG 89 13.356 -28.169 10.550 1.00 37.96 ATOM 1478 CA ARG 89 14.683 -28.447 8.928 1.00 13.41 ATOM 1479 HA ARG 89 14.290 -28.138 7.972 1.00 72.31 ATOM 1480 CB ARG 89 15.505 -27.300 9.519 1.00 14.22 ATOM 1481 HB1 ARG 89 16.177 -26.936 8.755 1.00 37.96 ATOM 1482 HB2 ARG 89 16.091 -27.676 10.351 1.00 5.40 ATOM 1483 CG ARG 89 14.659 -26.148 10.036 1.00 12.51 ATOM 1484 HG1 ARG 89 14.651 -26.167 11.115 1.00 37.96 ATOM 1485 HG2 ARG 89 13.658 -26.248 9.659 1.00 52.44 ATOM 1486 CD ARG 89 15.197 -24.806 9.564 1.00 52.10 ATOM 1487 HD1 ARG 89 14.500 -24.035 9.861 1.00 37.96 ATOM 1488 HD2 ARG 89 15.279 -24.816 8.485 1.00 61.22 ATOM 1489 NE ARG 89 16.506 -24.508 10.139 1.00 61.34 ATOM 1490 HE ARG 89 16.921 -25.188 10.719 1.00 72.52 ATOM 1491 CZ ARG 89 17.164 -23.375 9.921 1.00 70.14 ATOM 1492 NH1 ARG 89 16.637 -22.437 9.145 1.00 22.52 ATOM 1493 HH11 ARG 89 15.745 -22.561 8.713 1.00 43.02 ATOM 1494 HH12 ARG 89 17.140 -21.585 8.986 1.00 41.54 ATOM 1495 NH2 ARG 89 18.351 -23.178 10.479 1.00 3.22 ATOM 1496 HH21 ARG 89 18.755 -23.883 11.066 1.00 75.35 ATOM 1497 HH22 ARG 89 18.849 -22.324 10.316 1.00 14.04 ATOM 1498 C ARG 89 15.570 -29.671 8.725 1.00 44.11 ATOM 1499 O ARG 89 16.012 -29.950 7.611 1.00 24.31 ATOM 1500 N GLU 90 15.827 -30.396 9.809 1.00 20.12 ATOM 1501 HN GLU 90 15.450 -30.121 10.678 1.00 37.96 ATOM 1502 CA GLU 90 16.663 -31.589 9.749 1.00 22.21 ATOM 1503 HA GLU 90 17.610 -31.317 9.304 1.00 33.12 ATOM 1504 CB GLU 90 16.908 -32.139 11.156 1.00 44.41 ATOM 1505 HB1 GLU 90 17.493 -33.047 11.086 1.00 37.96 ATOM 1506 HB2 GLU 90 15.956 -32.369 11.613 1.00 3.14 ATOM 1507 CG GLU 90 17.648 -31.172 12.066 1.00 34.43 ATOM 1508 HG1 GLU 90 17.815 -31.641 13.020 1.00 37.96 ATOM 1509 HG2 GLU 90 17.034 -30.294 12.206 1.00 62.44 ATOM 1510 CD GLU 90 18.984 -30.740 11.495 1.00 0.44 ATOM 1511 OE1 GLU 90 19.183 -29.521 11.307 1.00 72.30 ATOM 1512 OE2 GLU 90 19.831 -31.620 11.237 1.00 24.14 ATOM 1513 C GLU 90 16.018 -32.663 8.877 1.00 14.44 ATOM 1514 O GLU 90 16.687 -33.306 8.069 1.00 45.12 ATOM 1515 N ILE 91 14.713 -32.850 9.049 1.00 64.03 ATOM 1516 HN ILE 91 14.232 -32.278 9.685 1.00 37.96 ATOM 1517 CA ILE 91 13.977 -33.844 8.278 1.00 64.40 ATOM 1518 HA ILE 91 14.426 -34.812 8.465 1.00 44.54 ATOM 1519 CB ILE 91 12.497 -33.899 8.698 1.00 74.11 ATOM 1520 HB ILE 91 12.019 -32.985 8.382 1.00 11.44 ATOM 1521 CG1 ILE 91 12.379 -34.019 10.219 1.00 64.22 ATOM 1522 HG11 ILE 91 11.337 -34.132 10.487 1.00 37.96 ATOM 1523 HG12 ILE 91 12.758 -33.127 10.687 1.00 70.13 ATOM 1524 CG2 ILE 91 11.795 -35.062 8.014 1.00 74.44 ATOM 1525 HG21 ILE 91 12.366 -35.971 8.150 1.00 22.32 ATOM 1526 HG22 ILE 91 11.697 -34.856 6.959 1.00 44.31 ATOM 1527 HG23 ILE 91 10.811 -35.197 8.437 1.00 45.04 ATOM 1528 CD1 ILE 91 13.129 -35.202 10.791 1.00 1.21 ATOM 1529 HD11 ILE 91 12.862 -35.305 11.825 1.00 31.43 ATOM 1530 HD12 ILE 91 14.193 -35.044 10.707 1.00 45.12 ATOM 1531 HD13 ILE 91 12.851 -36.099 10.268 1.00 53.13 ATOM 1532 C ILE 91 14.060 -33.553 6.783 1.00 11.15 ATOM 1533 O ILE 91 14.236 -34.461 5.971 1.00 60.24 ATOM 1534 N THR 92 13.933 -32.278 6.427 1.00 61.53 ATOM 1535 HN THR 92 13.787 -31.591 7.119 1.00 37.96 ATOM 1536 CA THR 92 13.994 -31.866 5.030 1.00 31.12 ATOM 1537 HA THR 92 13.327 -32.504 4.462 1.00 52.15 ATOM 1538 CB THR 92 13.560 -30.398 4.858 1.00 22.15 ATOM 1539 HB THR 92 14.232 -29.894 4.172 1.00 62.42 ATOM 1540 OG1 THR 92 13.606 -29.723 6.120 1.00 4.14 ATOM 1541 HG1 THR 92 13.692 -28.777 5.976 1.00 71.03 ATOM 1542 CG2 THR 92 12.155 -30.313 4.283 1.00 14.20 ATOM 1543 HG21 THR 92 11.627 -31.239 4.421 1.00 45.34 ATOM 1544 HG22 THR 92 12.222 -30.103 3.226 1.00 4.23 ATOM 1545 HG23 THR 92 11.619 -29.512 4.766 1.00 15.43 ATOM 1546 C THR 92 15.400 -32.038 4.467 1.00 51.12 ATOM 1547 O THR 92 15.583 -32.594 3.384 1.00 54.35 ATOM 1548 N LYS 93 16.392 -31.558 5.209 1.00 62.11 ATOM 1549 HN LYS 93 16.183 -31.118 6.068 1.00 37.96 ATOM 1550 CA LYS 93 17.784 -31.660 4.785 1.00 34.10 ATOM 1551 HA LYS 93 17.875 -31.158 3.829 1.00 53.31 ATOM 1552 CB LYS 93 18.700 -30.979 5.804 1.00 51.31 ATOM 1553 HB1 LYS 93 18.995 -31.697 6.560 1.00 37.96 ATOM 1554 HB2 LYS 93 18.154 -30.183 6.296 1.00 64.42 ATOM 1555 CG LYS 93 19.965 -30.401 5.193 1.00 12.54 ATOM 1556 HG1 LYS 93 20.297 -31.032 4.378 1.00 37.96 ATOM 1557 HG2 LYS 93 20.728 -30.383 5.960 1.00 61.34 ATOM 1558 CD LYS 93 19.737 -28.993 4.668 1.00 5.12 ATOM 1559 HD1 LYS 93 18.956 -28.504 5.238 1.00 37.96 ATOM 1560 HD2 LYS 93 19.436 -29.057 3.633 1.00 0.50 ATOM 1561 CE LYS 93 21.000 -28.151 4.766 1.00 3.20 ATOM 1562 HE1 LYS 93 21.873 -28.792 4.725 1.00 37.96 ATOM 1563 HE2 LYS 93 20.991 -27.623 5.707 1.00 41.42 ATOM 1564 NZ LYS 93 21.091 -27.157 3.661 1.00 42.21 ATOM 1565 HZ1 LYS 93 21.963 -26.599 3.758 1.00 5.44 ATOM 1566 HZ2 LYS 93 20.277 -26.509 3.688 1.00 73.35 ATOM 1567 HZ3 LYS 93 21.105 -27.641 2.739 1.00 23.33 ATOM 1568 C LYS 93 18.194 -33.119 4.612 1.00 2.10 ATOM 1569 O LYS 93 18.999 -33.448 3.742 1.00 61.31 ATOM 1570 N GLY 94 17.634 -33.990 5.446 1.00 1.23 ATOM 1571 HN GLY 94 17.009 -33.686 6.140 1.00 37.96 ATOM 1572 CA GLY 94 17.954 -35.403 5.368 1.00 73.23 ATOM 1573 HA1 GLY 94 17.341 -35.938 6.078 1.00 37.96 ATOM 1574 HA2 GLY 94 18.994 -35.544 5.629 1.00 31.14 ATOM 1575 C GLY 94 17.712 -35.976 3.985 1.00 33.34 ATOM 1576 O GLY 94 18.461 -36.837 3.522 1.00 32.42 ATOM 1577 N LEU 95 16.662 -35.500 3.325 1.00 61.12 ATOM 1578 HN LEU 95 16.128 -34.774 3.720 1.00 37.96 ATOM 1579 CA LEU 95 16.322 -35.972 1.987 1.00 52.10 ATOM 1580 HA LEU 95 16.740 -36.961 1.843 1.00 32.04 ATOM 1581 CB LEU 95 14.803 -36.067 1.829 1.00 22.14 ATOM 1582 HB1 LEU 95 14.594 -36.894 1.163 1.00 37.96 ATOM 1583 HB2 LEU 95 14.441 -35.168 1.361 1.00 3.32 ATOM 1584 CG LEU 95 14.007 -36.284 3.117 1.00 61.12 ATOM 1585 HG LEU 95 14.221 -35.494 3.811 1.00 62.04 ATOM 1586 CD1 LEU 95 12.513 -36.240 2.835 1.00 44.14 ATOM 1587 HD11 LEU 95 12.037 -35.605 3.565 1.00 35.55 ATOM 1588 HD12 LEU 95 12.083 -37.232 2.896 1.00 72.33 ATOM 1589 HD13 LEU 95 12.326 -35.841 1.849 1.00 42.52 ATOM 1590 CD2 LEU 95 14.391 -37.607 3.764 1.00 15.35 ATOM 1591 HD21 LEU 95 14.441 -38.367 3.004 1.00 71.21 ATOM 1592 HD22 LEU 95 13.659 -37.888 4.511 1.00 11.12 ATOM 1593 HD23 LEU 95 15.357 -37.510 4.234 1.00 64.30 ATOM 1594 C LEU 95 16.898 -35.046 0.920 1.00 21.42 ATOM 1595 O LEU 95 16.535 -35.133 -0.252 1.00 1.40 ATOM 1596 N ASN 96 17.800 -34.163 1.335 1.00 11.33 ATOM 1597 HN ASN 96 18.082 -34.135 2.254 1.00 37.96 ATOM 1598 CA ASN 96 18.428 -33.222 0.415 1.00 62.02 ATOM 1599 HA ASN 96 19.135 -32.644 0.987 1.00 32.41 ATOM 1600 CB ASN 96 19.148 -33.976 -0.705 1.00 41.11 ATOM 1601 HB1 ASN 96 18.450 -34.250 -1.486 1.00 37.96 ATOM 1602 HB2 ASN 96 19.586 -34.877 -0.298 1.00 4.10 ATOM 1603 CG ASN 96 20.266 -33.160 -1.326 1.00 32.13 ATOM 1604 OD1 ASN 96 20.296 -32.950 -2.538 1.00 64.14 ATOM 1605 ND2 ASN 96 21.191 -32.696 -0.494 1.00 63.12 ATOM 1606 HD21 ASN 96 21.127 -32.897 0.465 1.00 53.02 ATOM 1607 HD22 ASN 96 21.916 -32.160 -0.878 1.00 11.04 ATOM 1608 C ASN 96 17.395 -32.270 -0.180 1.00 74.51 ATOM 1609 O ASN 96 17.360 -32.053 -1.392 1.00 74.21 ATOM 1610 N LEU 97 16.555 -31.705 0.680 1.00 31.21 ATOM 1611 HN LEU 97 16.638 -31.899 1.643 1.00 37.96 ATOM 1612 CA LEU 97 15.520 -30.776 0.241 1.00 41.34 ATOM 1613 HA LEU 97 15.402 -30.884 -0.828 1.00 63.42 ATOM 1614 CB LEU 97 14.186 -31.115 0.907 1.00 13.11 ATOM 1615 HB1 LEU 97 13.413 -30.533 0.433 1.00 37.96 ATOM 1616 HB2 LEU 97 14.241 -30.820 1.949 1.00 74.13 ATOM 1617 CG LEU 97 13.770 -32.586 0.866 1.00 13.31 ATOM 1618 HG LEU 97 14.456 -33.159 1.457 1.00 25.22 ATOM 1619 CD1 LEU 97 12.378 -32.763 1.452 1.00 33.32 ATOM 1620 HD11 LEU 97 12.097 -33.803 1.416 1.00 42.52 ATOM 1621 HD12 LEU 97 11.667 -32.183 0.882 1.00 75.53 ATOM 1622 HD13 LEU 97 12.372 -32.427 2.479 1.00 73.11 ATOM 1623 CD2 LEU 97 13.821 -33.115 -0.560 1.00 25.03 ATOM 1624 HD21 LEU 97 13.476 -34.140 -0.579 1.00 53.43 ATOM 1625 HD22 LEU 97 14.835 -33.080 -0.928 1.00 53.13 ATOM 1626 HD23 LEU 97 13.186 -32.514 -1.196 1.00 74.22 ATOM 1627 C LEU 97 15.910 -29.336 0.560 1.00 32.04 ATOM 1628 O LEU 97 16.662 -29.064 1.496 1.00 10.13 ATOM 1629 N PRO 98 15.385 -28.390 -0.233 1.00 61.52 ATOM 1630 CA PRO 98 15.662 -26.962 -0.052 1.00 71.35 ATOM 1631 HA PRO 98 16.727 -26.770 -0.039 1.00 5.24 ATOM 1632 CB PRO 98 15.047 -26.321 -1.299 1.00 64.43 ATOM 1633 HB1 PRO 98 15.806 -26.223 -2.060 1.00 37.96 ATOM 1634 HB2 PRO 98 14.640 -25.343 -1.070 1.00 23.10 ATOM 1635 CG PRO 98 13.982 -27.271 -1.727 1.00 52.51 ATOM 1636 HG1 PRO 98 13.836 -27.198 -2.794 1.00 37.96 ATOM 1637 HG2 PRO 98 13.079 -27.058 -1.218 1.00 51.02 ATOM 1638 CD PRO 98 14.481 -28.643 -1.368 1.00 12.34 ATOM 1639 HD1 PRO 98 15.017 -29.079 -2.198 1.00 37.96 ATOM 1640 HD2 PRO 98 13.657 -29.269 -1.082 1.00 12.32 ATOM 1641 C PRO 98 15.014 -26.401 1.209 1.00 64.40 ATOM 1642 O PRO 98 13.827 -26.612 1.457 1.00 75.15 ATOM 1643 N THR 99 15.802 -25.685 2.005 1.00 64.11 ATOM 1644 HN THR 99 16.735 -25.548 1.740 1.00 37.96 ATOM 1645 CA THR 99 15.306 -25.094 3.241 1.00 30.32 ATOM 1646 HA THR 99 14.606 -25.784 3.699 1.00 4.13 ATOM 1647 CB THR 99 16.449 -24.847 4.244 1.00 34.12 ATOM 1648 HB THR 99 16.864 -25.802 4.535 1.00 60.31 ATOM 1649 OG1 THR 99 15.944 -24.180 5.407 1.00 64.52 ATOM 1650 HG1 THR 99 16.514 -24.364 6.158 1.00 61.22 ATOM 1651 CG2 THR 99 17.552 -24.011 3.613 1.00 73.34 ATOM 1652 HG21 THR 99 18.075 -24.594 2.873 1.00 12.41 ATOM 1653 HG22 THR 99 18.250 -23.714 4.382 1.00 5.15 ATOM 1654 HG23 THR 99 17.142 -23.124 3.152 1.00 33.44 ATOM 1655 C THR 99 14.588 -23.777 2.972 1.00 50.14 ATOM 1656 O THR 99 14.115 -23.116 3.896 1.00 31.22 ATOM 1657 N SER 100 14.510 -23.401 1.699 1.00 15.31 ATOM 1658 HN SER 100 14.916 -23.939 0.994 1.00 37.96 ATOM 1659 CA SER 100 13.851 -22.160 1.308 1.00 2.41 ATOM 1660 HA SER 100 14.064 -21.405 2.056 1.00 1.40 ATOM 1661 CB SER 100 14.391 -21.674 -0.039 1.00 13.25 ATOM 1662 HB1 SER 100 13.858 -22.149 -0.853 1.00 37.96 ATOM 1663 HB2 SER 100 15.441 -21.920 -0.113 1.00 3.14 ATOM 1664 OG SER 100 14.258 -20.269 -0.164 1.00 53.52 ATOM 1665 HG SER 100 14.558 -19.995 -1.034 1.00 34.24 ATOM 1666 C SER 100 12.340 -22.349 1.225 1.00 73.43 ATOM 1667 O SER 100 11.582 -21.379 1.198 1.00 21.04 ATOM 1668 N ILE 101 11.909 -23.606 1.183 1.00 11.44 ATOM 1669 HN ILE 101 12.555 -24.339 1.221 1.00 37.96 ATOM 1670 CA ILE 101 10.489 -23.923 1.104 1.00 34.41 ATOM 1671 HA ILE 101 10.134 -23.591 0.134 1.00 5.23 ATOM 1672 CB ILE 101 10.244 -25.440 1.212 1.00 62.22 ATOM 1673 HB ILE 101 10.612 -25.771 2.163 1.00 62.34 ATOM 1674 CG1 ILE 101 11.008 -26.181 0.112 1.00 33.22 ATOM 1675 HG11 ILE 101 12.029 -25.852 0.087 1.00 37.96 ATOM 1676 HG12 ILE 101 10.553 -25.968 -0.846 1.00 32.35 ATOM 1677 CG2 ILE 101 8.756 -25.744 1.128 1.00 71.22 ATOM 1678 HG21 ILE 101 8.351 -25.331 0.214 1.00 4.22 ATOM 1679 HG22 ILE 101 8.242 -25.315 1.973 1.00 45.53 ATOM 1680 HG23 ILE 101 8.594 -26.812 1.134 1.00 14.51 ATOM 1681 CD1 ILE 101 11.019 -27.683 0.292 1.00 64.23 ATOM 1682 HD11 ILE 101 12.031 -28.013 0.477 1.00 72.41 ATOM 1683 HD12 ILE 101 10.656 -28.149 -0.610 1.00 42.33 ATOM 1684 HD13 ILE 101 10.392 -27.979 1.123 1.00 5.23 ATOM 1685 C ILE 101 9.704 -23.214 2.203 1.00 64.21 ATOM 1686 O ILE 101 9.927 -23.449 3.391 1.00 32.32 ATOM 1687 N THR 102 8.783 -22.345 1.798 1.00 22.13 ATOM 1688 HN THR 102 8.649 -22.196 0.832 1.00 37.96 ATOM 1689 CA THR 102 7.965 -21.602 2.748 1.00 53.43 ATOM 1690 HA THR 102 8.617 -20.954 3.318 1.00 55.11 ATOM 1691 CB THR 102 6.925 -20.724 2.026 1.00 0.50 ATOM 1692 HB THR 102 6.302 -21.348 1.405 1.00 52.32 ATOM 1693 OG1 THR 102 7.587 -19.771 1.187 1.00 53.43 ATOM 1694 HG1 THR 102 8.169 -19.199 1.705 1.00 13.53 ATOM 1695 CG2 THR 102 6.041 -19.997 3.028 1.00 4.45 ATOM 1696 HG21 THR 102 5.774 -19.036 2.635 1.00 55.43 ATOM 1697 HG22 THR 102 6.563 -19.859 3.967 1.00 12.55 ATOM 1698 HG23 THR 102 5.144 -20.574 3.199 1.00 53.53 ATOM 1699 C THR 102 7.242 -22.542 3.705 1.00 32.21 ATOM 1700 O THR 102 7.613 -22.660 4.873 1.00 71.12 ATOM 1701 N SER 103 6.208 -23.210 3.203 1.00 23.51 ATOM 1702 HN SER 103 5.987 -23.132 2.248 1.00 37.96 ATOM 1703 CA SER 103 5.431 -24.139 4.016 1.00 61.14 ATOM 1704 HA SER 103 5.394 -23.764 5.032 1.00 74.44 ATOM 1705 CB SER 103 4.000 -24.240 3.485 1.00 52.43 ATOM 1706 HB1 SER 103 3.523 -23.274 3.565 1.00 37.96 ATOM 1707 HB2 SER 103 3.443 -24.962 4.065 1.00 43.32 ATOM 1708 OG SER 103 3.987 -24.639 2.125 1.00 1.30 ATOM 1709 HG SER 103 3.090 -24.860 1.865 1.00 25.43 ATOM 1710 C SER 103 6.078 -25.521 4.031 1.00 43.44 ATOM 1711 O SER 103 5.437 -26.522 3.713 1.00 1.13 ATOM 1712 N ALA 104 7.354 -25.566 4.402 1.00 54.42 ATOM 1713 HN ALA 104 7.806 -24.747 4.691 1.00 37.96 ATOM 1714 CA ALA 104 8.088 -26.823 4.461 1.00 62.35 ATOM 1715 HA ALA 104 7.874 -27.389 3.562 1.00 15.42 ATOM 1716 CB ALA 104 9.586 -26.558 4.495 1.00 61.53 ATOM 1717 HB1 ALA 104 9.911 -26.370 5.510 1.00 3.15 ATOM 1718 HB2 ALA 104 9.810 -25.702 3.899 1.00 33.01 ATOM 1719 HB3 ALA 104 10.112 -27.416 4.104 1.00 40.34 ATOM 1720 C ALA 104 7.667 -27.649 5.672 1.00 42.24 ATOM 1721 O ALA 104 7.274 -28.807 5.539 1.00 72.25 ATOM 1722 N ALA 105 7.753 -27.045 6.852 1.00 24.04 ATOM 1723 HN ALA 105 8.071 -26.111 6.893 1.00 37.96 ATOM 1724 CA ALA 105 7.380 -27.724 8.087 1.00 61.42 ATOM 1725 HA ALA 105 7.916 -28.664 8.134 1.00 1.21 ATOM 1726 CB ALA 105 7.792 -26.892 9.292 1.00 32.53 ATOM 1727 HB1 ALA 105 7.587 -25.848 9.096 1.00 14.10 ATOM 1728 HB2 ALA 105 8.848 -27.019 9.470 1.00 4.01 ATOM 1729 HB3 ALA 105 7.242 -27.200 10.169 1.00 42.45 ATOM 1730 C ALA 105 5.883 -28.010 8.125 1.00 14.31 ATOM 1731 O ALA 105 5.443 -28.995 8.719 1.00 42.15 ATOM 1732 N PHE 106 5.103 -27.141 7.489 1.00 21.42 ATOM 1733 HN PHE 106 5.503 -26.363 7.035 1.00 37.96 ATOM 1734 CA PHE 106 3.654 -27.300 7.452 1.00 11.52 ATOM 1735 HA PHE 106 3.322 -27.578 8.447 1.00 55.24 ATOM 1736 CB PHE 106 2.986 -25.983 7.049 1.00 61.33 ATOM 1737 HB1 PHE 106 2.926 -25.916 5.968 1.00 37.96 ATOM 1738 HB2 PHE 106 3.591 -25.159 7.409 1.00 10.43 ATOM 1739 CG PHE 106 1.608 -25.811 7.620 1.00 52.41 ATOM 1740 CD1 PHE 106 0.492 -25.870 6.801 1.00 33.42 ATOM 1741 HD1 PHE 106 0.616 -26.044 5.741 1.00 41.42 ATOM 1742 CD2 PHE 106 1.428 -25.588 8.976 1.00 43.03 ATOM 1743 HD2 PHE 106 2.289 -25.539 9.629 1.00 50.12 ATOM 1744 CE1 PHE 106 -0.778 -25.712 7.324 1.00 72.34 ATOM 1745 HE1 PHE 106 -1.640 -25.760 6.675 1.00 54.52 ATOM 1746 CE2 PHE 106 0.161 -25.430 9.504 1.00 50.41 ATOM 1747 HE2 PHE 106 0.037 -25.254 10.559 1.00 24.11 ATOM 1748 CZ PHE 106 -0.944 -25.491 8.677 1.00 45.53 ATOM 1749 HZ PHE 106 -1.935 -25.367 9.088 1.00 23.40 ATOM 1750 C PHE 106 3.252 -28.405 6.481 1.00 60.52 ATOM 1751 O PHE 106 2.514 -29.324 6.838 1.00 61.51 ATOM 1752 N THR 107 3.743 -28.310 5.249 1.00 54.12 ATOM 1753 HN THR 107 4.335 -27.553 5.022 1.00 37.96 ATOM 1754 CA THR 107 3.434 -29.300 4.224 1.00 3.34 ATOM 1755 HA THR 107 2.357 -29.371 4.134 1.00 4.04 ATOM 1756 CB THR 107 4.003 -28.886 2.854 1.00 55.41 ATOM 1757 HB THR 107 5.074 -28.776 2.942 1.00 64.13 ATOM 1758 OG1 THR 107 3.434 -27.637 2.445 1.00 55.13 ATOM 1759 HG1 THR 107 4.029 -27.196 1.833 1.00 12.54 ATOM 1760 CG2 THR 107 3.714 -29.949 1.805 1.00 54.53 ATOM 1761 HG21 THR 107 2.673 -30.241 1.851 1.00 40.44 ATOM 1762 HG22 THR 107 4.342 -30.812 1.970 1.00 13.25 ATOM 1763 HG23 THR 107 3.924 -29.544 0.826 1.00 25.14 ATOM 1764 C THR 107 3.989 -30.669 4.599 1.00 73.41 ATOM 1765 O THR 107 3.398 -31.700 4.273 1.00 31.00 ATOM 1766 N LEU 108 5.126 -30.675 5.285 1.00 10.43 ATOM 1767 HN LEU 108 5.566 -29.822 5.508 1.00 37.96 ATOM 1768 CA LEU 108 5.760 -31.919 5.705 1.00 25.25 ATOM 1769 HA LEU 108 5.866 -32.549 4.836 1.00 11.42 ATOM 1770 CB LEU 108 7.138 -31.635 6.307 1.00 51.31 ATOM 1771 HB1 LEU 108 7.382 -32.436 6.986 1.00 37.96 ATOM 1772 HB2 LEU 108 7.073 -30.725 6.886 1.00 74.52 ATOM 1773 CG LEU 108 8.292 -31.509 5.312 1.00 71.14 ATOM 1774 HG LEU 108 8.035 -30.785 4.566 1.00 1.14 ATOM 1775 CD1 LEU 108 9.553 -31.032 6.014 1.00 3.33 ATOM 1776 HD11 LEU 108 9.871 -30.119 5.550 1.00 21.33 ATOM 1777 HD12 LEU 108 10.340 -31.769 5.946 1.00 12.52 ATOM 1778 HD13 LEU 108 9.353 -30.831 7.054 1.00 4.21 ATOM 1779 CD2 LEU 108 8.539 -32.837 4.612 1.00 64.45 ATOM 1780 HD21 LEU 108 9.403 -32.756 3.966 1.00 75.21 ATOM 1781 HD22 LEU 108 7.680 -33.101 4.017 1.00 64.02 ATOM 1782 HD23 LEU 108 8.715 -33.604 5.348 1.00 63.45 ATOM 1783 C LEU 108 4.893 -32.657 6.720 1.00 72.43 ATOM 1784 O LEU 108 4.604 -33.843 6.558 1.00 23.31 ATOM 1785 N ARG 109 4.478 -31.947 7.764 1.00 61.41 ATOM 1786 HN ARG 109 4.744 -30.999 7.839 1.00 37.96 ATOM 1787 CA ARG 109 3.642 -32.535 8.804 1.00 62.01 ATOM 1788 HA ARG 109 4.205 -33.326 9.279 1.00 64.30 ATOM 1789 CB ARG 109 3.284 -31.483 9.855 1.00 1.01 ATOM 1790 HB1 ARG 109 2.759 -30.670 9.370 1.00 37.96 ATOM 1791 HB2 ARG 109 4.200 -31.102 10.285 1.00 11.43 ATOM 1792 CG ARG 109 2.412 -32.018 10.979 1.00 2.45 ATOM 1793 HG1 ARG 109 2.937 -32.818 11.478 1.00 37.96 ATOM 1794 HG2 ARG 109 1.486 -32.391 10.571 1.00 2.33 ATOM 1795 CD ARG 109 2.085 -30.933 11.994 1.00 30.54 ATOM 1796 HD1 ARG 109 3.006 -30.433 12.257 1.00 37.96 ATOM 1797 HD2 ARG 109 1.675 -31.398 12.868 1.00 61.45 ATOM 1798 NE ARG 109 1.141 -29.954 11.463 1.00 1.35 ATOM 1799 HE ARG 109 0.581 -30.222 10.697 1.00 54.31 ATOM 1800 CZ ARG 109 0.994 -28.731 11.961 1.00 55.20 ATOM 1801 NH1 ARG 109 1.725 -28.340 12.996 1.00 53.24 ATOM 1802 HH11 ARG 109 2.386 -28.940 13.423 1.00 24.32 ATOM 1803 HH12 ARG 109 1.612 -27.416 13.351 1.00 75.05 ATOM 1804 NH2 ARG 109 0.113 -27.896 11.423 1.00 24.11 ATOM 1805 HH21 ARG 109 -0.441 -28.183 10.639 1.00 74.31 ATOM 1806 HH22 ARG 109 -0.009 -26.980 11.807 1.00 30.42 ATOM 1807 C ARG 109 2.369 -33.128 8.208 1.00 51.23 ATOM 1808 O ARG 109 1.985 -34.253 8.528 1.00 22.40 ATOM 1809 N THR 110 1.716 -32.362 7.338 1.00 23.34 ATOM 1810 HN THR 110 2.069 -31.467 7.119 1.00 37.96 ATOM 1811 CA THR 110 0.486 -32.810 6.699 1.00 72.23 ATOM 1812 HA THR 110 -0.195 -33.144 7.474 1.00 62.22 ATOM 1813 CB THR 110 -0.192 -31.666 5.922 1.00 53.20 ATOM 1814 HB THR 110 0.437 -31.385 5.087 1.00 11.41 ATOM 1815 OG1 THR 110 -0.358 -30.527 6.774 1.00 53.34 ATOM 1816 HG1 THR 110 -0.904 -30.745 7.542 1.00 5.21 ATOM 1817 CG2 THR 110 -1.546 -32.105 5.384 1.00 1.30 ATOM 1818 HG21 THR 110 -1.410 -32.838 4.603 1.00 43.22 ATOM 1819 HG22 THR 110 -2.062 -31.247 4.979 1.00 74.34 ATOM 1820 HG23 THR 110 -2.139 -32.532 6.182 1.00 72.35 ATOM 1821 C THR 110 0.752 -33.969 5.744 1.00 3.35 ATOM 1822 O THR 110 0.177 -35.047 5.888 1.00 51.01 ATOM 1823 N GLN 111 1.628 -33.738 4.772 1.00 62.53 ATOM 1824 HN GLN 111 2.054 -32.851 4.708 1.00 37.96 ATOM 1825 CA GLN 111 1.970 -34.765 3.794 1.00 43.41 ATOM 1826 HA GLN 111 1.087 -34.991 3.239 1.00 11.12 ATOM 1827 CB GLN 111 3.072 -34.261 2.859 1.00 34.31 ATOM 1828 HB1 GLN 111 3.486 -35.101 2.313 1.00 37.96 ATOM 1829 HB2 GLN 111 3.857 -33.814 3.443 1.00 25.45 ATOM 1830 CG GLN 111 2.585 -33.249 1.835 1.00 13.42 ATOM 1831 HG1 GLN 111 3.386 -33.044 1.140 1.00 37.96 ATOM 1832 HG2 GLN 111 2.311 -32.341 2.344 1.00 75.22 ATOM 1833 CD GLN 111 1.381 -33.740 1.055 1.00 3.00 ATOM 1834 OE1 GLN 111 1.165 -34.944 0.919 1.00 33.50 ATOM 1835 NE2 GLN 111 0.590 -32.808 0.537 1.00 1.43 ATOM 1836 HE21 GLN 111 0.812 -31.859 0.677 1.00 34.21 ATOM 1837 HE22 GLN 111 -0.194 -33.106 0.029 1.00 52.23 ATOM 1838 C GLN 111 2.421 -36.047 4.486 1.00 71.05 ATOM 1839 O GLN 111 2.236 -37.145 3.960 1.00 25.22 ATOM 1840 N TYR 112 3.012 -35.900 5.666 1.00 64.23 ATOM 1841 HN TYR 112 3.170 -35.000 6.030 1.00 37.96 ATOM 1842 CA TYR 112 3.492 -37.047 6.428 1.00 1.32 ATOM 1843 HA TYR 112 3.922 -37.764 5.738 1.00 3.53 ATOM 1844 CB TYR 112 4.577 -36.612 7.415 1.00 13.31 ATOM 1845 HB1 TYR 112 4.219 -35.755 7.970 1.00 37.96 ATOM 1846 HB2 TYR 112 5.461 -36.325 6.862 1.00 13.53 ATOM 1847 CG TYR 112 4.958 -37.686 8.408 1.00 33.14 ATOM 1848 CD1 TYR 112 4.264 -37.834 9.603 1.00 54.42 ATOM 1849 HD1 TYR 112 3.444 -37.167 9.824 1.00 22.33 ATOM 1850 CD2 TYR 112 6.012 -38.555 8.152 1.00 54.43 ATOM 1851 HD2 TYR 112 6.558 -38.467 7.247 1.00 62.21 ATOM 1852 CE1 TYR 112 4.609 -38.813 10.513 1.00 31.34 ATOM 1853 HE1 TYR 112 4.061 -38.928 11.424 1.00 45.32 ATOM 1854 CE2 TYR 112 6.363 -39.538 9.056 1.00 70.31 ATOM 1855 HE2 TYR 112 7.180 -40.198 8.838 1.00 64.02 ATOM 1856 CZ TYR 112 5.659 -39.663 10.235 1.00 20.34 ATOM 1857 OH TYR 112 6.005 -40.641 11.139 1.00 21.52 ATOM 1858 HH TYR 112 5.349 -41.345 11.127 1.00 34.32 ATOM 1859 C TYR 112 2.347 -37.720 7.178 1.00 13.12 ATOM 1860 O TYR 112 2.094 -38.912 7.007 1.00 53.04 ATOM 1861 N MET 113 1.657 -36.946 8.010 1.00 21.10 ATOM 1862 HN MET 113 1.909 -35.998 8.105 1.00 37.96 ATOM 1863 CA MET 113 0.537 -37.466 8.786 1.00 70.25 ATOM 1864 HA MET 113 0.913 -38.235 9.438 1.00 12.23 ATOM 1865 CB MET 113 -0.079 -36.356 9.639 1.00 74.01 ATOM 1866 HB1 MET 113 -0.660 -35.702 8.999 1.00 37.96 ATOM 1867 HB2 MET 113 0.722 -35.781 10.085 1.00 52.34 ATOM 1868 CG MET 113 -0.962 -36.873 10.764 1.00 43.14 ATOM 1869 HG1 MET 113 -0.342 -37.061 11.628 1.00 37.96 ATOM 1870 HG2 MET 113 -1.440 -37.793 10.462 1.00 13.35 ATOM 1871 SD MET 113 -2.249 -35.700 11.232 1.00 64.03 ATOM 1872 CE MET 113 -1.275 -34.223 11.513 1.00 22.43 ATOM 1873 HE1 MET 113 -0.468 -34.448 12.195 1.00 24.04 ATOM 1874 HE2 MET 113 -1.902 -33.455 11.940 1.00 54.54 ATOM 1875 HE3 MET 113 -0.868 -33.874 10.575 1.00 31.23 ATOM 1876 C MET 113 -0.524 -38.069 7.871 1.00 54.24 ATOM 1877 O MET 113 -1.340 -38.884 8.302 1.00 53.05 ATOM 1878 N LYS 114 -0.508 -37.663 6.606 1.00 55.44 ATOM 1879 HN LYS 114 0.108 -36.955 6.324 1.00 37.96 ATOM 1880 CA LYS 114 -1.469 -38.163 5.629 1.00 45.33 ATOM 1881 HA LYS 114 -2.465 -37.937 5.991 1.00 73.33 ATOM 1882 CB LYS 114 -1.252 -37.481 4.276 1.00 74.24 ATOM 1883 HB1 LYS 114 -1.501 -38.179 3.486 1.00 37.96 ATOM 1884 HB2 LYS 114 -0.210 -37.209 4.178 1.00 25.41 ATOM 1885 CG LYS 114 -2.093 -36.231 4.083 1.00 0.23 ATOM 1886 HG1 LYS 114 -1.856 -35.520 4.855 1.00 37.96 ATOM 1887 HG2 LYS 114 -3.138 -36.500 4.157 1.00 74.13 ATOM 1888 CD LYS 114 -1.842 -35.593 2.727 1.00 23.21 ATOM 1889 HD1 LYS 114 -0.797 -35.361 2.629 1.00 37.96 ATOM 1890 HD2 LYS 114 -2.419 -34.682 2.663 1.00 1.30 ATOM 1891 CE LYS 114 -2.250 -36.519 1.592 1.00 72.14 ATOM 1892 HE1 LYS 114 -3.059 -37.163 1.915 1.00 37.96 ATOM 1893 HE2 LYS 114 -1.403 -37.121 1.319 1.00 50.42 ATOM 1894 NZ LYS 114 -2.700 -35.760 0.392 1.00 64.43 ATOM 1895 HZ1 LYS 114 -1.933 -35.149 0.041 1.00 14.41 ATOM 1896 HZ2 LYS 114 -3.523 -35.166 0.626 1.00 62.44 ATOM 1897 HZ3 LYS 114 -2.972 -36.421 -0.364 1.00 1.34 ATOM 1898 C LYS 114 -1.348 -39.675 5.473 1.00 74.31 ATOM 1899 O LYS 114 -2.341 -40.399 5.561 1.00 3.22 ATOM 1900 N TYR 115 -0.128 -40.146 5.242 1.00 31.53 ATOM 1901 HN TYR 115 0.635 -39.523 5.192 1.00 37.96 ATOM 1902 CA TYR 115 0.121 -41.573 5.073 1.00 20.25 ATOM 1903 HA TYR 115 -0.823 -42.082 4.945 1.00 10.10 ATOM 1904 CB TYR 115 0.973 -41.819 3.827 1.00 20.52 ATOM 1905 HB1 TYR 115 1.001 -42.868 3.605 1.00 37.96 ATOM 1906 HB2 TYR 115 1.988 -41.489 4.028 1.00 12.41 ATOM 1907 CG TYR 115 0.488 -41.073 2.605 1.00 3.31 ATOM 1908 CD1 TYR 115 -0.365 -41.678 1.691 1.00 52.45 ATOM 1909 HD1 TYR 115 -0.687 -42.683 1.860 1.00 31.23 ATOM 1910 CD2 TYR 115 0.884 -39.763 2.364 1.00 24.02 ATOM 1911 HD2 TYR 115 1.548 -39.278 3.061 1.00 42.53 ATOM 1912 CE1 TYR 115 -0.810 -41.000 0.572 1.00 12.41 ATOM 1913 HE1 TYR 115 -1.473 -41.488 -0.127 1.00 4.55 ATOM 1914 CE2 TYR 115 0.443 -39.077 1.249 1.00 3.14 ATOM 1915 HE2 TYR 115 0.762 -38.059 1.081 1.00 50.01 ATOM 1916 CZ TYR 115 -0.404 -39.699 0.356 1.00 24.42 ATOM 1917 OH TYR 115 -0.844 -39.020 -0.756 1.00 51.23 ATOM 1918 HH TYR 115 -1.770 -38.781 -0.648 1.00 21.51 ATOM 1919 C TYR 115 0.816 -42.154 6.301 1.00 10.12 ATOM 1920 O TYR 115 0.357 -43.139 6.881 1.00 2.25 ATOM 1921 N LEU 116 1.925 -41.536 6.692 1.00 22.32 ATOM 1922 HN LEU 116 2.237 -40.741 6.196 1.00 37.96 ATOM 1923 CA LEU 116 2.685 -41.990 7.852 1.00 43.11 ATOM 1924 HA LEU 116 2.618 -43.073 7.901 1.00 74.32 ATOM 1925 CB LEU 116 4.160 -41.611 7.700 1.00 35.11 ATOM 1926 HB1 LEU 116 4.707 -41.994 8.553 1.00 37.96 ATOM 1927 HB2 LEU 116 4.212 -40.532 7.720 1.00 11.44 ATOM 1928 CG LEU 116 4.848 -42.091 6.422 1.00 74.13 ATOM 1929 HG LEU 116 4.228 -41.850 5.571 1.00 14.31 ATOM 1930 CD1 LEU 116 6.183 -41.387 6.237 1.00 12.25 ATOM 1931 HD11 LEU 116 6.779 -41.488 7.127 1.00 41.33 ATOM 1932 HD12 LEU 116 6.007 -40.340 6.045 1.00 45.34 ATOM 1933 HD13 LEU 116 6.714 -41.816 5.397 1.00 54.02 ATOM 1934 CD2 LEU 116 5.039 -43.600 6.453 1.00 35.52 ATOM 1935 HD21 LEU 116 4.080 -44.077 6.562 1.00 50.32 ATOM 1936 HD22 LEU 116 5.673 -43.873 7.286 1.00 22.13 ATOM 1937 HD23 LEU 116 5.497 -43.928 5.530 1.00 54.10 ATOM 1938 C LEU 116 2.125 -41.392 9.138 1.00 13.22 ATOM 1939 O LEU 116 2.071 -40.172 9.296 1.00 42.22 ATOM 1940 N TYR 117 1.710 -42.258 10.056 1.00 70.35 ATOM 1941 HN TYR 117 1.846 -43.223 9.900 1.00 37.96 ATOM 1942 CA TYR 117 1.153 -41.816 11.328 1.00 2.15 ATOM 1943 HA TYR 117 1.926 -41.285 11.865 1.00 23.12 ATOM 1944 CB TYR 117 -0.026 -40.870 11.092 1.00 25.13 ATOM 1945 HB1 TYR 117 -0.519 -41.094 10.161 1.00 37.96 ATOM 1946 HB2 TYR 117 0.366 -39.863 11.033 1.00 51.31 ATOM 1947 CG TYR 117 -1.039 -40.874 12.215 1.00 42.55 ATOM 1948 CD1 TYR 117 -2.383 -41.118 11.963 1.00 51.13 ATOM 1949 HD1 TYR 117 -2.709 -41.301 10.950 1.00 15.04 ATOM 1950 CD2 TYR 117 -0.651 -40.633 13.527 1.00 34.22 ATOM 1951 HD2 TYR 117 0.391 -40.441 13.744 1.00 35.44 ATOM 1952 CE1 TYR 117 -3.312 -41.121 12.985 1.00 72.20 ATOM 1953 HE1 TYR 117 -4.352 -41.313 12.768 1.00 1.30 ATOM 1954 CE2 TYR 117 -1.573 -40.636 14.556 1.00 54.00 ATOM 1955 HE2 TYR 117 -1.251 -40.447 15.570 1.00 12.21 ATOM 1956 CZ TYR 117 -2.903 -40.880 14.280 1.00 44.12 ATOM 1957 OH TYR 117 -3.825 -40.884 15.301 1.00 2.30 ATOM 1958 HH TYR 117 -4.101 -41.786 15.488 1.00 44.00 ATOM 1959 C TYR 117 0.704 -43.007 12.170 1.00 52.42 ATOM 1960 O TYR 117 1.158 -43.211 13.296 1.00 63.14 ATOM 1961 N PRO 118 -0.211 -43.813 11.611 1.00 51.30 ATOM 1962 CA PRO 118 -0.742 -44.998 12.291 1.00 73.05 ATOM 1963 HA PRO 118 -1.130 -44.754 13.269 1.00 12.23 ATOM 1964 CB PRO 118 -1.889 -45.445 11.380 1.00 64.01 ATOM 1965 HB1 PRO 118 -2.814 -45.011 11.730 1.00 37.96 ATOM 1966 HB2 PRO 118 -1.975 -46.524 11.375 1.00 23.11 ATOM 1967 CG PRO 118 -1.528 -44.921 10.033 1.00 74.24 ATOM 1968 HG1 PRO 118 -2.423 -44.743 9.456 1.00 37.96 ATOM 1969 HG2 PRO 118 -0.887 -45.626 9.525 1.00 54.33 ATOM 1970 CD PRO 118 -0.797 -43.629 10.273 1.00 60.55 ATOM 1971 HD1 PRO 118 -1.501 -42.834 10.250 1.00 37.96 ATOM 1972 HD2 PRO 118 -0.059 -43.501 9.511 1.00 63.02 ATOM 1973 C PRO 118 0.297 -46.106 12.421 1.00 3.12 ATOM 1974 O PRO 118 0.241 -46.917 13.345 1.00 20.44 ATOM 1975 N TYR 119 1.245 -46.134 11.491 1.00 3.22 ATOM 1976 HN TYR 119 1.241 -45.466 10.767 1.00 37.96 ATOM 1977 CA TYR 119 2.297 -47.144 11.502 1.00 52.24 ATOM 1978 HA TYR 119 1.832 -48.109 11.650 1.00 45.22 ATOM 1979 CB TYR 119 3.047 -47.143 10.169 1.00 41.13 ATOM 1980 HB1 TYR 119 3.684 -46.267 10.111 1.00 37.96 ATOM 1981 HB2 TYR 119 2.324 -47.101 9.366 1.00 64.53 ATOM 1982 CG TYR 119 3.892 -48.377 9.949 1.00 62.23 ATOM 1983 CD1 TYR 119 5.249 -48.273 9.669 1.00 43.23 ATOM 1984 HD1 TYR 119 5.703 -47.293 9.609 1.00 60.22 ATOM 1985 CD2 TYR 119 3.334 -49.647 10.020 1.00 70.42 ATOM 1986 HD2 TYR 119 2.284 -49.751 10.239 1.00 10.43 ATOM 1987 CE1 TYR 119 6.025 -49.398 9.466 1.00 5.43 ATOM 1988 HE1 TYR 119 7.073 -49.304 9.261 1.00 72.41 ATOM 1989 CE2 TYR 119 4.103 -50.778 9.820 1.00 13.33 ATOM 1990 HE2 TYR 119 3.650 -51.754 9.874 1.00 4.43 ATOM 1991 CZ TYR 119 5.448 -50.648 9.544 1.00 53.33 ATOM 1992 OH TYR 119 6.217 -51.771 9.343 1.00 74.21 ATOM 1993 HH TYR 119 6.787 -51.917 10.104 1.00 61.52 ATOM 1994 C TYR 119 3.274 -46.901 12.648 1.00 32.31 ATOM 1995 O TYR 119 3.761 -47.843 13.272 1.00 61.42 ATOM 1996 N GLU 120 3.554 -45.630 12.919 1.00 20.43 ATOM 1997 HN GLU 120 3.141 -44.913 12.382 1.00 37.96 ATOM 1998 CA GLU 120 4.473 -45.263 13.990 1.00 33.25 ATOM 1999 HA GLU 120 5.370 -45.863 13.880 1.00 44.30 ATOM 2000 CB GLU 120 4.843 -43.782 13.890 1.00 60.04 ATOM 2001 HB1 GLU 120 4.117 -43.190 14.437 1.00 37.96 ATOM 2002 HB2 GLU 120 4.814 -43.484 12.850 1.00 50.00 ATOM 2003 CG GLU 120 6.231 -43.464 14.421 1.00 54.12 ATOM 2004 HG1 GLU 120 6.947 -43.785 13.691 1.00 37.96 ATOM 2005 HG2 GLU 120 6.393 -44.000 15.347 1.00 21.14 ATOM 2006 CD GLU 120 6.430 -41.984 14.684 1.00 55.23 ATOM 2007 OE1 GLU 120 6.139 -41.537 15.813 1.00 54.34 ATOM 2008 OE2 GLU 120 6.877 -41.273 13.759 1.00 13.34 ATOM 2009 C GLU 120 3.859 -45.553 15.357 1.00 32.31 ATOM 2010 O GLU 120 4.552 -45.974 16.284 1.00 1.22 ATOM 2011 N CYS 121 2.555 -45.325 15.474 1.00 64.42 ATOM 2012 HN CYS 121 2.046 -44.985 14.701 1.00 37.96 ATOM 2013 CA CYS 121 1.847 -45.561 16.727 1.00 3.41 ATOM 2014 HA CYS 121 2.488 -45.248 17.541 1.00 44.41 ATOM 2015 CB CYS 121 0.564 -44.730 16.775 1.00 33.53 ATOM 2016 HB1 CYS 121 -0.154 -45.127 16.069 1.00 37.96 ATOM 2017 HB2 CYS 121 0.798 -43.711 16.502 1.00 1.13 ATOM 2018 SG CYS 121 -0.226 -44.686 18.401 1.00 2.33 ATOM 2019 HG CYS 121 -1.208 -45.575 18.403 1.00 64.42 ATOM 2020 C CYS 121 1.517 -47.040 16.896 1.00 62.13 ATOM 2021 O CYS 121 1.413 -47.538 18.016 1.00 74.31 ATOM 2022 N GLU 122 1.353 -47.736 15.775 1.00 52.11 ATOM 2023 HN GLU 122 1.442 -47.290 14.901 1.00 37.96 ATOM 2024 CA GLU 122 1.032 -49.158 15.800 1.00 72.13 ATOM 2025 HA GLU 122 0.335 -49.340 16.610 1.00 3.10 ATOM 2026 CB GLU 122 0.369 -49.577 14.486 1.00 52.01 ATOM 2027 HB1 GLU 122 1.065 -49.410 13.675 1.00 37.96 ATOM 2028 HB2 GLU 122 -0.498 -48.955 14.327 1.00 22.11 ATOM 2029 CG GLU 122 -0.053 -51.036 14.455 1.00 34.23 ATOM 2030 HG1 GLU 122 0.597 -51.628 15.081 1.00 37.96 ATOM 2031 HG2 GLU 122 0.031 -51.396 13.453 1.00 52.12 ATOM 2032 CD GLU 122 -1.478 -51.241 14.931 1.00 34.45 ATOM 2033 OE1 GLU 122 -2.366 -50.481 14.493 1.00 13.21 ATOM 2034 OE2 GLU 122 -1.705 -52.163 15.743 1.00 71.41 ATOM 2035 C GLU 122 2.285 -49.995 16.039 1.00 44.31 ATOM 2036 O GLU 122 2.265 -50.961 16.802 1.00 2.31 ATOM 2037 N LYS 123 3.376 -49.617 15.380 1.00 31.24 ATOM 2038 HN LYS 123 3.338 -48.834 14.782 1.00 37.96 ATOM 2039 CA LYS 123 4.640 -50.330 15.520 1.00 20.32 ATOM 2040 HA LYS 123 4.429 -51.372 15.717 1.00 52.31 ATOM 2041 CB LYS 123 5.457 -50.219 14.231 1.00 61.30 ATOM 2042 HB1 LYS 123 6.465 -50.575 14.415 1.00 37.96 ATOM 2043 HB2 LYS 123 5.512 -49.186 13.939 1.00 25.12 ATOM 2044 CG LYS 123 4.880 -51.017 13.074 1.00 14.44 ATOM 2045 HG1 LYS 123 5.414 -50.739 12.187 1.00 37.96 ATOM 2046 HG2 LYS 123 3.833 -50.767 12.960 1.00 1.03 ATOM 2047 CD LYS 123 5.041 -52.512 13.292 1.00 1.31 ATOM 2048 HD1 LYS 123 5.016 -52.750 14.345 1.00 37.96 ATOM 2049 HD2 LYS 123 5.994 -52.814 12.885 1.00 64.53 ATOM 2050 CE LYS 123 3.941 -53.298 12.596 1.00 63.43 ATOM 2051 HE1 LYS 123 3.610 -52.766 11.717 1.00 37.96 ATOM 2052 HE2 LYS 123 3.112 -53.407 13.278 1.00 10.23 ATOM 2053 NZ LYS 123 4.403 -54.653 12.185 1.00 23.32 ATOM 2054 HZ1 LYS 123 5.204 -54.578 11.524 1.00 20.15 ATOM 2055 HZ2 LYS 123 3.630 -55.163 11.713 1.00 74.43 ATOM 2056 HZ3 LYS 123 4.703 -55.201 13.018 1.00 4.40 ATOM 2057 C LYS 123 5.446 -49.784 16.694 1.00 2.31 ATOM 2058 O LYS 123 6.239 -50.503 17.303 1.00 15.53 ATOM 2059 N ARG 124 5.238 -48.509 17.007 1.00 53.13 ATOM 2060 HN ARG 124 4.619 -47.964 16.472 1.00 37.96 ATOM 2061 CA ARG 124 5.945 -47.867 18.108 1.00 41.20 ATOM 2062 HA ARG 124 6.322 -48.630 18.781 1.00 13.34 ATOM 2063 CB ARG 124 7.116 -47.038 17.576 1.00 32.11 ATOM 2064 HB1 ARG 124 7.230 -46.124 18.147 1.00 37.96 ATOM 2065 HB2 ARG 124 6.912 -46.766 16.549 1.00 54.33 ATOM 2066 CG ARG 124 8.444 -47.776 17.599 1.00 4.13 ATOM 2067 HG1 ARG 124 9.151 -47.232 16.989 1.00 37.96 ATOM 2068 HG2 ARG 124 8.306 -48.768 17.188 1.00 44.41 ATOM 2069 CD ARG 124 8.997 -47.884 19.012 1.00 72.21 ATOM 2070 HD1 ARG 124 8.185 -47.855 19.729 1.00 37.96 ATOM 2071 HD2 ARG 124 9.655 -47.045 19.187 1.00 51.51 ATOM 2072 NE ARG 124 9.747 -49.121 19.213 1.00 71.10 ATOM 2073 HE ARG 124 9.775 -49.771 18.472 1.00 11.31 ATOM 2074 CZ ARG 124 10.391 -49.416 20.337 1.00 41.43 ATOM 2075 NH1 ARG 124 10.376 -48.567 21.355 1.00 4.31 ATOM 2076 HH11 ARG 124 9.886 -47.698 21.300 1.00 53.02 ATOM 2077 HH12 ARG 124 10.864 -48.797 22.200 1.00 63.43 ATOM 2078 NH2 ARG 124 11.052 -50.561 20.444 1.00 75.54 ATOM 2079 HH21 ARG 124 11.068 -51.207 19.678 1.00 13.00 ATOM 2080 HH22 ARG 124 11.539 -50.785 21.291 1.00 21.04 ATOM 2081 C ARG 124 5.003 -46.977 18.914 1.00 21.31 ATOM 2082 O ARG 124 3.818 -46.868 18.603 1.00 50.32 ATOM 2083 N GLY 125 5.540 -46.344 19.953 1.00 54.21 ATOM 2084 HN GLY 125 6.490 -46.482 20.177 1.00 37.96 ATOM 2085 CA GLY 125 4.733 -45.473 20.788 1.00 41.11 ATOM 2086 HA1 GLY 125 4.452 -46.014 21.679 1.00 37.96 ATOM 2087 HA2 GLY 125 3.832 -45.175 20.264 1.00 73.23 ATOM 2088 C GLY 125 5.474 -44.217 21.202 1.00 63.05 ATOM 2089 O GLY 125 5.334 -43.748 22.332 1.00 24.40 ATOM 2090 N LEU 126 6.266 -43.671 20.286 1.00 43.25 ATOM 2091 HN LEU 126 6.285 -44.058 19.382 1.00 37.96 ATOM 2092 CA LEU 126 7.034 -42.462 20.561 1.00 5.43 ATOM 2093 HA LEU 126 7.674 -42.655 21.412 1.00 21.33 ATOM 2094 CB LEU 126 7.910 -42.105 19.359 1.00 51.43 ATOM 2095 HB1 LEU 126 8.578 -41.318 19.666 1.00 37.96 ATOM 2096 HB2 LEU 126 7.261 -41.710 18.582 1.00 35.54 ATOM 2097 CG LEU 126 8.737 -43.247 18.768 1.00 4.22 ATOM 2098 HG LEU 126 8.250 -44.194 18.934 1.00 75.33 ATOM 2099 CD1 LEU 126 8.883 -43.078 17.264 1.00 62.11 ATOM 2100 HD11 LEU 126 7.904 -43.060 16.805 1.00 72.41 ATOM 2101 HD12 LEU 126 9.449 -43.905 16.859 1.00 72.44 ATOM 2102 HD13 LEU 126 9.398 -42.151 17.048 1.00 14.31 ATOM 2103 CD2 LEU 126 10.104 -43.315 19.434 1.00 1.20 ATOM 2104 HD21 LEU 126 10.668 -44.141 19.023 1.00 14.40 ATOM 2105 HD22 LEU 126 9.982 -43.464 20.498 1.00 34.42 ATOM 2106 HD23 LEU 126 10.642 -42.393 19.261 1.00 40.13 ATOM 2107 C LEU 126 6.111 -41.295 20.897 1.00 4.30 ATOM 2108 O LEU 126 6.497 -40.371 21.613 1.00 45.10 ATOM 2109 N SER 127 4.889 -41.345 20.377 1.00 43.14 ATOM 2110 HN SER 127 4.640 -42.078 19.769 1.00 37.96 ATOM 2111 CA SER 127 3.911 -40.291 20.620 1.00 60.22 ATOM 2112 HA SER 127 4.076 -39.899 21.612 1.00 3.50 ATOM 2113 CB SER 127 4.084 -39.161 19.604 1.00 45.23 ATOM 2114 HB1 SER 127 3.786 -38.234 20.065 1.00 37.96 ATOM 2115 HB2 SER 127 3.476 -39.342 18.726 1.00 30.23 ATOM 2116 OG SER 127 5.436 -39.045 19.195 1.00 24.31 ATOM 2117 HG SER 127 5.515 -38.344 18.544 1.00 62.15 ATOM 2118 C SER 127 2.490 -40.842 20.547 1.00 1.13 ATOM 2119 O SER 127 2.250 -41.893 19.954 1.00 14.35 ATOM 2120 N ASN 128 1.552 -40.123 21.156 1.00 70.43 ATOM 2121 HN ASN 128 1.799 -39.308 21.601 1.00 37.96 ATOM 2122 CA ASN 128 0.154 -40.539 21.161 1.00 21.44 ATOM 2123 HA ASN 128 0.095 -41.545 20.768 1.00 54.34 ATOM 2124 CB ASN 128 -0.390 -40.551 22.591 1.00 33.12 ATOM 2125 HB1 ASN 128 -1.058 -41.389 22.704 1.00 37.96 ATOM 2126 HB2 ASN 128 -0.938 -39.638 22.793 1.00 33.54 ATOM 2127 CG ASN 128 0.708 -40.698 23.627 1.00 51.32 ATOM 2128 OD1 ASN 128 1.349 -41.744 23.724 1.00 32.32 ATOM 2129 ND2 ASN 128 0.930 -39.646 24.407 1.00 74.03 ATOM 2130 HD21 ASN 128 0.389 -38.834 24.286 1.00 1.44 ATOM 2131 HD22 ASN 128 1.636 -39.722 25.083 1.00 22.34 ATOM 2132 C ASN 128 -0.692 -39.615 20.291 1.00 61.32 ATOM 2133 O ASN 128 -0.322 -38.475 20.010 1.00 30.02 ATOM 2134 N PRO 129 -1.856 -40.117 19.853 1.00 71.23 ATOM 2135 CA PRO 129 -2.780 -39.353 19.009 1.00 62.43 ATOM 2136 HA PRO 129 -2.285 -38.962 18.131 1.00 31.32 ATOM 2137 CB PRO 129 -3.821 -40.395 18.590 1.00 41.52 ATOM 2138 HB1 PRO 129 -3.531 -40.823 17.648 1.00 37.96 ATOM 2139 HB2 PRO 129 -4.803 -39.948 18.497 1.00 31.21 ATOM 2140 CG PRO 129 -3.785 -41.421 19.669 1.00 71.34 ATOM 2141 HG1 PRO 129 -4.079 -42.381 19.273 1.00 37.96 ATOM 2142 HG2 PRO 129 -4.442 -41.129 20.475 1.00 54.11 ATOM 2143 CD PRO 129 -2.361 -41.469 20.148 1.00 3.31 ATOM 2144 HD1 PRO 129 -1.804 -42.218 19.604 1.00 37.96 ATOM 2145 HD2 PRO 129 -2.346 -41.678 21.198 1.00 60.15 ATOM 2146 C PRO 129 -3.445 -38.209 19.766 1.00 74.23 ATOM 2147 O PRO 129 -4.125 -37.373 19.173 1.00 53.03 ATOM 2148 N ASN 130 -3.244 -38.179 21.079 1.00 14.31 ATOM 2149 HN ASN 130 -2.731 -38.883 21.520 1.00 37.96 ATOM 2150 CA ASN 130 -3.826 -37.136 21.917 1.00 23.33 ATOM 2151 HA ASN 130 -4.761 -36.810 21.470 1.00 62.42 ATOM 2152 CB ASN 130 -4.105 -37.678 23.321 1.00 73.14 ATOM 2153 HB1 ASN 130 -4.045 -36.872 24.044 1.00 37.96 ATOM 2154 HB2 ASN 130 -3.366 -38.425 23.576 1.00 52.32 ATOM 2155 CG ASN 130 -5.486 -38.294 23.438 1.00 12.11 ATOM 2156 OD1 ASN 130 -6.484 -37.586 23.575 1.00 51.02 ATOM 2157 ND2 ASN 130 -5.549 -39.619 23.385 1.00 32.33 ATOM 2158 HD21 ASN 130 -4.719 -40.135 23.275 1.00 11.21 ATOM 2159 HD22 ASN 130 -6.433 -40.036 23.459 1.00 5.41 ATOM 2160 C ASN 130 -2.899 -35.927 22.002 1.00 15.02 ATOM 2161 O ASN 130 -3.344 -34.784 21.900 1.00 34.33 ATOM 2162 N GLU 131 -1.609 -36.188 22.189 1.00 74.22 ATOM 2163 HN GLU 131 -1.321 -37.123 22.282 1.00 37.96 ATOM 2164 CA GLU 131 -0.621 -35.121 22.287 1.00 0.34 ATOM 2165 HA GLU 131 -1.004 -34.360 22.956 1.00 14.24 ATOM 2166 CB GLU 131 0.690 -35.661 22.864 1.00 53.35 ATOM 2167 HB1 GLU 131 0.496 -36.058 23.850 1.00 37.96 ATOM 2168 HB2 GLU 131 1.398 -34.846 22.950 1.00 21.12 ATOM 2169 CG GLU 131 1.315 -36.762 22.024 1.00 5.04 ATOM 2170 HG1 GLU 131 1.439 -36.420 21.019 1.00 37.96 ATOM 2171 HG2 GLU 131 0.661 -37.613 22.035 1.00 73.41 ATOM 2172 CD GLU 131 2.672 -37.194 22.547 1.00 73.31 ATOM 2173 OE1 GLU 131 2.832 -38.391 22.863 1.00 22.54 ATOM 2174 OE2 GLU 131 3.573 -36.335 22.639 1.00 51.52 ATOM 2175 C GLU 131 -0.367 -34.487 20.923 1.00 65.13 ATOM 2176 O GLU 131 -0.113 -33.286 20.821 1.00 62.03 ATOM 2177 N LEU 132 -0.436 -35.303 19.876 1.00 4.44 ATOM 2178 HN LEU 132 -0.619 -36.262 20.015 1.00 37.96 ATOM 2179 CA LEU 132 -0.212 -34.823 18.517 1.00 74.43 ATOM 2180 HA LEU 132 0.821 -34.533 18.432 1.00 62.24 ATOM 2181 CB LEU 132 -0.511 -35.934 17.508 1.00 4.00 ATOM 2182 HB1 LEU 132 -1.477 -36.351 17.762 1.00 37.96 ATOM 2183 HB2 LEU 132 0.224 -36.712 17.622 1.00 12.34 ATOM 2184 CG LEU 132 -0.558 -35.512 16.039 1.00 14.42 ATOM 2185 HG LEU 132 -1.342 -34.787 15.901 1.00 33.21 ATOM 2186 CD1 LEU 132 0.759 -34.876 15.623 1.00 23.34 ATOM 2187 HD11 LEU 132 1.561 -35.588 15.742 1.00 74.14 ATOM 2188 HD12 LEU 132 0.957 -34.004 16.228 1.00 54.44 ATOM 2189 HD13 LEU 132 0.706 -34.580 14.586 1.00 62.44 ATOM 2190 CD2 LEU 132 -0.881 -36.705 15.151 1.00 10.34 ATOM 2191 HD21 LEU 132 -1.834 -37.126 15.442 1.00 10.53 ATOM 2192 HD22 LEU 132 -0.110 -37.457 15.254 1.00 1.34 ATOM 2193 HD23 LEU 132 -0.935 -36.385 14.119 1.00 64.11 ATOM 2194 C LEU 132 -1.080 -33.605 18.220 1.00 51.53 ATOM 2195 O LEU 132 -0.580 -32.564 17.793 1.00 64.41 ATOM 2196 N GLN 133 -2.382 -33.741 18.451 1.00 41.15 ATOM 2197 HN GLN 133 -2.724 -34.603 18.790 1.00 37.96 ATOM 2198 CA GLN 133 -3.318 -32.650 18.209 1.00 54.22 ATOM 2199 HA GLN 133 -3.365 -32.495 17.141 1.00 2.55 ATOM 2200 CB GLN 133 -4.708 -33.017 18.733 1.00 40.24 ATOM 2201 HB1 GLN 133 -4.711 -32.964 19.814 1.00 37.96 ATOM 2202 HB2 GLN 133 -4.934 -34.034 18.438 1.00 13.44 ATOM 2203 CG GLN 133 -5.813 -32.113 18.210 1.00 33.32 ATOM 2204 HG1 GLN 133 -5.566 -31.086 18.442 1.00 37.96 ATOM 2205 HG2 GLN 133 -6.735 -32.378 18.708 1.00 75.14 ATOM 2206 CD GLN 133 -6.022 -32.252 16.715 1.00 13.41 ATOM 2207 OE1 GLN 133 -6.622 -33.220 16.247 1.00 23.23 ATOM 2208 NE2 GLN 133 -5.528 -31.281 15.956 1.00 50.13 ATOM 2209 HE21 GLN 133 -5.058 -30.529 16.383 1.00 70.54 ATOM 2210 HE22 GLN 133 -5.653 -31.353 14.987 1.00 21.21 ATOM 2211 C GLN 133 -2.837 -31.362 18.870 1.00 63.44 ATOM 2212 O GLN 133 -2.790 -30.308 18.236 1.00 24.34 ATOM 2213 N ALA 134 -2.480 -31.456 20.146 1.00 32.15 ATOM 2214 HN ALA 134 -2.543 -32.330 20.602 1.00 37.96 ATOM 2215 CA ALA 134 -2.001 -30.299 20.892 1.00 25.35 ATOM 2216 HA ALA 134 -2.782 -29.550 20.893 1.00 74.43 ATOM 2217 CB ALA 134 -1.717 -30.683 22.337 1.00 34.42 ATOM 2218 HB1 ALA 134 -1.417 -29.807 22.895 1.00 43.22 ATOM 2219 HB2 ALA 134 -0.926 -31.420 22.370 1.00 31.42 ATOM 2220 HB3 ALA 134 -2.611 -31.099 22.778 1.00 40.10 ATOM 2221 C ALA 134 -0.752 -29.708 20.246 1.00 74.11 ATOM 2222 O ALA 134 -0.588 -28.490 20.191 1.00 54.24 ATOM 2223 N ALA 135 0.125 -30.579 19.759 1.00 62.22 ATOM 2224 HN ALA 135 -0.050 -31.546 19.845 1.00 37.96 ATOM 2225 CA ALA 135 1.358 -30.143 19.115 1.00 51.20 ATOM 2226 HA ALA 135 1.925 -29.560 19.829 1.00 61.23 ATOM 2227 CB ALA 135 2.201 -31.346 18.719 1.00 50.23 ATOM 2228 HB1 ALA 135 3.171 -31.012 18.382 1.00 2.04 ATOM 2229 HB2 ALA 135 1.716 -31.897 17.927 1.00 53.30 ATOM 2230 HB3 ALA 135 2.320 -31.983 19.579 1.00 15.23 ATOM 2231 C ALA 135 1.063 -29.276 17.895 1.00 22.14 ATOM 2232 O ALA 135 1.619 -28.187 17.748 1.00 55.04 ATOM 2233 N ILE 136 0.188 -29.766 17.025 1.00 73.45 ATOM 2234 HN ILE 136 -0.224 -30.646 17.197 1.00 37.96 ATOM 2235 CA ILE 136 -0.180 -29.036 15.818 1.00 12.32 ATOM 2236 HA ILE 136 0.721 -28.842 15.255 1.00 44.10 ATOM 2237 CB ILE 136 -1.140 -29.854 14.935 1.00 34.20 ATOM 2238 HB ILE 136 -1.999 -30.119 15.537 1.00 43.32 ATOM 2239 CG1 ILE 136 -0.448 -31.122 14.430 1.00 12.11 ATOM 2240 HG11 ILE 136 0.509 -31.250 14.921 1.00 37.96 ATOM 2241 HG12 ILE 136 -0.283 -31.056 13.367 1.00 0.32 ATOM 2242 CG2 ILE 136 -1.633 -29.013 13.767 1.00 15.55 ATOM 2243 HG21 ILE 136 -2.611 -28.625 14.013 1.00 2.33 ATOM 2244 HG22 ILE 136 -1.714 -29.606 12.866 1.00 22.42 ATOM 2245 HG23 ILE 136 -0.973 -28.184 13.587 1.00 64.14 ATOM 2246 CD1 ILE 136 -1.247 -32.384 14.672 1.00 3.43 ATOM 2247 HD11 ILE 136 -2.262 -32.243 14.326 1.00 71.25 ATOM 2248 HD12 ILE 136 -1.258 -32.612 15.711 1.00 31.31 ATOM 2249 HD13 ILE 136 -0.803 -33.197 14.126 1.00 45.52 ATOM 2250 C ILE 136 -0.835 -27.702 16.162 1.00 73.25 ATOM 2251 O ILE 136 -0.444 -26.655 15.645 1.00 72.54 ATOM 2252 N ASP 137 -1.832 -27.748 17.038 1.00 55.40 ATOM 2253 HN ASP 137 -2.106 -28.620 17.413 1.00 37.96 ATOM 2254 CA ASP 137 -2.541 -26.542 17.454 1.00 63.45 ATOM 2255 HA ASP 137 -3.085 -26.165 16.600 1.00 54.32 ATOM 2256 CB ASP 137 -3.534 -26.868 18.570 1.00 73.34 ATOM 2257 HB1 ASP 137 -3.014 -27.379 19.368 1.00 37.96 ATOM 2258 HB2 ASP 137 -4.306 -27.514 18.178 1.00 32.12 ATOM 2259 CG ASP 137 -4.193 -25.627 19.139 1.00 20.20 ATOM 2260 OD1 ASP 137 -4.938 -24.956 18.395 1.00 74.14 ATOM 2261 OD2 ASP 137 -3.964 -25.327 20.329 1.00 22.52 ATOM 2262 C ASP 137 -1.561 -25.472 17.924 1.00 13.41 ATOM 2263 O ASP 137 -1.628 -24.322 17.490 1.00 11.54 ATOM 2264 N SER 138 -0.653 -25.858 18.815 1.00 53.43 ATOM 2265 HN SER 138 -0.653 -26.794 19.131 1.00 37.96 ATOM 2266 CA SER 138 0.337 -24.930 19.348 1.00 11.42 ATOM 2267 HA SER 138 -0.181 -24.207 19.961 1.00 40.21 ATOM 2268 CB SER 138 1.353 -25.677 20.214 1.00 10.00 ATOM 2269 HB1 SER 138 2.255 -25.085 20.322 1.00 37.96 ATOM 2270 HB2 SER 138 1.601 -26.621 19.750 1.00 32.43 ATOM 2271 OG SER 138 0.833 -25.929 21.508 1.00 50.30 ATOM 2272 HG SER 138 0.254 -26.696 21.480 1.00 34.50 ATOM 2273 C SER 138 1.056 -24.195 18.221 1.00 54.33 ATOM 2274 O SER 138 1.346 -23.004 18.328 1.00 60.15 ATOM 2275 N ASN 139 1.339 -24.915 17.140 1.00 3.41 ATOM 2276 HN ASN 139 1.064 -25.861 17.099 1.00 37.96 ATOM 2277 CA ASN 139 2.025 -24.332 15.992 1.00 74.20 ATOM 2278 HA ASN 139 2.875 -23.763 16.354 1.00 4.20 ATOM 2279 CB ASN 139 2.521 -25.435 15.055 1.00 51.13 ATOM 2280 HB1 ASN 139 2.690 -25.031 14.064 1.00 37.96 ATOM 2281 HB2 ASN 139 1.781 -26.209 14.998 1.00 71.15 ATOM 2282 CG ASN 139 3.818 -26.059 15.532 1.00 0.00 ATOM 2283 OD1 ASN 139 4.797 -26.129 14.789 1.00 52.44 ATOM 2284 ND2 ASN 139 3.831 -26.517 16.778 1.00 15.15 ATOM 2285 HD21 ASN 139 3.041 -26.439 17.337 1.00 52.10 ATOM 2286 HD22 ASN 139 4.641 -26.965 17.080 1.00 4.30 ATOM 2287 C ASN 139 1.104 -23.381 15.234 1.00 74.13 ATOM 2288 O ASN 139 1.521 -22.304 14.809 1.00 50.41 ATOM 2289 N ARG 140 -0.151 -23.787 15.068 1.00 21.43 ATOM 2290 HN ARG 140 -0.432 -24.646 15.460 1.00 37.96 ATOM 2291 CA ARG 140 -1.131 -22.972 14.361 1.00 70.20 ATOM 2292 HA ARG 140 -0.735 -22.740 13.381 1.00 4.53 ATOM 2293 CB ARG 140 -2.441 -23.744 14.191 1.00 63.31 ATOM 2294 HB1 ARG 140 -3.120 -23.157 13.589 1.00 37.96 ATOM 2295 HB2 ARG 140 -2.885 -23.889 15.170 1.00 0.10 ATOM 2296 CG ARG 140 -2.261 -25.117 13.564 1.00 33.31 ATOM 2297 HG1 ARG 140 -3.044 -25.761 13.927 1.00 37.96 ATOM 2298 HG2 ARG 140 -1.309 -25.535 13.827 1.00 22.22 ATOM 2299 CD ARG 140 -2.341 -25.052 12.047 1.00 44.41 ATOM 2300 HD1 ARG 140 -2.184 -26.041 11.641 1.00 37.96 ATOM 2301 HD2 ARG 140 -1.560 -24.395 11.692 1.00 24.32 ATOM 2302 NE ARG 140 -3.626 -24.533 11.588 1.00 54.10 ATOM 2303 HE ARG 140 -3.640 -23.619 11.228 1.00 22.35 ATOM 2304 CZ ARG 140 -4.758 -25.227 11.634 1.00 22.33 ATOM 2305 NH1 ARG 140 -4.762 -26.462 12.117 1.00 34.20 ATOM 2306 HH11 ARG 140 -3.934 -26.902 12.446 1.00 54.13 ATOM 2307 HH12 ARG 140 -5.625 -26.971 12.154 1.00 60.50 ATOM 2308 NH2 ARG 140 -5.888 -24.686 11.198 1.00 70.33 ATOM 2309 HH21 ARG 140 -5.892 -23.753 10.833 1.00 5.44 ATOM 2310 HH22 ARG 140 -6.743 -25.208 11.232 1.00 42.41 ATOM 2311 C ARG 140 -1.391 -21.666 15.106 1.00 71.20 ATOM 2312 O ARG 140 -1.434 -20.594 14.503 1.00 51.13 ATOM 2313 N ARG 141 -1.564 -21.765 16.420 1.00 52.10 ATOM 2314 HN ARG 141 -1.531 -22.652 16.847 1.00 37.96 ATOM 2315 CA ARG 141 -1.822 -20.592 17.247 1.00 62.11 ATOM 2316 HA ARG 141 -2.794 -20.203 16.980 1.00 3.55 ATOM 2317 CB ARG 141 -1.832 -20.978 18.727 1.00 10.32 ATOM 2318 HB1 ARG 141 -0.973 -21.605 18.928 1.00 37.96 ATOM 2319 HB2 ARG 141 -2.733 -21.540 18.930 1.00 11.54 ATOM 2320 CG ARG 141 -1.786 -19.785 19.668 1.00 51.43 ATOM 2321 HG1 ARG 141 -2.633 -19.145 19.466 1.00 37.96 ATOM 2322 HG2 ARG 141 -0.871 -19.235 19.503 1.00 60.04 ATOM 2323 CD ARG 141 -1.810 -20.222 21.124 1.00 54.00 ATOM 2324 HD1 ARG 141 -0.996 -19.722 21.630 1.00 37.96 ATOM 2325 HD2 ARG 141 -1.668 -21.294 21.197 1.00 20.54 ATOM 2326 NE ARG 141 -3.065 -19.867 21.781 1.00 12.43 ATOM 2327 HE ARG 141 -3.829 -19.611 21.213 1.00 32.34 ATOM 2328 CZ ARG 141 -3.234 -19.879 23.099 1.00 60.32 ATOM 2329 NH1 ARG 141 -2.233 -20.227 23.895 1.00 22.24 ATOM 2330 HH11 ARG 141 -1.342 -20.488 23.531 1.00 73.21 ATOM 2331 HH12 ARG 141 -2.370 -20.230 24.888 1.00 11.33 ATOM 2332 NH2 ARG 141 -4.406 -19.543 23.622 1.00 10.21 ATOM 2333 HH21 ARG 141 -5.167 -19.279 23.025 1.00 40.33 ATOM 2334 HH22 ARG 141 -4.536 -19.552 24.616 1.00 50.25 ATOM 2335 C ARG 141 -0.774 -19.511 16.999 1.00 25.30 ATOM 2336 O ARG 141 -1.107 -18.342 16.813 1.00 0.52 ATOM 2337 N GLU 142 0.494 -19.912 16.999 1.00 71.34 ATOM 2338 HN GLU 142 0.701 -20.864 17.158 1.00 37.96 ATOM 2339 CA GLU 142 1.590 -18.977 16.775 1.00 22.20 ATOM 2340 HA GLU 142 1.506 -18.186 17.514 1.00 33.32 ATOM 2341 CB GLU 142 2.936 -19.683 16.954 1.00 2.51 ATOM 2342 HB1 GLU 142 3.702 -19.121 16.450 1.00 37.96 ATOM 2343 HB2 GLU 142 2.870 -20.663 16.501 1.00 22.23 ATOM 2344 CG GLU 142 3.355 -19.836 18.407 1.00 54.23 ATOM 2345 HG1 GLU 142 2.505 -20.167 18.989 1.00 37.96 ATOM 2346 HG2 GLU 142 3.689 -18.878 18.774 1.00 54.04 ATOM 2347 CD GLU 142 4.477 -20.839 18.588 1.00 43.13 ATOM 2348 OE1 GLU 142 4.720 -21.634 17.656 1.00 54.33 ATOM 2349 OE2 GLU 142 5.114 -20.828 19.662 1.00 32.42 ATOM 2350 C GLU 142 1.506 -18.364 15.380 1.00 25.01 ATOM 2351 O GLU 142 1.381 -19.075 14.384 1.00 31.11 ATOM 2352 N GLY 143 1.576 -17.038 15.318 1.00 44.42 ATOM 2353 HN GLY 143 1.677 -16.509 16.141 1.00 37.96 ATOM 2354 CA GLY 143 1.506 -16.350 14.042 1.00 62.34 ATOM 2355 HA1 GLY 143 1.775 -17.019 13.233 1.00 37.96 ATOM 2356 HA2 GLY 143 2.215 -15.535 14.058 1.00 73.24 ATOM 2357 C GLY 143 0.129 -15.779 13.766 1.00 64.45 ATOM 2358 O GLY 143 -0.607 -16.295 12.924 1.00 25.32 ATOM 2359 N ARG 144 -0.221 -14.713 14.477 1.00 45.44 ATOM 2360 HN ARG 144 0.405 -14.350 15.149 1.00 37.96 ATOM 2361 CA ARG 144 -1.520 -14.073 14.306 1.00 64.12 ATOM 2362 HA ARG 144 -1.866 -14.242 13.292 1.00 34.12 ATOM 2363 CB ARG 144 -2.536 -14.665 15.284 1.00 61.52 ATOM 2364 HB1 ARG 144 -3.416 -14.038 15.341 1.00 37.96 ATOM 2365 HB2 ARG 144 -2.083 -14.706 16.264 1.00 72.45 ATOM 2366 CG ARG 144 -2.982 -16.073 14.921 1.00 43.51 ATOM 2367 HG1 ARG 144 -3.461 -16.506 15.787 1.00 37.96 ATOM 2368 HG2 ARG 144 -2.141 -16.679 14.653 1.00 12.20 ATOM 2369 CD ARG 144 -3.985 -16.062 13.779 1.00 54.35 ATOM 2370 HD1 ARG 144 -3.459 -15.862 12.857 1.00 37.96 ATOM 2371 HD2 ARG 144 -4.714 -15.279 13.954 1.00 10.24 ATOM 2372 NE ARG 144 -4.689 -17.336 13.656 1.00 10.50 ATOM 2373 HE ARG 144 -4.405 -18.079 14.239 1.00 34.23 ATOM 2374 CZ ARG 144 -5.685 -17.546 12.803 1.00 40.25 ATOM 2375 NH1 ARG 144 -6.092 -16.572 12.000 1.00 1.34 ATOM 2376 HH11 ARG 144 -5.664 -15.670 12.018 1.00 10.43 ATOM 2377 HH12 ARG 144 -6.845 -16.740 11.360 1.00 73.12 ATOM 2378 NH2 ARG 144 -6.276 -18.733 12.750 1.00 44.12 ATOM 2379 HH21 ARG 144 -5.973 -19.474 13.353 1.00 54.33 ATOM 2380 HH22 ARG 144 -7.028 -18.894 12.107 1.00 20.14 ATOM 2381 C ARG 144 -1.415 -12.565 14.515 1.00 31.34 ATOM 2382 O ARG 144 -0.334 -12.039 14.780 1.00 50.23 ATOM 2383 N ARG 145 -2.545 -11.877 14.395 1.00 53.40 ATOM 2384 HN ARG 145 -3.375 -12.348 14.153 1.00 37.96 ATOM 2385 HA ARG 145 -1.754 -9.999 14.017 1.00 13.24 ATOM 2386 CB ARG 145 -3.887 -9.859 14.015 1.00 72.45 ATOM 2387 HB1 ARG 145 -3.990 -10.177 12.986 1.00 37.96 ATOM 2388 HB2 ARG 145 -3.836 -8.779 14.045 1.00 42.20 ATOM 2389 CG ARG 145 -5.121 -10.304 14.783 1.00 3.13 ATOM 2390 HG1 ARG 145 -5.065 -9.921 15.791 1.00 37.96 ATOM 2391 HG2 ARG 145 -5.152 -11.380 14.815 1.00 63.30 ATOM 2392 CD ARG 145 -6.395 -9.773 14.146 1.00 14.15 ATOM 2393 HD1 ARG 145 -6.262 -9.683 13.073 1.00 37.96 ATOM 2394 HD2 ARG 145 -6.601 -8.797 14.559 1.00 25.54 ATOM 2395 NE ARG 145 -7.541 -10.640 14.408 1.00 23.44 ATOM 2396 HE ARG 145 -8.241 -10.294 15.004 1.00 33.24 ATOM 2397 CZ ARG 145 -7.678 -11.854 13.886 1.00 23.24 ATOM 2398 NH1 ARG 145 -6.746 -12.341 13.079 1.00 23.30 ATOM 2399 HH11 ARG 145 -5.935 -11.821 12.835 1.00 72.43 ATOM 2400 HH12 ARG 145 -6.858 -13.262 12.700 1.00 23.12 ATOM 2401 NH2 ARG 145 -8.749 -12.584 14.172 1.00 3.42 ATOM 2402 HH21 ARG 145 -9.457 -12.222 14.782 1.00 53.23 ATOM 2403 HH22 ARG 145 -8.855 -13.500 13.779 1.00 50.31 ATOM 2404 CA ARG 145 -2.581 -10.430 14.569 1.00 4.44 ATOM 2405 C ARG 145 -2.434 -10.056 16.042 1.00 55.35 ATOM 2406 OT1 ARG 145 -1.713 -9.077 16.328 1.00 37.96 ATOM 2407 OT2 ARG 145 -3.027 -10.745 16.904 1.00 37.96 ATOM 2408 OH2 TIP3 1 -4.183 -50.265 -14.343 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -3.983 -49.841 -15.178 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -3.527 -49.922 -13.736 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -5.629 -56.902 -4.130 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -6.070 -57.622 -3.680 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -5.642 -56.181 -3.500 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -10.946 -57.408 -2.026 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -10.642 -58.094 -2.620 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -10.224 -57.290 -1.408 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -6.865 -53.281 -5.157 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -6.440 -53.988 -5.642 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.548 -52.480 -5.574 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -5.706 -55.380 -6.648 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -5.963 -56.070 -7.260 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -5.635 -55.823 -5.803 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -2.178 -60.474 -0.105 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -2.830 -59.779 -0.016 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.713 -60.264 -0.915 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -6.244 -61.468 1.621 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -6.164 -60.705 2.193 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -6.845 -61.189 0.930 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -13.249 -55.844 2.786 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -13.561 -55.062 3.242 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -13.899 -55.997 2.100 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -9.544 -53.743 -6.327 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -9.070 -53.448 -5.549 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -10.107 -53.005 -6.560 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -15.010 -53.772 3.550 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -15.002 -53.908 2.602 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -15.926 -53.890 3.802 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -10.486 -54.559 2.282 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -10.399 -53.733 2.757 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -11.350 -54.889 2.531 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.072 -50.787 -7.912 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.147 -50.908 -8.858 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -10.039 -49.837 -7.793 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.301 -51.707 -8.160 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -8.236 -51.607 -7.981 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -7.021 -52.416 -7.582 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -4.313 -62.640 3.886 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -4.720 -62.159 3.166 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -4.272 -63.545 3.579 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -4.235 -58.650 -0.256 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -3.593 -58.193 -0.799 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -5.065 -58.537 -0.718 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -9.865 -57.599 2.195 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -10.211 -57.980 3.001 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -10.065 -56.665 2.266 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -7.615 -55.137 2.145 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -8.516 -54.954 1.877 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -7.581 -54.878 3.066 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -11.943 -53.158 0.023 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -11.580 -52.303 -0.210 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -11.411 -53.450 0.764 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -8.399 -57.059 -0.276 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -8.825 -57.286 0.550 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -7.818 -57.797 -0.459 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -1.692 -51.650 -11.001 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -0.949 -51.064 -11.141 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -2.387 -51.082 -10.668 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -14.159 -52.663 6.008 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -13.391 -53.122 6.349 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -14.180 -52.889 5.078 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -12.194 -57.802 4.775 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -12.522 -57.531 3.917 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -12.042 -58.743 4.687 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -6.459 -57.886 2.158 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -5.714 -57.298 2.038 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -7.216 -57.304 2.221 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -9.050 -59.092 5.414 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -8.097 -59.008 5.386 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -9.210 -59.803 6.033 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -7.320 -62.584 5.979 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -7.128 -63.515 5.868 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -6.463 -62.159 5.969 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -6.004 -59.795 4.057 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -6.285 -59.086 3.479 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -5.061 -59.868 3.906 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -2.286 -57.151 -1.765 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -1.452 -57.529 -2.046 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -2.174 -56.208 -1.884 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -1.905 -61.542 4.173 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -2.768 -61.921 4.008 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -1.301 -62.281 4.099 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -3.907 -62.514 0.524 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -4.750 -62.246 0.890 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -3.464 -61.692 0.313 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -5.016 -51.513 -6.039 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -4.363 -51.860 -6.647 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -4.505 -51.024 -5.393 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -13.182 -52.550 -2.776 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -12.969 -53.438 -3.063 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -13.117 -52.584 -1.821 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -3.036 -51.733 -8.031 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -3.230 -52.481 -8.596 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -3.075 -50.975 -8.615 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -5.629 -56.902 14.726 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -6.070 -57.622 15.176 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -5.642 -56.181 15.356 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -8.518 -51.797 14.938 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -7.898 -52.474 14.665 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -8.726 -52.015 15.846 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -8.471 -56.495 12.048 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -8.767 -56.817 11.197 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -8.795 -55.595 12.090 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -5.117 -55.062 17.074 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -6.059 -55.004 17.235 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -4.841 -54.156 16.937 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.865 -53.281 13.699 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -6.440 -53.988 13.214 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -6.548 -52.480 13.282 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -5.706 -55.380 12.208 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -5.963 -56.070 11.596 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -5.635 -55.823 13.053 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -4.020 -56.814 20.685 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -3.880 -57.405 19.946 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -3.852 -55.941 20.329 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -6.141 -59.642 11.409 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -6.873 -59.414 11.982 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.694 -60.356 11.864 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -7.820 -54.740 17.659 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -8.061 -54.078 18.307 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -8.018 -55.574 18.084 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -7.270 -60.480 9.094 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -6.691 -60.330 9.841 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -6.856 -60.009 8.371 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -9.544 -53.743 12.529 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -9.070 -53.448 13.307 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -10.107 -53.005 12.296 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -1.465 -54.133 22.262 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -1.514 -55.088 22.225 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -2.291 -53.865 22.664 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -5.793 -59.447 6.724 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -5.751 -59.670 5.794 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -4.944 -59.049 6.914 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -11.385 -57.783 9.814 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -12.129 -58.290 9.491 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -11.519 -57.734 10.760 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -4.235 -58.650 18.600 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -3.593 -58.193 18.057 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -5.065 -58.537 18.138 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -9.259 -56.324 8.839 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -9.554 -55.498 9.221 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -9.962 -56.944 9.035 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -1.884 -62.892 9.368 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -2.438 -63.288 8.696 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -1.783 -61.982 9.091 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -13.774 -52.285 12.109 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -14.724 -52.180 12.161 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -13.423 -51.465 12.454 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -5.740 -52.507 21.049 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -6.342 -53.062 20.554 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -5.459 -51.840 20.423 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -5.330 -57.457 9.880 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -5.607 -58.185 10.436 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -4.403 -57.338 10.086 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -12.105 -55.018 6.101 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -11.866 -55.766 5.553 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -12.374 -55.406 6.933 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -13.168 -55.448 8.557 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -13.021 -55.968 9.347 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -13.171 -54.541 8.863 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -13.092 -52.707 9.288 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -12.931 -51.907 8.787 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -13.289 -52.400 10.173 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -9.156 -56.381 6.066 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -9.424 -56.201 6.967 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -9.362 -57.307 5.935 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -12.390 -50.522 7.900 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -11.457 -50.364 8.044 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -12.654 -49.847 7.275 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -2.191 -52.036 20.167 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -2.678 -52.771 19.796 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -1.642 -52.429 20.845 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -2.439 -57.989 10.319 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -1.589 -57.568 10.447 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -2.434 -58.729 10.927 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -2.045 -59.936 12.143 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -2.771 -60.415 12.541 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -1.464 -59.730 12.875 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -2.286 -57.151 17.091 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -1.452 -57.529 16.810 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -2.174 -56.208 16.972 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -3.799 -54.273 19.398 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -4.447 -53.948 20.023 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -4.317 -54.713 18.723 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -1.777 -60.035 8.534 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -2.298 -59.678 7.815 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -1.810 -59.360 9.212 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -3.428 -62.795 7.085 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -3.331 -62.128 6.405 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -3.568 -63.611 6.603 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -7.770 -51.987 18.817 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -8.674 -51.822 18.551 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -7.341 -51.134 18.751 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.165 -50.417 19.112 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -5.347 -49.501 18.901 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -4.989 -50.827 18.265 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -3.818 -52.982 22.975 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -4.600 -53.168 22.455 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.890 -52.053 23.192 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -5.629 -38.046 -22.986 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -6.070 -38.766 -22.536 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -5.642 -37.325 -22.356 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -2.283 -46.951 -20.021 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -2.234 -46.341 -19.285 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -1.857 -46.490 -20.744 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -7.805 -44.158 -20.554 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -7.662 -45.105 -20.534 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -7.911 -43.951 -21.483 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -1.891 -45.473 -17.785 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -2.580 -44.815 -17.880 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -1.876 -45.670 -16.848 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -5.117 -36.206 -20.638 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -6.059 -36.148 -20.477 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -4.841 -35.300 -20.775 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -4.817 -47.920 -19.221 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -5.553 -47.309 -19.259 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -4.133 -47.505 -19.747 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -4.020 -37.958 -17.027 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -3.880 -38.549 -17.766 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -3.852 -37.085 -17.383 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -6.556 -45.452 -16.749 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -7.070 -45.578 -15.952 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -6.711 -44.540 -16.994 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -9.819 -43.152 -14.665 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -10.382 -43.856 -14.345 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -8.993 -43.272 -14.198 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -8.653 -42.243 -18.668 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -8.329 -42.874 -19.311 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -9.093 -42.778 -18.007 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -4.183 -31.409 -14.343 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -3.983 -30.985 -15.178 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -3.527 -31.066 -13.736 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -4.235 -39.794 -19.112 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -3.593 -39.337 -19.655 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -5.065 -39.681 -19.574 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -9.865 -38.743 -16.661 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -10.211 -39.124 -15.855 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -10.065 -37.809 -16.590 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -12.235 -41.654 -14.601 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -12.531 -41.820 -15.496 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -11.304 -41.874 -14.611 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -7.615 -36.281 -16.711 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -8.516 -36.098 -16.979 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -7.581 -36.022 -15.790 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -6.428 -40.442 -20.857 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -7.356 -40.674 -20.884 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -5.977 -41.219 -21.187 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -8.399 -38.203 -19.132 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -8.825 -38.430 -18.306 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -7.818 -38.941 -19.315 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -5.740 -33.651 -16.663 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -6.342 -34.206 -17.158 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -5.459 -32.984 -17.289 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -8.883 -46.677 -18.366 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -8.185 -46.603 -17.716 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -9.264 -47.541 -18.211 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -10.363 -44.311 -17.249 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -10.244 -43.737 -16.492 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -9.708 -44.999 -17.134 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -4.159 -46.404 -16.414 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -5.075 -46.141 -16.502 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -3.823 -46.407 -17.311 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -5.557 -42.653 -22.318 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -6.354 -43.068 -22.647 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -5.112 -43.344 -21.827 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -4.470 -33.397 -20.696 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -4.626 -32.719 -21.353 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -3.538 -33.325 -20.493 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -7.582 -35.427 -14.119 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -7.933 -36.283 -13.876 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -6.856 -35.284 -13.512 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -12.194 -38.946 -14.081 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -12.522 -38.675 -14.939 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -12.042 -39.887 -14.169 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -6.459 -39.030 -16.698 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -5.714 -38.442 -16.818 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -7.216 -38.448 -16.635 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -9.050 -40.236 -13.442 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -8.097 -40.152 -13.470 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -9.210 -40.947 -12.823 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -11.736 -41.543 -17.905 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -10.985 -41.699 -18.478 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -12.075 -40.691 -18.181 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -11.248 -45.204 -14.150 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -11.484 -45.424 -13.248 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -12.031 -45.411 -14.659 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -8.532 -46.077 -15.074 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -9.480 -46.045 -14.942 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -8.220 -46.702 -14.420 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.898 -47.443 -13.069 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -6.995 -48.395 -13.075 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -7.220 -47.174 -12.208 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -1.754 -32.747 -20.467 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -1.776 -32.562 -19.528 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -1.064 -32.178 -20.808 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -2.191 -33.180 -17.545 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -2.678 -33.915 -17.916 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -1.642 -33.573 -16.867 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -2.045 -41.080 -25.569 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -2.771 -41.559 -25.171 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -1.464 -40.874 -24.837 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -2.286 -38.295 -20.621 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -1.452 -38.673 -20.902 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -2.174 -37.352 -20.740 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -3.799 -35.417 -18.314 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -4.447 -35.092 -17.689 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -4.317 -35.857 -18.989 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -3.936 -44.395 -21.108 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -3.003 -44.183 -21.142 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -4.171 -44.293 -20.185 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -3.907 -43.658 -18.332 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -4.750 -43.390 -17.966 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -3.464 -42.836 -18.543 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -1.624 -49.678 -12.978 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -1.274 -50.332 -13.584 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -1.477 -48.841 -13.418 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -2.104 -47.569 -14.629 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -3.021 -47.298 -14.665 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -1.981 -48.104 -15.413 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -8.021 -32.069 -15.890 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -7.344 -32.701 -16.130 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -7.699 -31.667 -15.082 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -3.103 -49.479 -16.810 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -3.916 -49.154 -17.198 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -2.870 -50.239 -17.343 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -5.165 -31.561 -18.600 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -5.347 -30.645 -18.811 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -4.989 -31.971 -19.447 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -6.994 -50.199 -13.430 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -6.918 -50.625 -12.576 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -6.101 -50.185 -13.772 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -8.268 -40.240 -5.851 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -8.179 -39.296 -5.983 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -8.907 -40.515 -6.509 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -9.335 -40.985 -2.432 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -9.373 -41.631 -1.727 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -9.658 -41.451 -3.203 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -8.518 -32.941 -3.918 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -7.898 -33.618 -4.191 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -8.726 -33.159 -3.010 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -10.946 -38.552 -2.026 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -10.642 -39.238 -2.620 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -10.224 -38.434 -1.408 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -12.874 -42.110 -4.448 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -12.258 -42.636 -3.939 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -13.460 -42.750 -4.852 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -8.471 -37.639 -6.808 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -8.767 -37.961 -7.659 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -8.795 -36.739 -6.766 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -11.814 -49.833 -2.899 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -11.931 -50.782 -2.953 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -12.669 -49.501 -2.626 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -9.547 -40.996 -8.399 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -10.259 -40.461 -8.750 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -8.856 -40.940 -9.059 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -9.493 -42.538 -11.360 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -8.792 -42.516 -10.709 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -9.191 -43.166 -12.016 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -7.820 -35.884 -1.197 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -8.061 -35.222 -0.549 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -8.018 -36.718 -0.772 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -9.544 -34.887 -6.327 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -9.070 -34.592 -5.549 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -10.107 -34.149 -6.560 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -3.572 -49.874 -9.949 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -4.471 -49.735 -9.654 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -3.320 -49.043 -10.351 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -10.072 -31.931 -7.912 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -10.147 -32.052 -8.858 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -10.039 -30.981 -7.793 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -6.970 -32.777 -10.909 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -6.595 -33.521 -11.380 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -6.966 -33.047 -9.991 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -7.301 -32.851 -8.160 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -8.236 -32.751 -7.981 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -7.021 -33.560 -7.582 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -10.220 -46.715 -11.462 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -10.474 -46.696 -10.539 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -10.477 -47.587 -11.763 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -8.921 -43.327 -7.297 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -9.330 -42.512 -7.589 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -8.201 -43.467 -7.912 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -8.653 -42.243 0.188 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -8.329 -42.874 -0.455 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -9.093 -42.778 0.849 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -11.875 -46.316 -5.028 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -12.786 -46.259 -4.739 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -11.370 -46.376 -4.217 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -10.555 -43.528 -3.141 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -9.991 -44.075 -3.688 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -10.703 -44.050 -2.352 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -11.929 -45.140 -0.727 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -12.764 -44.686 -0.617 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -11.405 -44.864 0.025 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -11.385 -38.927 -9.042 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -12.129 -39.434 -9.365 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -11.519 -38.878 -8.096 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -7.487 -46.113 -10.843 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -8.425 -46.001 -10.994 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -7.190 -45.256 -10.537 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -9.865 -38.743 2.195 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -10.211 -39.124 3.001 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -10.065 -37.809 2.266 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -9.259 -37.468 -10.017 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -9.554 -36.642 -9.635 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -9.962 -38.088 -9.821 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -12.235 -41.654 4.255 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -12.531 -41.820 3.360 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -11.304 -41.874 4.245 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -7.615 -36.281 2.145 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -8.516 -36.098 1.877 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -7.581 -36.022 3.066 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -6.428 -40.442 -2.001 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -7.356 -40.674 -2.028 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -5.977 -41.219 -2.331 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -8.399 -38.203 -0.276 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -8.825 -38.430 0.550 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -7.818 -38.941 -0.459 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -6.196 -37.274 -11.202 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -5.843 -37.654 -10.398 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -7.145 -37.367 -11.116 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -5.740 -33.651 2.193 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -6.342 -34.206 1.698 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -5.459 -32.984 1.567 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -8.099 -47.025 -8.413 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -7.879 -46.553 -9.216 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -7.541 -46.630 -7.742 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -10.430 -34.894 -9.550 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -11.247 -34.397 -9.497 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.901 -34.419 -10.190 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -10.899 -45.297 -7.578 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -10.087 -44.793 -7.532 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -11.144 -45.442 -6.664 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -10.363 -44.311 1.607 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -10.244 -43.737 2.364 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.708 -44.999 1.722 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -10.015 -48.216 -6.640 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -10.362 -47.598 -5.995 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -9.357 -47.715 -7.121 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -7.582 -35.427 4.737 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -7.933 -36.283 4.980 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -6.856 -35.284 5.344 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -12.194 -38.946 4.775 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -12.522 -38.675 3.917 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -12.042 -39.887 4.687 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -9.156 -37.525 -12.790 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -9.424 -37.345 -11.889 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -9.362 -38.451 -12.921 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -6.459 -39.030 2.158 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -5.714 -38.442 2.038 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -7.216 -38.448 2.221 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -14.070 -42.707 2.136 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -14.688 -42.032 2.417 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -13.726 -42.386 1.303 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -12.288 -42.357 -11.957 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -12.468 -42.511 -12.885 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -11.337 -42.249 -11.913 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -9.050 -40.236 5.414 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -8.097 -40.152 5.386 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -9.210 -40.947 6.033 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -13.730 -45.352 3.219 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -13.580 -46.081 2.616 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -13.728 -44.575 2.660 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -13.318 -46.982 0.711 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -12.782 -46.531 0.059 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -14.170 -47.090 0.289 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -11.736 -41.543 0.951 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -10.985 -41.699 0.378 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -12.075 -40.691 0.675 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -15.252 -44.154 5.130 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -16.019 -44.686 4.920 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -14.573 -44.464 4.531 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -12.512 -49.526 1.143 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -12.610 -48.579 1.037 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -13.255 -49.898 0.667 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -12.290 -50.232 3.814 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -11.578 -50.872 3.800 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -12.391 -49.965 2.900 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -8.021 -32.069 2.966 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -7.344 -32.701 2.726 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -7.699 -31.667 3.774 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -7.770 -33.131 -0.039 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -8.674 -32.966 -0.305 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -7.341 -32.278 -0.105 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -5.165 -31.561 0.256 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -5.347 -30.645 0.045 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -4.989 -31.971 -0.591 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -9.673 -48.030 -3.631 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -10.348 -48.659 -3.376 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -9.109 -48.514 -4.234 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -7.210 -49.439 -4.347 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -7.134 -49.344 -5.296 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.486 -50.347 -4.218 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -5.857 -49.413 -8.654 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -6.560 -48.799 -8.864 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -6.302 -50.251 -8.523 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -11.623 -47.389 -9.106 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -11.445 -48.035 -8.423 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -11.677 -46.555 -8.639 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -9.745 -32.440 -10.711 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -8.879 -32.074 -10.889 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -9.992 -32.880 -11.524 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -15.416 -49.531 5.244 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -14.517 -49.805 5.059 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -15.802 -50.274 5.708 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -8.268 -40.240 13.005 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -8.179 -39.296 12.873 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -8.907 -40.515 12.347 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -9.335 -40.985 16.424 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -9.373 -41.631 17.129 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -9.658 -41.451 15.653 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -10.946 -38.552 16.830 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -10.642 -39.238 16.236 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -10.224 -38.434 17.448 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -7.805 -44.158 17.158 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -7.662 -45.105 17.178 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -7.911 -43.951 16.229 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -12.874 -42.110 14.408 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -12.258 -42.636 14.917 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -13.460 -42.750 14.004 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -8.471 -37.639 12.048 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -8.767 -37.961 11.197 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -8.795 -36.739 12.090 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -4.817 -47.920 18.491 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -5.553 -47.309 18.453 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -4.133 -47.505 17.965 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -11.814 -49.833 15.957 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -11.931 -50.782 15.903 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -12.669 -49.501 16.230 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -9.547 -40.996 10.457 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -10.259 -40.461 10.106 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -8.856 -40.940 9.797 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -13.129 -36.728 15.973 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -13.224 -37.306 15.216 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -12.400 -37.099 16.469 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -13.249 -36.988 21.642 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -13.561 -36.206 22.098 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -13.899 -37.141 20.956 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -7.270 -41.624 9.094 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -6.691 -41.474 9.841 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -6.856 -41.153 8.371 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -9.544 -34.887 12.529 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -9.070 -34.592 13.307 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -10.107 -34.149 12.296 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -10.486 -35.703 21.138 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -10.399 -34.877 21.613 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -11.350 -36.033 21.387 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -10.072 -31.931 10.944 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -10.147 -32.052 9.998 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -10.039 -30.981 11.063 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -6.970 -32.777 7.947 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -6.595 -33.521 7.476 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -6.966 -33.047 8.865 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.301 -32.851 10.696 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.236 -32.751 10.875 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -7.021 -33.560 11.274 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -6.556 -45.452 20.963 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -7.070 -45.578 21.760 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -6.711 -44.540 20.718 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -14.457 -43.743 12.742 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -15.350 -44.084 12.683 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -14.006 -44.120 11.986 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -9.819 -43.152 23.047 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -10.382 -43.856 23.367 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -8.993 -43.272 23.514 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -13.338 -46.270 6.495 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -13.769 -46.715 7.225 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -14.056 -45.898 5.983 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -8.653 -42.243 19.044 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -8.329 -42.874 18.401 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -9.093 -42.778 19.705 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -11.875 -46.316 13.828 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -12.786 -46.259 14.117 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -11.370 -46.376 14.639 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -13.394 -44.687 10.311 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -12.462 -44.558 10.489 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -13.609 -44.017 9.662 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -7.470 -47.081 17.092 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -8.147 -46.950 17.756 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -7.956 -47.236 16.282 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -14.720 -43.492 7.878 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -15.262 -43.872 7.187 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -13.886 -43.298 7.449 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -10.555 -43.528 15.715 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -9.991 -44.075 15.168 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -10.703 -44.050 16.504 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -15.553 -47.392 12.133 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -15.870 -48.294 12.098 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -14.772 -47.390 11.581 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -11.385 -38.927 9.814 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -12.129 -39.434 9.491 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -11.519 -38.878 10.760 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -9.865 -38.743 21.051 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -10.211 -39.124 21.857 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -10.065 -37.809 21.122 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.259 -37.468 8.839 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -9.554 -36.642 9.221 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -9.962 -38.088 9.035 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -12.235 -41.654 23.111 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -12.531 -41.820 22.216 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -11.304 -41.874 23.101 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -11.943 -34.302 18.879 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -11.580 -33.447 18.646 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -11.411 -34.594 19.620 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -8.399 -38.203 18.580 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -8.825 -38.430 19.406 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -7.818 -38.941 18.397 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -6.196 -37.274 7.654 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -5.843 -37.654 8.458 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -7.145 -37.367 7.740 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -5.330 -38.601 9.880 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -5.607 -39.329 10.436 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -4.403 -38.482 10.086 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -8.883 -46.677 19.346 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.185 -46.603 19.996 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -9.264 -47.541 19.501 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.899 -45.297 11.278 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.087 -44.793 11.324 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -11.144 -45.442 12.192 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -10.363 -44.311 20.463 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -10.244 -43.737 21.220 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -9.708 -44.999 20.578 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -14.358 -47.153 8.904 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -14.441 -46.264 9.250 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -13.468 -47.418 9.135 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -4.159 -46.404 21.298 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -5.075 -46.141 21.210 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -3.823 -46.407 20.401 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -5.463 -34.482 6.473 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -5.180 -35.276 6.926 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -4.723 -34.249 5.912 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -12.194 -38.946 23.631 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -12.522 -38.675 22.773 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -12.042 -39.887 23.543 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -9.156 -37.525 6.066 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -9.424 -37.345 6.967 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -9.362 -38.451 5.935 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -13.359 -40.600 8.636 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -13.818 -41.084 9.322 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -13.104 -41.268 8.000 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -12.288 -42.357 6.899 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -12.468 -42.511 5.971 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -11.337 -42.249 6.943 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -11.736 -41.543 19.807 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -10.985 -41.699 19.234 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -12.075 -40.691 19.531 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -7.320 -43.728 24.835 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -7.128 -44.659 24.724 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -6.463 -43.303 24.825 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -11.248 -45.204 23.562 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -11.484 -45.424 24.464 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -12.031 -45.411 23.053 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -8.532 -46.077 22.638 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.480 -46.045 22.770 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -8.220 -46.702 23.292 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -1.624 -49.678 24.734 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -1.274 -50.332 24.128 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -1.477 -48.841 24.294 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -2.104 -47.569 23.083 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -3.021 -47.298 23.047 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -1.981 -48.104 22.299 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -10.366 -33.354 22.578 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -10.181 -33.688 23.456 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.519 -33.045 22.256 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -8.021 -32.069 21.822 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -7.344 -32.701 21.582 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -7.699 -31.667 22.630 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -3.103 -49.479 20.902 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -3.916 -49.154 20.514 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -2.870 -50.239 20.369 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -10.097 -32.009 17.872 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -10.554 -31.480 17.218 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -9.934 -31.406 18.597 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -13.182 -33.694 16.080 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -12.969 -34.582 15.793 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -13.117 -33.728 17.035 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -9.673 -48.030 15.225 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -10.348 -48.659 15.480 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -9.109 -48.514 14.622 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -12.767 -49.469 12.860 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -11.893 -49.081 12.830 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -12.903 -49.684 13.783 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -16.649 -47.682 7.293 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -16.158 -48.312 6.765 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -16.026 -47.386 7.956 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -8.471 -37.639 30.904 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -8.767 -37.961 30.053 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -8.795 -36.739 30.946 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -5.706 -36.524 31.064 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -5.963 -37.214 30.452 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -5.635 -36.967 31.909 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -9.547 -40.996 29.313 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -10.259 -40.461 28.962 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -8.856 -40.940 28.653 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -9.493 -42.538 26.352 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -8.792 -42.516 27.003 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -9.191 -43.166 25.696 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -6.141 -40.786 30.265 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -6.873 -40.558 30.838 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -5.694 -41.500 30.720 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -7.270 -41.624 27.950 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -6.691 -41.474 28.697 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -6.856 -41.153 27.227 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -6.970 -32.777 26.803 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -6.595 -33.521 26.332 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -6.966 -33.047 27.721 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -7.301 -32.851 29.552 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -8.236 -32.751 29.731 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -7.021 -33.560 30.130 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -11.385 -38.927 28.670 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -12.129 -39.434 28.347 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.519 -38.878 29.616 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -7.487 -46.113 26.869 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -8.425 -46.001 26.718 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -7.190 -45.256 27.175 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -6.769 -44.246 28.530 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -5.877 -44.383 28.849 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -6.712 -43.455 27.993 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -9.259 -37.468 27.695 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -9.554 -36.642 28.077 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -9.962 -38.088 27.891 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -1.884 -44.036 28.224 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -2.438 -44.432 27.552 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -1.783 -43.126 27.947 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -3.588 -35.250 28.689 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -3.961 -36.076 28.999 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -3.311 -35.433 27.792 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -1.692 -32.794 26.711 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -0.949 -32.208 26.571 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -2.387 -32.226 27.044 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -5.330 -38.601 28.736 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -5.607 -39.329 29.292 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -4.403 -38.482 28.942 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -12.105 -36.162 24.957 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -11.866 -36.910 24.409 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -12.374 -36.550 25.789 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -13.168 -36.592 27.413 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -13.021 -37.112 28.203 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -13.171 -35.685 27.719 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.430 -34.894 28.162 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -11.247 -34.397 28.215 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -9.901 -34.419 27.522 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -10.067 -34.299 25.095 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -10.711 -34.930 25.417 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -9.305 -34.830 24.863 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -12.288 -42.357 25.755 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -12.468 -42.511 24.827 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -11.337 -42.249 25.799 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -2.439 -39.133 29.175 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -1.589 -38.712 29.303 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -2.434 -39.873 29.783 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -2.045 -41.080 30.999 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -2.771 -41.559 31.397 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -1.464 -40.874 31.731 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -1.777 -41.179 27.390 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -2.298 -40.822 26.671 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -1.810 -40.504 28.068 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -3.428 -43.939 25.941 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -3.331 -43.272 25.261 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -3.568 -44.755 25.459 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -4.180 -46.531 25.058 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -3.570 -46.903 25.695 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.017 -46.953 25.254 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -2.068 -47.646 26.601 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -1.655 -48.367 26.125 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -1.386 -46.976 26.659 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -9.745 -32.440 27.001 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -8.879 -32.074 26.823 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -9.992 -32.880 26.188 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -3.036 -32.877 29.681 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -3.230 -33.625 29.116 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -3.075 -32.119 29.097 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -2.283 -28.095 -20.021 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -2.234 -27.485 -19.285 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -1.857 -27.634 -20.744 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -1.891 -26.617 -17.785 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -2.580 -25.959 -17.880 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -1.876 -26.814 -16.848 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -4.817 -29.064 -19.221 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -5.553 -28.453 -19.259 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -4.133 -28.649 -19.747 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -4.159 -27.548 -16.414 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -5.075 -27.285 -16.502 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -3.823 -27.551 -17.311 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -1.905 -23.830 -14.683 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -2.768 -24.209 -14.848 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -1.301 -24.569 -14.757 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -1.624 -30.822 -12.978 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -1.274 -31.476 -13.584 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -1.477 -29.985 -13.418 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -2.104 -28.713 -14.629 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -3.021 -28.442 -14.665 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -1.981 -29.248 -15.413 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -3.103 -30.623 -16.810 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -3.916 -30.298 -17.198 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -2.870 -31.383 -17.343 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -6.994 -31.343 -13.430 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -6.918 -31.769 -12.576 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -6.101 -31.329 -13.772 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -5.629 -19.190 -4.130 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -6.070 -19.910 -3.680 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -5.642 -18.469 -3.500 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -2.283 -28.095 -1.165 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -2.234 -27.485 -0.429 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -1.857 -27.634 -1.888 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -1.891 -26.617 1.071 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -2.580 -25.959 0.976 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -1.876 -26.814 2.008 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -5.164 -27.779 -4.044 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -5.379 -28.545 -3.512 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -4.508 -27.307 -3.531 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -5.117 -17.350 -1.782 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -6.059 -17.292 -1.621 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -4.841 -16.444 -1.919 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -4.817 -29.064 -0.365 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -5.553 -28.453 -0.403 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -4.133 -28.649 -0.891 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -5.706 -17.668 -6.648 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -5.963 -18.358 -7.260 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -5.635 -18.111 -5.803 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -6.141 -21.930 -7.447 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -6.873 -21.702 -6.874 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -5.694 -22.644 -6.992 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -6.244 -23.756 1.621 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -6.164 -22.993 2.193 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -6.845 -23.477 0.930 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -3.572 -31.018 -9.949 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -4.471 -30.879 -9.654 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -3.320 -30.187 -10.351 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -2.382 -16.652 -11.572 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -2.309 -15.713 -11.402 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -1.477 -16.957 -11.629 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.313 -24.928 3.886 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -4.720 -24.447 3.166 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -4.272 -25.833 3.579 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -6.556 -26.596 2.107 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -7.070 -26.722 2.904 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -6.711 -25.684 1.862 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -4.183 -12.553 4.513 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -3.983 -12.129 3.678 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -3.527 -12.210 5.120 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -4.235 -20.938 -0.256 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -3.593 -20.481 -0.799 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -5.065 -20.825 -0.718 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -7.615 -17.425 2.145 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -8.516 -17.242 1.877 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -7.581 -17.166 3.066 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.884 -25.180 -9.488 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.438 -25.576 -10.160 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.783 -24.270 -9.765 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -3.588 -16.394 -9.023 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -3.961 -17.220 -8.713 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -3.311 -16.577 -9.920 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -6.428 -21.586 -2.001 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -7.356 -21.818 -2.028 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -5.977 -22.363 -2.331 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -5.740 -14.795 2.193 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -6.342 -15.350 1.698 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -5.459 -14.128 1.567 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -5.330 -19.745 -8.976 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -5.607 -20.473 -8.420 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -4.403 -19.626 -8.770 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -4.159 -27.548 2.442 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -5.075 -27.285 2.354 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -3.823 -27.551 1.545 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -5.557 -23.797 -3.462 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -6.354 -24.212 -3.791 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.112 -24.488 -2.971 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -4.470 -14.541 -1.840 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -4.626 -13.863 -2.497 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -3.538 -14.469 -1.637 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -7.582 -16.571 4.737 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -7.933 -17.427 4.980 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -6.856 -16.428 5.344 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -6.459 -20.174 2.158 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -5.714 -19.586 2.038 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -7.216 -19.592 2.221 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -9.050 -21.380 5.414 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -8.097 -21.296 5.386 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -9.210 -22.091 6.033 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -2.898 -21.146 -12.512 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.171 -21.571 -13.325 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -2.858 -20.215 -12.729 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -7.320 -24.872 5.979 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -7.128 -25.803 5.868 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -6.463 -24.447 5.969 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -6.004 -22.083 4.057 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -6.285 -21.374 3.479 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -5.061 -22.156 3.906 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -6.898 -28.587 5.787 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -6.995 -29.539 5.781 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -7.220 -28.318 6.648 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -1.754 -13.891 -1.611 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -1.776 -13.706 -0.672 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.064 -13.322 -1.952 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -2.191 -14.324 1.311 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -2.678 -15.059 0.940 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -1.642 -14.717 1.989 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -2.439 -20.277 -8.537 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -1.589 -19.856 -8.409 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -2.434 -21.017 -7.929 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -3.799 -16.561 0.542 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -4.447 -16.236 1.167 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -4.317 -17.001 -0.133 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -1.777 -22.323 -10.322 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -2.298 -21.966 -11.041 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -1.810 -21.648 -9.644 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -3.428 -25.083 -11.771 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -3.331 -24.416 -12.451 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -3.568 -25.899 -12.253 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -4.258 -23.703 -6.150 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.408 -24.648 -6.170 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -4.612 -23.422 -5.306 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -3.402 -21.733 3.489 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.819 -22.467 3.680 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.838 -20.961 3.535 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -4.180 -27.675 -12.654 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -3.570 -28.047 -12.017 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -5.017 -28.097 -12.458 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -4.548 -26.120 -7.688 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -4.268 -27.027 -7.563 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -3.789 -25.686 -8.077 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -3.936 -25.539 -2.252 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -3.003 -25.327 -2.286 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -4.171 -25.437 -1.329 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -3.907 -24.802 0.524 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.750 -24.534 0.890 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.464 -23.980 0.313 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -3.934 -28.857 -7.639 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -3.752 -29.306 -6.814 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -4.534 -29.442 -8.103 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -2.068 -28.790 -11.111 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -1.655 -29.511 -11.587 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -1.386 -28.120 -11.053 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -5.165 -12.705 0.256 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -5.347 -11.789 0.045 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -4.989 -13.115 -0.591 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -4.531 -31.067 -3.519 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -3.927 -30.519 -4.020 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -5.400 -30.747 -3.759 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -2.804 -29.928 -5.185 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -2.192 -30.442 -5.712 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -2.421 -29.050 -5.162 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -7.210 -30.583 -4.347 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -7.134 -30.488 -5.296 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -7.486 -31.491 -4.218 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -5.857 -30.557 -8.654 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -6.560 -29.943 -8.864 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -6.302 -31.395 -8.523 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -6.994 -31.343 5.426 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -6.918 -31.769 6.280 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -6.101 -31.329 5.084 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -3.818 -15.270 4.119 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -4.600 -15.456 3.599 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -3.890 -14.341 4.336 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -9.335 -22.129 16.424 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -9.373 -22.775 17.129 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -9.658 -22.595 15.653 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -10.946 -19.696 16.830 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -10.642 -20.382 16.236 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -10.224 -19.578 17.448 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -12.874 -23.254 14.408 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -12.258 -23.780 14.917 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -13.460 -23.894 14.004 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -11.814 -30.977 15.957 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -11.931 -31.926 15.903 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -12.669 -30.645 16.230 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -9.547 -22.140 10.457 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -10.259 -21.605 10.106 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -8.856 -22.084 9.797 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -9.493 -23.682 7.496 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -8.792 -23.660 8.147 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -9.191 -24.310 6.840 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -13.129 -17.872 15.973 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -13.224 -18.450 15.216 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -12.400 -18.243 16.469 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -7.820 -17.028 17.659 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -8.061 -16.366 18.307 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -8.018 -17.862 18.084 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -10.486 -16.847 21.138 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -10.399 -16.021 21.613 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -11.350 -17.177 21.387 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -16.418 -14.286 12.725 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -16.266 -14.634 13.604 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -17.269 -14.642 12.470 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -6.970 -13.921 7.947 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -6.595 -14.665 7.476 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -6.966 -14.191 8.865 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -9.882 -30.352 20.109 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -9.462 -30.767 20.862 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -10.815 -30.530 20.226 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -5.793 -21.735 6.724 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -5.751 -21.958 5.794 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.944 -21.337 6.914 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -10.220 -27.859 7.394 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -10.474 -27.840 8.317 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -10.477 -28.731 7.093 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -9.819 -24.296 23.047 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -10.382 -25.000 23.367 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -8.993 -24.416 23.514 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -8.653 -23.387 19.044 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -8.329 -24.018 18.401 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -9.093 -23.922 19.705 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -11.875 -27.460 13.828 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -12.786 -27.403 14.117 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -11.370 -27.520 14.639 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -13.394 -25.831 10.311 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -12.462 -25.702 10.489 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -13.609 -25.161 9.662 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -4.183 -12.553 23.369 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -3.983 -12.129 22.534 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -3.527 -12.210 23.976 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -10.555 -24.672 15.715 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -9.991 -25.219 15.168 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -10.703 -25.194 16.504 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -11.929 -26.284 18.129 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -12.764 -25.830 18.239 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -11.405 -26.008 18.881 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -11.385 -20.071 9.814 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -12.129 -20.578 9.491 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -11.519 -20.022 10.760 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -7.487 -27.257 8.013 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -8.425 -27.145 7.862 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -7.190 -26.400 8.319 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -9.865 -19.887 21.051 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -10.211 -20.268 21.857 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -10.065 -18.953 21.122 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -9.259 -18.612 8.839 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -9.554 -17.786 9.221 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -9.962 -19.232 9.035 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -7.615 -17.425 21.001 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -8.516 -17.242 20.733 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -7.581 -17.166 21.922 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -13.885 -17.258 12.988 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -13.358 -16.485 12.787 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -14.765 -17.033 12.686 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -12.458 -19.595 12.564 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -12.699 -18.670 12.606 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -13.198 -20.054 12.960 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -11.943 -15.446 18.879 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -11.580 -14.591 18.646 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -11.411 -15.738 19.620 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -13.774 -14.573 12.109 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -14.724 -14.468 12.161 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -13.423 -13.753 12.454 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -8.399 -19.347 18.580 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -8.825 -19.574 19.406 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -7.818 -20.085 18.397 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -6.196 -18.418 7.654 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -5.843 -18.798 8.458 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -7.145 -18.511 7.740 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -5.740 -14.795 21.049 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -6.342 -15.350 20.554 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -5.459 -14.128 20.423 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -1.692 -13.938 7.855 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -0.949 -13.352 7.715 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -2.387 -13.370 8.188 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -13.168 -17.736 8.557 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -13.021 -18.256 9.347 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -13.171 -16.829 8.863 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -8.883 -27.821 19.346 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -8.185 -27.747 19.996 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -9.264 -28.685 19.501 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -8.099 -28.169 10.443 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -7.879 -27.697 9.640 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -7.541 -27.774 11.114 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -10.430 -16.038 9.306 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -11.247 -15.541 9.359 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -9.901 -15.563 8.666 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -10.899 -26.441 11.278 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -10.087 -25.937 11.324 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -11.144 -26.586 12.192 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -10.363 -25.455 20.463 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -10.244 -24.881 21.220 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -9.708 -26.143 20.578 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -10.015 -29.360 12.216 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -10.362 -28.742 12.861 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -9.357 -28.859 11.735 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -13.092 -14.995 9.288 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -12.931 -14.195 8.787 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -13.289 -14.688 10.173 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -10.067 -15.443 6.239 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -10.711 -16.074 6.561 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -9.305 -15.974 6.007 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -7.582 -16.571 23.593 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -7.933 -17.427 23.836 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -6.856 -16.428 24.200 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -5.463 -15.626 6.473 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -5.180 -16.420 6.926 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -4.723 -15.393 5.912 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -12.194 -20.090 23.631 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -12.522 -19.819 22.773 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -12.042 -21.031 23.543 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -9.156 -18.669 6.066 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -9.424 -18.489 6.967 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -9.362 -19.595 5.935 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -12.288 -23.501 6.899 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -12.468 -23.655 5.971 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -11.337 -23.393 6.943 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -9.050 -21.380 24.270 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -8.097 -21.296 24.242 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -9.210 -22.091 24.889 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -11.736 -22.687 19.807 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -10.985 -22.843 19.234 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -12.075 -21.835 19.531 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -7.320 -24.872 24.835 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -7.128 -25.803 24.724 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -6.463 -24.447 24.825 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -12.512 -30.670 19.999 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -12.610 -29.723 19.893 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -13.255 -31.042 19.523 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -8.532 -27.221 22.638 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -9.480 -27.189 22.770 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -8.220 -27.846 23.292 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -6.898 -28.587 24.643 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -6.995 -29.539 24.637 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -7.220 -28.318 25.504 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -12.290 -31.376 22.670 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -11.578 -32.016 22.656 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -12.391 -31.109 21.756 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -12.390 -12.810 7.900 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -11.457 -12.652 8.044 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -12.654 -12.135 7.275 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -2.191 -14.324 20.167 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -2.678 -15.059 19.796 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -1.642 -14.717 20.845 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -2.439 -20.277 10.319 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -1.589 -19.856 10.447 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -2.434 -21.017 10.927 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -4.180 -27.675 6.202 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -3.570 -28.047 6.839 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -5.017 -28.097 6.398 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -10.366 -14.498 22.578 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -10.181 -14.832 23.456 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -9.519 -14.189 22.256 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -8.021 -13.213 21.822 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -7.344 -13.845 21.582 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -7.699 -12.811 22.630 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -14.808 -13.041 18.696 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -15.673 -12.969 19.100 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -14.863 -12.494 17.912 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -7.770 -14.275 18.817 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -8.674 -14.110 18.551 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -7.341 -13.422 18.751 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -15.719 -15.308 15.232 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -15.938 -16.224 15.401 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -14.895 -15.168 15.698 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -13.182 -14.838 16.080 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -12.969 -15.726 15.793 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -13.117 -14.872 17.035 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -9.673 -29.174 15.225 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -10.348 -29.803 15.480 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -9.109 -29.658 14.622 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -12.767 -30.613 12.860 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -11.893 -30.225 12.830 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -12.903 -30.828 13.783 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -5.857 -30.557 10.202 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -6.560 -29.943 9.992 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -6.302 -31.395 10.333 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -11.623 -28.533 9.750 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -11.445 -29.179 10.433 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -11.677 -27.699 10.217 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -9.745 -13.584 8.145 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -8.879 -13.218 7.967 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -9.992 -14.024 7.332 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -6.994 -31.343 24.282 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -6.918 -31.769 25.136 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -6.101 -31.329 23.940 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -3.818 -15.270 22.975 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.600 -15.456 22.455 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -3.890 -14.341 23.192 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -5.706 -17.668 31.064 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -5.963 -18.358 30.452 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -5.635 -18.111 31.909 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -9.493 -23.682 26.352 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -8.792 -23.660 27.003 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -9.191 -24.310 25.696 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -6.141 -21.930 30.265 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -6.873 -21.702 30.838 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -5.694 -22.644 30.720 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -7.270 -22.768 27.950 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -6.691 -22.618 28.697 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -6.856 -22.297 27.227 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -3.572 -31.018 27.763 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -4.471 -30.879 28.058 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -3.320 -30.187 27.361 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -2.382 -16.652 26.140 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -2.309 -15.713 26.310 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -1.477 -16.957 26.083 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -6.970 -13.921 26.803 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -6.595 -14.665 26.332 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -6.966 -14.191 27.721 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -7.487 -27.257 26.869 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -8.425 -27.145 26.718 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -7.190 -26.400 27.175 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -6.769 -25.390 28.530 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -5.877 -25.527 28.849 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -6.712 -24.599 27.993 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -9.259 -18.612 27.695 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -9.554 -17.786 28.077 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -9.962 -19.232 27.891 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -1.884 -25.180 28.224 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -2.438 -25.576 27.552 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -1.783 -24.270 27.947 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -3.588 -16.394 28.689 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -3.961 -17.220 28.999 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -3.311 -16.577 27.792 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -1.692 -13.938 26.711 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -0.949 -13.352 26.571 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -2.387 -13.370 27.044 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -5.330 -19.745 28.736 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -5.607 -20.473 29.292 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -4.403 -19.626 28.942 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -10.067 -15.443 25.095 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -10.711 -16.074 25.417 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -9.305 -15.974 24.863 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -5.463 -15.626 25.329 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -5.180 -16.420 25.782 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -4.723 -15.393 24.768 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -9.156 -18.669 24.922 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -9.424 -18.489 25.823 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -9.362 -19.595 24.791 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -2.439 -20.277 29.175 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -1.589 -19.856 29.303 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -2.434 -21.017 29.783 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -2.045 -22.224 30.999 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -2.771 -22.703 31.397 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -1.464 -22.018 31.731 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -1.777 -22.323 27.390 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -2.298 -21.966 26.671 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -1.810 -21.648 28.068 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -3.428 -25.083 25.941 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -3.331 -24.416 25.261 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -3.568 -25.899 25.459 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -4.180 -27.675 25.058 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -3.570 -28.047 25.695 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -5.017 -28.097 25.254 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -2.068 -28.790 26.601 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -1.655 -29.511 26.125 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -1.386 -28.120 26.659 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -5.857 -30.557 29.058 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -6.560 -29.943 28.848 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -6.302 -31.395 29.189 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -6.898 -9.731 5.787 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.995 -10.683 5.781 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -7.220 -9.462 6.648 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -1.624 -11.966 5.878 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -1.274 -12.620 5.272 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -1.477 -11.129 5.438 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -2.104 -9.857 4.227 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -3.021 -9.586 4.191 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -1.981 -10.392 3.443 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -3.103 -11.767 2.046 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -3.916 -11.442 1.658 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -2.870 -12.527 1.513 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -6.994 -12.487 5.426 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -6.918 -12.913 6.280 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -6.101 -12.473 5.084 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -8.268 -2.528 13.005 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -8.179 -1.584 12.873 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -8.907 -2.803 12.347 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -9.335 -3.273 16.424 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -9.373 -3.919 17.129 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -9.658 -3.739 15.653 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -7.805 -6.446 17.158 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -7.662 -7.393 17.178 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -7.911 -6.239 16.229 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -14.650 -8.345 14.430 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -14.607 -7.485 14.012 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -15.108 -8.897 13.797 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -2.178 -3.906 18.751 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -2.830 -3.211 18.840 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -1.713 -3.696 17.941 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -6.141 -3.074 11.409 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -6.873 -2.846 11.982 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -5.694 -3.788 11.864 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -6.244 -4.900 20.477 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -6.164 -4.137 21.049 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -6.845 -4.621 19.786 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -7.270 -3.912 9.094 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -6.691 -3.762 9.841 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -6.856 -3.441 8.371 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -3.572 -12.162 8.907 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -4.471 -12.023 9.202 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -3.320 -11.331 8.505 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -4.313 -6.072 22.742 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -4.720 -5.591 22.022 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -4.272 -6.977 22.435 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -14.545 -11.218 16.735 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -15.406 -11.305 16.327 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -14.567 -10.362 17.162 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -9.882 -11.496 20.109 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -9.462 -11.911 20.862 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -10.815 -11.674 20.226 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -6.556 -7.740 20.963 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -7.070 -7.866 21.760 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -6.711 -6.828 20.718 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -10.220 -9.003 7.394 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -10.474 -8.984 8.317 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -10.477 -9.875 7.093 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -8.921 -5.615 11.559 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -9.330 -4.800 11.267 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -8.201 -5.755 10.944 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -8.653 -4.531 19.044 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -8.329 -5.162 18.401 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -9.093 -5.066 19.705 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -11.875 -8.604 13.828 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -12.786 -8.547 14.117 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -11.370 -8.664 14.639 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -10.555 -5.816 15.715 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -9.991 -6.363 15.168 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -10.703 -6.338 16.504 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -15.553 -9.680 12.133 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -15.870 -10.582 12.098 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -14.772 -9.678 11.581 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -11.929 -7.428 18.129 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -12.764 -6.974 18.239 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -11.405 -7.152 18.881 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -4.235 -2.082 18.600 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -3.593 -1.625 18.057 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -5.065 -1.969 18.138 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -7.487 -8.401 8.013 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -8.425 -8.289 7.862 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -7.190 -7.544 8.319 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -6.769 -6.534 9.674 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -5.877 -6.671 9.993 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -6.712 -5.743 9.137 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -1.884 -6.324 9.368 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -2.438 -6.720 8.696 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -1.783 -5.414 9.091 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -6.428 -2.730 16.855 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -7.356 -2.962 16.828 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -5.977 -3.507 16.525 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -8.883 -8.965 19.346 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -8.185 -8.891 19.996 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -9.264 -9.829 19.501 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -8.099 -9.313 10.443 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -7.879 -8.841 9.640 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -7.541 -8.918 11.114 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -10.899 -7.585 11.278 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -10.087 -7.081 11.324 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -11.144 -7.730 12.192 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -10.363 -6.599 20.463 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -10.244 -6.025 21.220 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -9.708 -7.287 20.578 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -4.159 -8.692 21.298 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -5.075 -8.429 21.210 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -3.823 -8.695 20.401 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -5.557 -4.941 15.394 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -6.354 -5.356 15.065 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -5.112 -5.632 15.885 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -13.318 -9.270 19.567 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -12.782 -8.819 18.915 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -14.170 -9.378 19.145 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -12.512 -11.814 19.999 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -12.610 -10.867 19.893 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -13.255 -12.186 19.523 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -2.045 -3.368 12.143 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -2.771 -3.847 12.541 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -1.464 -3.162 12.875 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -3.428 -6.227 7.085 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -3.331 -5.560 6.405 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -3.568 -7.043 6.603 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -4.258 -4.847 12.706 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -4.408 -5.792 12.686 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -4.612 -4.566 13.550 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -1.905 -4.974 23.029 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -2.768 -5.353 22.864 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -1.301 -5.713 22.955 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -4.180 -8.819 6.202 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -3.570 -9.191 6.839 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -5.017 -9.241 6.398 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -3.907 -5.946 19.380 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -4.750 -5.678 19.746 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -3.464 -5.124 19.169 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -2.104 -9.857 23.083 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -3.021 -9.586 23.047 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -1.981 -10.392 22.299 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -2.068 -9.934 7.745 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -1.655 -10.655 7.269 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -1.386 -9.264 7.803 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -3.103 -11.767 20.902 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -3.916 -11.442 20.514 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -2.870 -12.527 20.369 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -12.767 -11.757 12.860 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -11.893 -11.369 12.830 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -12.903 -11.972 13.783 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -11.623 -9.677 9.750 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -11.445 -10.323 10.433 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -11.677 -8.843 10.217 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -6.994 -12.487 24.282 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -6.918 -12.913 25.136 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -6.101 -12.473 23.940 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 5.607 -55.844 -16.070 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 5.295 -55.062 -15.614 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 4.957 -55.997 -16.756 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 3.846 -53.772 -15.306 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 3.854 -53.908 -16.254 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 2.930 -53.890 -15.054 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 8.370 -54.559 -16.574 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 8.457 -53.733 -16.099 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 7.506 -54.889 -16.325 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 14.673 -50.265 -14.343 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 14.873 -49.841 -15.178 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 15.329 -49.922 -13.736 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 8.991 -57.599 -16.661 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 8.645 -57.980 -15.855 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 8.791 -56.665 -16.590 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 11.241 -55.137 -16.711 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 10.340 -54.954 -16.979 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 11.275 -54.878 -15.790 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 13.116 -52.507 -16.663 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 12.514 -53.062 -17.158 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 13.397 -51.840 -17.289 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 4.697 -52.663 -12.848 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 5.465 -53.122 -12.507 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 4.676 -52.889 -13.778 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 11.274 -54.283 -14.119 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 10.923 -55.139 -13.876 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 12.000 -54.140 -13.512 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 6.662 -57.802 -14.081 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 6.334 -57.531 -14.939 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 6.814 -58.743 -14.169 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 9.806 -59.092 -13.442 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 10.759 -59.008 -13.470 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 9.646 -59.803 -12.823 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 15.116 -56.246 -12.907 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 14.250 -56.351 -12.513 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 15.492 -55.487 -12.460 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 8.490 -52.210 -15.134 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 8.675 -52.544 -14.256 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 9.337 -51.901 -15.456 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 10.835 -50.925 -15.890 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 11.512 -51.557 -16.130 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 11.157 -50.523 -15.082 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 13.691 -50.417 -18.600 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 13.509 -49.501 -18.811 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 13.867 -50.827 -19.447 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 15.038 -52.982 -14.737 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 14.256 -53.168 -15.257 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 14.966 -52.053 -14.520 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 10.588 -59.096 -5.851 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 10.677 -58.152 -5.983 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 9.949 -59.371 -6.509 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 9.521 -59.841 -2.432 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 9.483 -60.487 -1.727 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 9.198 -60.307 -3.203 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 1.889 -60.226 -0.839 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 1.931 -60.852 -0.115 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 2.592 -59.603 -0.657 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 0.133 -59.954 -4.785 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 0.347 -60.724 -4.258 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 0.871 -59.865 -5.388 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 11.051 -63.014 -1.698 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 11.194 -63.961 -1.678 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 10.945 -62.807 -2.627 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 0.826 -62.516 -3.664 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 1.480 -63.066 -3.232 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 0.850 -62.790 -4.580 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 5.982 -60.966 -4.448 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 6.598 -61.492 -3.939 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 5.396 -61.606 -4.852 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 16.965 -64.329 1.071 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 16.276 -63.671 0.976 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 16.980 -64.526 2.008 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 10.385 -56.495 -6.808 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 10.089 -56.817 -7.659 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 10.061 -55.595 -6.766 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 9.309 -59.852 -8.399 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 8.597 -59.317 -8.750 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 10.000 -59.796 -9.059 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 12.715 -59.642 -7.447 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 11.983 -59.414 -6.874 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 13.162 -60.356 -6.992 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 12.612 -61.468 1.621 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 12.692 -60.705 2.193 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 12.011 -61.189 0.930 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 4.360 -59.012 -5.564 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 4.030 -59.382 -6.383 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 4.948 -59.682 -5.218 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 4.727 -60.243 -1.931 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 5.292 -60.122 -2.694 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 5.046 -59.606 -1.292 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 11.586 -60.480 -9.762 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 12.165 -60.330 -9.015 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 12.000 -60.009 -10.485 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 16.474 -54.364 -11.572 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 16.547 -53.425 -11.402 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 17.379 -54.669 -11.629 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 2.438 -51.998 -6.131 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 2.590 -52.346 -5.252 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 1.587 -52.354 -6.386 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 14.543 -62.640 3.886 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 14.136 -62.159 3.166 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 14.584 -63.545 3.579 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 12.300 -64.308 2.107 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 11.786 -64.434 2.904 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 12.145 -63.396 1.862 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 4.402 -62.820 -1.026 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 3.760 -62.861 -0.317 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 4.439 -61.894 -1.264 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 9.935 -62.183 -7.297 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 9.526 -61.368 -7.589 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 10.655 -62.323 -7.912 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 10.939 -62.737 -4.483 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 10.744 -62.132 -5.198 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 11.121 -63.571 -4.918 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 2.152 -62.500 0.841 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 2.114 -62.100 1.709 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 1.661 -63.317 0.931 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 10.203 -61.099 0.188 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 10.527 -61.730 -0.455 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 9.763 -61.634 0.849 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 8.301 -62.384 -3.141 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 8.865 -62.931 -3.688 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 8.153 -62.906 -2.352 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 6.927 -63.996 -0.727 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 6.092 -63.542 -0.617 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 7.451 -63.720 0.025 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 7.471 -57.783 -9.042 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 6.727 -58.290 -9.365 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 7.337 -57.734 -8.096 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 2.596 -58.488 -3.273 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 3.341 -58.490 -3.874 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 2.674 -59.312 -2.791 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 9.597 -56.324 -10.017 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 9.302 -55.498 -9.635 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 8.894 -56.944 -9.821 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -0.396 -60.027 2.042 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -0.173 -60.445 2.874 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -0.998 -60.640 1.620 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 15.268 -54.106 -9.023 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 14.895 -54.932 -8.713 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 15.545 -54.289 -9.920 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 4.971 -54.970 -5.868 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 5.498 -54.197 -6.069 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 4.091 -54.745 -6.170 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 6.398 -57.307 -6.292 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 6.157 -56.382 -6.250 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 5.658 -57.766 -5.896 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 5.082 -52.285 -6.747 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 4.132 -52.180 -6.695 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 5.433 -51.465 -6.402 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 12.660 -56.130 -11.202 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 13.013 -56.510 -10.398 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 11.711 -56.223 -11.116 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 17.164 -51.650 -11.001 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 17.907 -51.064 -11.141 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 16.469 -51.082 -10.668 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 13.526 -57.457 -8.976 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 13.249 -58.185 -8.420 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 14.453 -57.338 -8.770 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 6.751 -55.018 -12.755 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 6.990 -55.766 -13.303 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 6.482 -55.406 -11.923 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 5.688 -55.448 -10.299 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 5.835 -55.968 -9.509 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 5.685 -54.541 -9.993 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 9.973 -65.533 0.490 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 10.671 -65.459 1.140 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 9.592 -66.397 0.645 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 8.493 -63.167 1.607 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 8.612 -62.593 2.364 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 9.148 -63.855 1.722 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 13.299 -61.509 -3.462 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 12.502 -61.924 -3.791 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 13.744 -62.200 -2.971 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 2.757 -55.581 -10.892 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 3.349 -54.882 -10.616 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 3.216 -56.014 -11.611 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 0.811 -54.195 -6.942 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -0.021 -53.722 -6.915 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 1.357 -53.685 -7.541 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 13.393 -53.338 -12.383 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 13.676 -54.132 -11.930 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 14.133 -53.105 -12.944 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 4.348 -57.428 -12.526 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 4.412 -58.222 -11.995 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 5.001 -57.547 -13.215 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 9.700 -56.381 -12.790 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 9.432 -56.201 -11.889 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 9.494 -57.307 -12.921 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 0.839 -60.572 4.762 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 1.247 -61.429 4.641 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 0.579 -60.557 5.683 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 4.786 -61.563 2.136 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 4.168 -60.888 2.417 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 5.130 -61.242 1.303 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 5.126 -64.208 3.219 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 5.276 -64.937 2.616 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 5.128 -63.431 2.660 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 11.536 -62.584 5.979 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 11.728 -63.515 5.868 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 12.393 -62.159 5.969 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 3.604 -63.010 5.130 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 2.837 -63.542 4.920 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 4.283 -63.320 4.531 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 7.608 -64.060 4.706 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 7.372 -64.280 5.608 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 6.825 -64.267 4.197 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 10.324 -64.933 3.782 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 9.376 -64.901 3.914 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 10.636 -65.558 4.436 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 -1.317 -50.493 -6.396 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 -1.964 -50.955 -6.929 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 -0.962 -51.165 -5.813 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 -0.447 -52.412 -4.591 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 -0.781 -53.293 -4.419 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 -0.225 -52.067 -3.727 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 16.417 -57.989 -8.537 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 17.267 -57.568 -8.409 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 16.422 -58.729 -7.929 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 16.811 -59.936 -6.713 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 16.085 -60.415 -6.315 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 17.392 -59.730 -5.981 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 14.598 -61.415 -6.150 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 14.448 -62.360 -6.170 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 14.244 -61.134 -5.306 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 -0.367 -59.337 -2.140 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 -0.183 -59.419 -3.075 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 0.482 -59.461 -1.716 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 15.454 -59.445 3.489 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 16.037 -60.179 3.680 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 16.018 -58.673 3.535 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 16.951 -61.542 4.173 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 16.088 -61.921 4.008 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 17.555 -62.281 4.099 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 14.920 -63.251 -2.252 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 15.853 -63.039 -2.286 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 14.685 -63.149 -1.329 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 14.949 -62.514 0.524 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 14.106 -62.246 0.890 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 15.392 -61.692 0.313 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 -0.769 -64.066 4.001 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 0.150 -64.188 4.237 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 -1.219 -64.816 4.390 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 0.247 -52.506 -9.108 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 -0.438 -52.544 -9.776 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 0.250 -51.593 -8.820 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 15.820 -51.733 -8.031 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 15.626 -52.481 -8.596 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 15.781 -50.975 -8.615 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 2.065 -51.586 -12.083 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 1.797 -51.299 -11.210 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 2.836 -52.132 -11.931 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 10.588 -59.096 13.005 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 10.677 -58.152 12.873 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 9.949 -59.371 12.347 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 13.227 -56.902 14.726 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 12.786 -57.622 15.176 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 13.214 -56.181 15.356 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 2.813 -55.776 16.552 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 2.443 -56.578 16.183 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 3.754 -55.945 16.599 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 0.133 -59.954 14.071 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 0.347 -60.724 14.598 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 0.871 -59.865 13.468 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 10.338 -51.797 14.938 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 10.958 -52.474 14.665 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 10.130 -52.015 15.846 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 7.910 -57.408 16.830 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 8.214 -58.094 16.236 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 8.632 -57.290 17.448 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 5.982 -60.966 14.408 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 6.598 -61.492 14.917 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 5.396 -61.606 14.004 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 10.385 -56.495 12.048 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 10.089 -56.817 11.197 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 10.061 -55.595 12.090 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 5.585 -58.319 18.792 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 4.845 -57.721 18.895 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 6.299 -57.765 18.476 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 3.993 -56.355 19.579 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 3.987 -55.476 19.201 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 3.139 -56.438 20.004 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 0.114 -56.684 10.361 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 -0.158 -56.455 9.472 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 0.159 -55.846 10.821 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 13.739 -55.062 17.074 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 12.797 -55.004 17.235 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 14.015 -54.156 16.937 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 11.991 -53.281 13.699 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 12.416 -53.988 13.214 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 12.308 -52.480 13.282 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 13.150 -55.380 12.208 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 12.893 -56.070 11.596 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 13.221 -55.823 13.053 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 14.836 -56.814 20.685 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 14.976 -57.405 19.946 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 15.004 -55.941 20.329 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 9.309 -59.852 10.457 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 8.597 -59.317 10.106 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 10.000 -59.796 9.797 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 9.363 -61.394 7.496 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 10.064 -61.372 8.147 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 9.665 -62.022 6.840 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 12.715 -59.642 11.409 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 11.983 -59.414 11.982 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 13.162 -60.356 11.864 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 4.360 -59.012 13.292 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 4.030 -59.382 12.473 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 4.948 -59.682 13.638 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 5.727 -55.584 15.973 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 5.632 -56.162 15.216 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 6.456 -55.955 16.469 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 4.727 -60.243 16.925 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 5.292 -60.122 16.162 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 5.046 -59.606 17.564 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 11.036 -54.740 17.659 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 10.795 -54.078 18.307 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 10.838 -55.574 18.084 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 5.607 -55.844 21.642 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 5.295 -55.062 22.098 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 4.957 -55.997 20.956 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 11.586 -60.480 9.094 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 12.165 -60.330 9.841 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 12.000 -60.009 8.371 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 9.312 -53.743 12.529 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 9.786 -53.448 13.307 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 8.749 -53.005 12.296 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 3.846 -53.772 22.406 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 3.854 -53.908 21.458 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 2.930 -53.890 22.658 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 3.350 -59.942 10.881 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 3.058 -59.174 10.390 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 2.676 -60.602 10.718 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 -0.557 -57.579 19.696 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 -1.058 -57.607 18.881 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 -0.551 -58.485 20.006 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 17.391 -54.133 22.262 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 17.342 -55.088 22.225 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 16.565 -53.865 22.664 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 8.370 -54.559 21.138 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 8.457 -53.733 21.613 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 7.506 -54.889 21.387 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 11.886 -51.633 7.947 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 12.261 -52.377 7.476 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 11.890 -51.903 8.865 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 11.555 -51.707 10.696 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 10.620 -51.607 10.875 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 11.835 -52.416 11.274 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 1.692 -56.256 20.739 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 1.909 -56.617 21.599 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 0.837 -56.630 20.529 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 13.063 -59.447 6.724 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 13.105 -59.670 5.794 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 13.912 -59.049 6.914 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 8.636 -65.571 7.394 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 8.382 -65.552 8.317 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 8.379 -66.443 7.093 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 4.399 -62.599 12.742 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 3.506 -62.940 12.683 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 4.850 -62.976 11.986 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 9.935 -62.183 11.559 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 9.526 -61.368 11.267 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 10.655 -62.323 10.944 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 5.518 -65.126 6.495 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 5.087 -65.571 7.225 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 4.800 -64.754 5.983 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 4.136 -62.348 7.878 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 3.594 -62.728 7.187 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 4.970 -62.154 7.449 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 14.673 -50.265 23.369 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 14.873 -49.841 22.534 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 15.329 -49.922 23.976 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 7.471 -57.783 9.814 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 6.727 -58.290 9.491 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 7.337 -57.734 10.760 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 11.369 -64.969 8.013 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 10.431 -64.857 7.862 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 11.666 -64.112 8.319 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 8.991 -57.599 21.051 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 8.645 -57.980 21.857 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 8.791 -56.665 21.122 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 12.087 -63.102 9.674 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 12.979 -63.239 9.993 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 12.144 -62.311 9.137 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 2.596 -58.488 15.583 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 3.341 -58.490 14.982 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 2.674 -59.312 16.065 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 11.241 -55.137 21.001 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 10.340 -54.954 20.733 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 11.275 -54.878 21.922 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 16.972 -62.892 9.368 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 16.418 -63.288 8.696 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 17.073 -61.982 9.091 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 0.726 -60.108 7.575 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 1.342 -59.481 7.954 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 -0.136 -59.792 7.846 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 10.457 -57.059 18.580 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 10.031 -57.286 19.406 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 11.038 -57.797 18.397 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 2.141 -58.195 9.067 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 1.455 -57.843 9.634 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 2.664 -57.432 8.821 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 1.073 -62.917 7.080 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 1.028 -61.978 7.259 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 0.185 -63.153 6.810 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 14.386 -52.253 17.016 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 14.230 -51.575 16.359 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 15.318 -52.181 17.219 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 0.100 -51.582 23.244 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 0.640 -51.799 24.003 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 -0.381 -52.388 23.054 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 4.697 -52.663 24.864 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 5.465 -53.122 25.205 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 4.676 -52.889 23.934 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 11.274 -54.283 23.593 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 10.923 -55.139 23.836 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 12.000 -54.140 24.200 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 12.397 -57.886 21.014 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 13.142 -57.298 20.894 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 11.640 -57.304 21.077 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 5.497 -59.456 8.636 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 5.038 -59.940 9.322 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 5.752 -60.124 8.000 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 6.568 -61.213 6.899 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 6.388 -61.367 5.971 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 7.519 -61.105 6.943 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 17.102 -51.603 17.245 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 17.080 -51.418 18.184 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 17.792 -51.034 16.904 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 16.665 -52.036 20.167 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 16.178 -52.771 19.796 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 17.214 -52.429 20.845 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 16.811 -59.936 12.143 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 16.085 -60.415 12.541 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 17.392 -59.730 12.875 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 15.057 -54.273 19.398 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 14.409 -53.948 20.023 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 14.539 -54.713 18.723 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 17.079 -60.035 8.534 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 16.558 -59.678 7.815 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 17.046 -59.360 9.212 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 15.428 -62.795 7.085 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 15.525 -62.128 6.405 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 15.288 -63.611 6.603 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 14.598 -61.415 12.706 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 14.448 -62.360 12.686 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 14.244 -61.134 13.550 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 -0.367 -59.337 16.716 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 -0.183 -59.419 15.781 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 0.482 -59.461 17.140 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 13.840 -51.513 12.817 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 14.493 -51.860 12.209 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 14.351 -51.024 13.463 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 1.225 -54.584 23.360 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 0.404 -54.409 22.900 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 0.973 -54.657 24.281 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 4.179 -53.609 19.619 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 3.754 -52.800 19.336 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 5.084 -53.524 19.317 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 15.038 -52.982 22.975 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 14.256 -53.168 22.455 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 14.966 -52.053 23.192 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 11.886 -51.633 26.803 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.261 -52.377 26.332 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 11.890 -51.903 27.721 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 6.751 -55.018 24.957 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 6.990 -55.766 24.409 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 6.482 -55.406 25.789 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 8.789 -53.155 25.095 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 8.145 -53.786 25.417 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 9.551 -53.686 24.863 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 13.393 -53.338 25.329 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 13.676 -54.132 25.782 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 14.133 -53.105 24.768 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 9.700 -56.381 24.922 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 9.432 -56.201 25.823 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 9.494 -57.307 24.791 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 6.466 -50.522 26.756 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 7.399 -50.364 26.900 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 6.202 -49.847 26.131 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 9.111 -51.296 27.001 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 9.977 -50.930 26.823 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 8.864 -51.736 26.188 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 9.521 -40.985 -21.288 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 9.483 -41.631 -20.583 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 9.198 -41.451 -22.059 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 -0.577 -43.260 -25.767 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 -1.025 -42.414 -25.785 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 -1.138 -43.840 -26.282 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 0.133 -41.098 -23.641 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 0.347 -41.868 -23.114 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 0.871 -41.009 -24.244 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 10.338 -32.941 -22.774 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 10.958 -33.618 -23.047 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 10.130 -33.159 -21.866 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 7.910 -38.552 -20.882 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 8.214 -39.238 -21.476 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 8.632 -38.434 -20.264 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 4.206 -46.057 -23.282 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 4.249 -45.197 -23.700 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 3.748 -46.609 -23.915 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 0.826 -43.660 -22.520 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 1.480 -44.210 -22.088 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 0.850 -43.934 -23.436 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 5.982 -42.110 -23.304 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 6.598 -42.636 -22.795 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 5.396 -42.750 -23.708 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 16.965 -45.473 -17.785 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 16.276 -44.815 -17.880 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 16.980 -45.670 -16.848 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 3.016 -47.139 -19.208 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 2.797 -46.609 -19.974 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 2.348 -46.912 -18.560 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 2.610 -45.247 -21.255 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 3.223 -44.614 -20.882 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 3.122 -45.719 -21.912 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 0.114 -37.828 -27.351 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 -0.158 -37.599 -28.240 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 0.159 -36.990 -26.891 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 13.739 -36.206 -20.638 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 12.797 -36.148 -20.477 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 14.015 -35.300 -20.775 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 11.991 -34.425 -24.013 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 12.416 -35.132 -24.498 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 12.308 -33.624 -24.430 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 14.836 -37.958 -17.027 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 14.976 -38.549 -17.766 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 15.004 -37.085 -17.383 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 12.612 -42.612 -17.235 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 12.692 -41.849 -16.663 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 12.011 -42.333 -17.926 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 4.360 -40.156 -24.420 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 4.030 -40.526 -25.239 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 4.948 -40.826 -24.074 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.036 -35.884 -20.053 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 10.795 -35.222 -19.405 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 10.838 -36.718 -19.628 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 3.350 -41.086 -26.831 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 3.058 -40.318 -27.322 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 2.676 -41.746 -26.994 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 2.438 -33.142 -24.987 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 2.590 -33.490 -24.108 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 1.587 -33.498 -25.242 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 14.543 -43.784 -14.970 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 14.136 -43.303 -15.690 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 14.584 -44.689 -15.277 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 8.974 -49.208 -17.603 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 9.394 -49.623 -16.850 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 8.041 -49.386 -17.486 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 12.300 -45.452 -16.749 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 11.786 -45.578 -15.952 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 12.145 -44.540 -16.994 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 4.402 -43.964 -19.882 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 3.760 -44.005 -19.173 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 4.439 -43.038 -20.120 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 4.399 -43.743 -24.970 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 3.506 -44.084 -25.029 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 4.850 -44.120 -25.726 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 9.037 -43.152 -14.665 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 8.474 -43.856 -14.345 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 9.863 -43.272 -14.198 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 10.203 -42.243 -18.668 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 10.527 -42.874 -19.311 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 9.763 -42.778 -18.007 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 1.809 -44.687 -25.057 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 0.920 -44.587 -25.397 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 2.105 -45.529 -25.403 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 14.673 -31.409 -14.343 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 14.873 -30.985 -15.178 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 15.329 -31.066 -13.736 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 8.301 -43.528 -21.997 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 8.865 -44.075 -22.544 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 8.153 -44.050 -21.208 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 6.927 -45.140 -19.583 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 6.092 -44.686 -19.473 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 7.451 -44.864 -18.831 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 8.991 -38.743 -16.661 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 8.645 -39.124 -15.855 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 8.791 -37.809 -16.590 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 16.936 -38.236 -15.507 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 16.084 -37.998 -15.874 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 17.526 -38.253 -16.260 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 4.971 -36.114 -24.724 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 5.498 -35.341 -24.925 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 4.091 -35.889 -25.026 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 6.398 -38.451 -25.148 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 6.157 -37.526 -25.106 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 5.658 -38.910 -24.752 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 5.082 -33.429 -25.603 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 4.132 -33.324 -25.551 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 5.433 -32.609 -25.258 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 10.457 -38.203 -19.132 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 10.031 -38.430 -18.306 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 11.038 -38.941 -19.315 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 13.116 -33.651 -16.663 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 12.514 -34.206 -17.158 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 13.397 -32.984 -17.289 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 1.238 -46.418 -17.256 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 0.345 -46.079 -17.323 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 1.139 -47.273 -16.838 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 9.973 -46.677 -18.366 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 10.671 -46.603 -17.716 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 9.592 -47.541 -18.211 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 8.493 -44.311 -17.249 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 8.612 -43.737 -16.492 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 9.148 -44.999 -17.134 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 14.697 -46.404 -16.414 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 13.781 -46.141 -16.502 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 15.033 -46.407 -17.311 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 14.386 -33.397 -20.696 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 14.230 -32.719 -21.353 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 15.318 -33.325 -20.493 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 0.811 -35.339 -25.798 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 -0.021 -34.866 -25.771 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 1.357 -34.829 -26.397 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 12.397 -39.030 -16.698 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 13.142 -38.442 -16.818 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 11.640 -38.448 -16.635 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 5.126 -45.352 -15.637 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 5.276 -46.081 -16.240 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 5.128 -44.575 -16.196 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 5.538 -46.982 -18.145 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 6.074 -46.531 -18.797 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 4.686 -47.090 -18.567 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 12.852 -40.939 -14.799 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 12.571 -40.230 -15.377 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 13.795 -41.012 -14.950 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 7.608 -45.204 -14.150 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 7.372 -45.424 -13.248 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 6.825 -45.411 -14.659 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 10.324 -46.077 -15.074 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 9.376 -46.045 -14.942 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 10.636 -46.702 -14.420 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 6.566 -50.232 -15.042 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 7.278 -50.872 -15.056 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 6.465 -49.965 -15.956 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 -0.447 -33.556 -23.447 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 -0.781 -34.437 -23.275 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 -0.225 -33.211 -22.583 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 16.665 -33.180 -17.545 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 16.178 -33.915 -17.916 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 17.214 -33.573 -16.867 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 15.116 -37.390 -12.907 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 14.250 -37.495 -12.513 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 15.492 -36.631 -12.460 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 15.057 -35.417 -18.314 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 14.409 -35.092 -17.689 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 14.539 -35.857 -18.989 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 15.454 -40.589 -15.367 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 16.037 -41.323 -15.176 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 16.018 -39.817 -15.321 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 16.951 -42.686 -14.683 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 16.088 -43.065 -14.848 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 17.555 -43.425 -14.757 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 0.452 -46.898 -21.964 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 0.897 -47.690 -21.662 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 0.918 -46.182 -21.533 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 -1.244 -43.899 -20.895 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 -0.752 -44.120 -21.685 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 -0.882 -43.058 -20.614 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 16.752 -47.569 -14.629 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 15.835 -47.298 -14.665 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 16.875 -48.104 -15.413 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 -0.967 -48.903 -18.496 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 -1.632 -49.149 -17.853 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 -1.410 -48.281 -19.073 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 15.753 -49.479 -16.810 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 14.940 -49.154 -17.198 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 15.986 -50.239 -17.343 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 13.691 -31.561 -18.600 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 13.509 -30.645 -18.811 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 13.867 -31.971 -19.447 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 3.137 -34.164 -22.480 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 2.918 -35.080 -22.311 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 3.961 -34.024 -22.014 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 5.674 -33.694 -21.632 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 5.887 -34.582 -21.919 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 5.739 -33.728 -20.677 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 1.467 -48.882 -15.148 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 1.101 -49.647 -14.705 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 2.380 -48.853 -14.861 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 3.440 -49.531 -13.612 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 4.339 -49.805 -13.797 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 3.054 -50.274 -13.148 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 15.038 -34.126 -14.737 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 14.256 -34.312 -15.257 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 14.966 -33.197 -14.520 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 16.474 -35.508 -11.572 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 16.547 -34.569 -11.402 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 17.379 -35.813 -11.629 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 12.660 -37.274 -11.202 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 13.013 -37.654 -10.398 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 11.711 -37.367 -11.116 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 17.164 -32.794 -11.001 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 17.907 -32.208 -11.141 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 16.469 -32.226 -10.668 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 13.393 -34.482 -12.383 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 13.676 -35.276 -11.930 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 14.133 -34.249 -12.944 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 15.958 -40.002 -12.512 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 15.685 -40.427 -13.325 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 15.998 -39.071 -12.729 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 16.417 -39.133 -8.537 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 17.267 -38.712 -8.409 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 16.422 -39.873 -7.929 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 16.811 -41.080 -6.713 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 16.085 -41.559 -6.315 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 17.392 -40.874 -5.981 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 17.079 -41.179 -10.322 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 16.558 -40.822 -11.041 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 17.046 -40.504 -9.644 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 0.346 -49.598 -10.006 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 0.785 -48.987 -10.597 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 -0.288 -49.060 -9.532 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 16.573 -46.951 17.691 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 16.622 -46.341 18.427 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 16.999 -46.490 16.968 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 16.965 -45.473 19.927 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 16.276 -44.815 19.832 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 16.980 -45.670 20.864 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 13.692 -46.635 14.812 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 13.477 -47.401 15.344 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 14.348 -46.163 15.325 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 14.039 -47.920 18.491 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 13.303 -47.309 18.453 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 14.723 -47.505 17.965 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 15.284 -49.874 8.907 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 14.385 -49.735 9.202 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 15.536 -49.043 8.505 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 17.391 -35.277 22.262 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 17.342 -36.232 22.225 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 16.565 -35.009 22.664 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 14.543 -43.784 22.742 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 14.136 -43.303 22.022 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 14.584 -44.689 22.435 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 16.936 -38.236 22.205 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 16.084 -37.998 21.838 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 17.526 -38.253 21.452 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 14.697 -46.404 21.298 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 13.781 -46.141 21.210 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 15.033 -46.407 20.401 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 9.806 -40.236 24.270 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 10.759 -40.152 24.242 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 9.646 -40.947 24.889 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 11.536 -43.728 24.835 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 11.728 -44.659 24.724 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 12.393 -43.303 24.825 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 12.852 -40.939 22.913 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 12.571 -40.230 22.335 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 13.795 -41.012 22.762 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 1.785 -46.233 23.691 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 1.996 -46.940 23.080 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 1.673 -46.671 24.535 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 6.566 -50.232 22.670 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 7.278 -50.872 22.656 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 6.465 -49.965 21.756 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 6.919 -48.549 24.724 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.788 -49.025 23.903 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 6.320 -47.805 24.668 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 15.116 -37.390 24.805 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 14.250 -37.495 25.199 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 15.492 -36.631 25.252 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 15.454 -40.589 22.345 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 16.037 -41.323 22.536 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 16.018 -39.817 22.391 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 16.951 -42.686 23.029 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 16.088 -43.065 22.864 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 17.555 -43.425 22.955 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 14.949 -43.658 19.380 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 14.106 -43.390 19.746 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 15.392 -42.836 19.169 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 -0.769 -45.210 22.857 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 0.150 -45.332 23.093 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 -1.219 -45.960 23.246 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 17.232 -49.678 24.734 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 17.582 -50.332 24.128 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 17.379 -48.841 24.294 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 16.752 -47.569 23.083 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 15.835 -47.298 23.047 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 16.875 -48.104 22.299 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 15.753 -49.479 20.902 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 14.940 -49.154 20.514 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 15.986 -50.239 20.369 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 14.325 -49.923 15.337 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 14.929 -49.375 14.836 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 13.456 -49.603 15.097 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 16.052 -48.784 13.671 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 16.664 -49.298 13.144 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 16.435 -47.906 13.694 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 11.646 -49.439 14.509 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 11.722 -49.344 13.560 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 11.370 -50.347 14.638 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 12.999 -49.413 10.202 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 12.296 -48.799 9.992 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 12.554 -50.251 10.333 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 1.467 -48.882 22.564 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 1.101 -49.647 23.007 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 2.380 -48.853 22.851 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 3.440 -49.531 24.100 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 4.339 -49.805 23.915 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 3.054 -50.274 24.564 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 -0.577 -43.260 30.801 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 -1.025 -42.414 30.783 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 -1.138 -43.840 30.286 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 0.114 -37.828 29.217 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 -0.158 -37.599 28.328 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 0.159 -36.990 29.677 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 9.363 -42.538 26.352 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 10.064 -42.516 27.003 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 9.665 -43.166 25.696 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 11.586 -41.624 27.950 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 12.165 -41.474 28.697 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 12.000 -41.153 27.227 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 3.350 -41.086 29.737 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 3.058 -40.318 29.246 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 2.676 -41.746 29.574 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 16.474 -35.508 26.140 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 16.547 -34.569 26.310 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 17.379 -35.813 26.083 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 11.886 -32.777 26.803 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 12.261 -33.521 26.332 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 11.890 -33.047 27.721 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 11.555 -32.851 29.552 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 10.620 -32.751 29.731 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 11.835 -33.560 30.130 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 13.063 -40.591 25.580 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 13.105 -40.814 24.650 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 13.912 -40.193 25.770 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 8.636 -46.715 26.250 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 8.382 -46.696 27.173 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 8.379 -47.587 25.949 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 0.035 -45.782 27.827 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 0.509 -45.191 27.242 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 -0.683 -45.251 28.174 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 5.462 -44.687 29.167 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 6.394 -44.558 29.345 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 5.247 -44.017 28.518 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 4.136 -43.492 26.734 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 3.594 -43.872 26.043 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 4.970 -43.298 26.305 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 7.471 -38.927 28.670 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 6.727 -39.434 28.347 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 7.337 -38.878 29.616 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 11.369 -46.113 26.869 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 10.431 -46.001 26.718 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 11.666 -45.256 27.175 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 9.597 -37.468 27.695 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 9.302 -36.642 28.077 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 8.894 -38.088 27.891 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 12.660 -37.274 26.510 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 13.013 -37.654 27.314 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 11.711 -37.367 26.596 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 17.164 -32.794 26.711 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 17.907 -32.208 26.571 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 16.469 -32.226 27.044 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 13.526 -38.601 28.736 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 13.249 -39.329 29.292 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 14.453 -38.482 28.942 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 5.688 -36.592 27.413 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 5.835 -37.112 28.203 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 5.685 -35.685 27.719 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 8.426 -34.894 28.162 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 7.609 -34.397 28.215 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 8.955 -34.419 27.522 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 5.764 -33.851 28.144 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 5.925 -33.051 27.643 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 5.567 -33.544 29.029 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 4.498 -47.153 27.760 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 4.415 -46.264 28.106 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 5.388 -47.418 27.991 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 2.757 -36.725 26.820 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 3.349 -36.026 27.096 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 3.216 -37.158 26.101 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 0.811 -35.339 30.770 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 -0.021 -34.866 30.797 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 1.357 -34.829 30.171 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 13.393 -34.482 25.329 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 13.676 -35.276 25.782 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 14.133 -34.249 24.768 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 5.497 -40.600 27.492 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 5.038 -41.084 28.178 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 5.752 -41.268 26.856 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 15.958 -40.002 25.200 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 15.685 -40.427 24.387 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 15.998 -39.071 24.983 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 6.466 -31.666 26.756 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 7.399 -31.508 26.900 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 6.202 -30.991 26.131 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 14.676 -46.531 25.058 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 15.286 -46.903 25.695 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 13.839 -46.953 25.254 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 0.247 -33.650 28.604 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 -0.438 -33.688 27.936 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 0.250 -32.737 28.892 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 2.207 -47.682 26.149 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 2.698 -48.312 25.621 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 2.830 -47.386 26.812 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 7.233 -47.389 28.606 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 7.411 -48.035 29.289 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 7.179 -46.555 29.073 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 9.111 -32.440 27.001 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 9.977 -32.074 26.823 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 8.864 -32.880 26.188 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 2.065 -32.730 25.629 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 1.797 -32.443 26.502 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 2.836 -33.276 25.781 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 1.889 -22.514 -19.695 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 1.931 -23.140 -18.971 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 2.592 -21.891 -19.513 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 4.206 -27.201 -23.282 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 4.249 -26.341 -23.700 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 3.748 -27.753 -23.915 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 0.826 -24.804 -22.520 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 1.480 -25.354 -22.088 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 0.850 -25.078 -23.436 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 2.610 -26.391 -21.255 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 3.223 -25.758 -20.882 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 3.122 -26.863 -21.912 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 14.039 -29.064 -19.221 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 13.303 -28.453 -19.259 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 14.723 -28.649 -19.747 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 7.042 -30.977 -21.755 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 6.925 -31.926 -21.809 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 6.187 -30.645 -21.482 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 12.612 -23.756 -17.235 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 12.692 -22.993 -16.663 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 12.011 -23.477 -17.926 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 5.607 -18.132 -16.070 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 5.295 -17.350 -15.614 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 4.957 -18.285 -16.756 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 2.527 -21.934 -16.841 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 2.597 -21.283 -16.143 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 1.636 -21.831 -17.176 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 14.543 -24.928 -14.970 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 14.136 -24.447 -15.690 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 14.584 -25.833 -15.277 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 4.311 -30.074 -20.977 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 3.450 -30.161 -21.385 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 4.289 -29.218 -20.550 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 12.300 -26.596 -16.749 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 11.786 -26.722 -15.952 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 12.145 -25.684 -16.994 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 4.402 -25.108 -19.882 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 3.760 -25.149 -19.173 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 4.439 -24.182 -20.120 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 2.152 -24.788 -18.015 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 2.114 -24.388 -17.147 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 1.661 -25.605 -17.925 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 -1.240 -27.672 -24.165 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 -0.609 -27.701 -23.445 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 -0.790 -28.097 -24.895 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 10.203 -23.387 -18.668 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 10.527 -24.018 -19.311 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 9.763 -23.922 -18.007 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 11.386 -28.225 -20.620 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 10.709 -28.094 -19.956 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 10.900 -28.380 -21.430 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 2.271 -20.079 -14.735 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 3.004 -19.825 -14.174 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 1.491 -19.875 -14.220 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 6.927 -26.284 -19.583 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 6.092 -25.830 -19.473 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 7.451 -26.008 -18.831 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 8.991 -19.887 -16.661 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 8.645 -20.268 -15.855 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 8.791 -18.953 -16.590 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 -0.396 -22.315 -16.814 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 -0.173 -22.733 -15.982 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 -0.998 -22.928 -17.236 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 9.973 -27.821 -18.366 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 10.671 -27.747 -17.716 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 9.592 -28.685 -18.211 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 8.493 -25.455 -17.249 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 8.612 -24.881 -16.492 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 9.148 -26.143 -17.134 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 14.697 -27.548 -16.414 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 13.781 -27.285 -16.502 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 15.033 -27.551 -17.311 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 1.881 -30.423 -21.959 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 1.652 -30.364 -22.886 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 1.438 -31.215 -21.652 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 0.007 -20.060 -13.514 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 0.151 -20.962 -13.800 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 -0.766 -19.774 -14.002 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 6.662 -20.090 -14.081 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 6.334 -19.819 -14.939 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 6.814 -21.031 -14.169 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 12.397 -20.174 -16.698 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 13.142 -19.586 -16.818 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 11.640 -19.592 -16.635 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 0.839 -22.860 -14.094 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 1.247 -23.717 -14.215 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 0.579 -22.845 -13.173 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 4.786 -23.851 -16.720 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 4.168 -23.176 -16.439 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 5.130 -23.530 -17.553 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 7.120 -22.687 -17.905 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 7.871 -22.843 -18.478 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 6.781 -21.835 -18.181 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 12.852 -22.083 -14.799 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 12.571 -21.374 -15.377 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 13.795 -22.156 -14.950 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 16.951 -23.830 -14.683 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 16.088 -24.209 -14.848 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 17.555 -24.569 -14.757 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 -0.769 -26.354 -14.855 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 0.150 -26.476 -14.619 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 -1.219 -27.104 -14.466 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 17.232 -30.822 -12.978 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 17.582 -31.476 -13.584 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 17.379 -29.985 -13.418 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 0.452 -28.042 -21.964 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 0.897 -28.834 -21.662 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 0.918 -27.326 -21.533 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 -1.244 -25.043 -20.895 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 -0.752 -25.264 -21.685 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 -0.882 -24.202 -20.614 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 16.752 -28.713 -14.629 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 15.835 -28.442 -14.665 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 16.875 -29.248 -15.413 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 15.753 -30.623 -16.810 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 14.940 -30.298 -17.198 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 15.986 -31.383 -17.343 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 9.183 -29.174 -22.487 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 8.508 -29.803 -22.232 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 9.747 -29.658 -23.090 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 1.509 -30.540 -24.665 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 0.732 -30.774 -25.173 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 2.040 -31.337 -24.657 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 11.646 -30.583 -23.203 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 11.722 -30.488 -24.152 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 11.370 -31.491 -23.074 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 10.588 -21.384 -5.851 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 10.677 -20.440 -5.983 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 9.949 -21.659 -6.509 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 13.227 -19.190 -4.130 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 12.786 -19.910 -3.680 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 13.214 -18.469 -3.500 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 10.338 -14.085 -3.918 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 10.958 -14.762 -4.191 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 10.130 -14.303 -3.010 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 10.385 -18.783 -6.808 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 10.089 -19.105 -7.659 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 10.061 -17.883 -6.766 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 11.991 -15.569 -5.157 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 12.416 -16.276 -5.642 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 12.308 -14.768 -5.574 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 13.150 -17.668 -6.648 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 12.893 -18.358 -7.260 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 13.221 -18.111 -5.803 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 12.715 -21.930 -7.447 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 11.983 -21.702 -6.874 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 13.162 -22.644 -6.992 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 9.312 -16.031 -6.327 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 9.786 -15.736 -5.549 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 8.749 -15.293 -6.560 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 15.284 -31.018 -9.949 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 14.385 -30.879 -9.654 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 15.536 -30.187 -10.351 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 17.391 -16.421 3.406 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 17.342 -17.376 3.369 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 16.565 -16.153 3.808 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 8.784 -13.075 -7.912 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 8.709 -13.196 -8.858 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 8.817 -12.125 -7.793 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 2.438 -14.286 -6.131 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 2.590 -14.634 -5.252 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 1.587 -14.642 -6.386 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 11.555 -13.995 -8.160 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 10.620 -13.895 -7.981 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 11.835 -14.704 -7.582 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 13.063 -21.735 -12.132 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 13.105 -21.958 -13.062 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 13.912 -21.337 -11.942 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 10.939 -25.025 -4.483 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 10.744 -24.420 -5.198 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 11.121 -25.859 -4.918 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 -1.240 -27.672 -5.309 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 -0.609 -27.701 -4.589 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 -0.790 -28.097 -6.039 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 0.035 -26.926 -9.885 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 0.509 -26.335 -10.470 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 -0.683 -26.395 -9.538 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 6.981 -27.460 -5.028 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 6.070 -27.403 -4.739 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 7.486 -27.520 -4.217 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 14.673 -12.553 4.513 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 14.873 -12.129 3.678 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 15.329 -12.210 5.120 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 8.301 -24.672 -3.141 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 8.865 -25.219 -3.688 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 8.153 -25.194 -2.352 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 9.597 -18.612 -10.017 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 9.302 -17.786 -9.635 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 8.894 -19.232 -9.821 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 11.241 -17.425 2.145 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 10.340 -17.242 1.877 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 11.275 -17.166 3.066 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 16.972 -25.180 -9.488 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 16.418 -25.576 -10.160 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 17.073 -24.270 -9.765 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 16.936 -19.380 3.349 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 16.084 -19.142 2.982 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 17.526 -19.397 2.596 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 0.726 -22.396 -11.281 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 1.342 -21.769 -10.902 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 -0.136 -22.080 -11.010 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 5.082 -14.573 -6.747 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 4.132 -14.468 -6.695 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 5.433 -13.753 -6.402 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 12.660 -18.418 -11.202 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 13.013 -18.798 -10.398 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 11.711 -18.511 -11.116 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 13.116 -14.795 2.193 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 12.514 -15.350 1.698 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 13.397 -14.128 1.567 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 13.526 -19.745 -8.976 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 13.249 -20.473 -8.420 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 14.453 -19.626 -8.770 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 6.751 -17.306 -12.755 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 6.990 -18.054 -13.303 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 6.482 -17.694 -11.923 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 5.688 -17.736 -10.299 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 5.835 -18.256 -9.509 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 5.685 -16.829 -9.993 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 8.426 -16.038 -9.550 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 7.609 -15.541 -9.497 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 8.955 -15.563 -10.190 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 5.764 -14.995 -9.568 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 5.925 -14.195 -10.069 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 5.567 -14.688 -8.683 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 2.757 -17.869 -10.892 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 3.349 -17.170 -10.616 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 3.216 -18.302 -11.611 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 14.386 -14.541 -1.840 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 14.230 -13.863 -2.497 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 15.318 -14.469 -1.637 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 0.811 -16.483 -6.942 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 -0.021 -16.010 -6.915 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 1.357 -15.973 -7.541 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 11.274 -16.571 4.737 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 10.923 -17.427 4.980 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 12.000 -16.428 5.344 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 4.348 -19.716 -12.526 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 4.412 -20.510 -11.995 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 5.001 -19.835 -13.215 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 9.700 -18.669 -12.790 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 9.432 -18.489 -11.889 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 9.494 -19.595 -12.921 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 0.034 -18.174 -11.473 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 0.948 -18.095 -11.200 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 0.041 -18.861 -12.140 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 -0.447 -14.700 -4.591 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 -0.781 -15.581 -4.419 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 -0.225 -14.355 -3.727 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 17.102 -13.891 -1.611 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 17.080 -13.706 -0.672 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 17.792 -13.322 -1.952 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 16.665 -14.324 1.311 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 16.178 -15.059 0.940 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 17.214 -14.717 1.989 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 15.116 -18.534 5.949 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 14.250 -18.639 6.343 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 15.492 -17.775 6.396 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 16.811 -22.224 -6.713 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 16.085 -22.703 -6.315 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 17.392 -22.018 -5.981 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 17.079 -22.323 -10.322 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 16.558 -21.966 -11.041 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 17.046 -21.648 -9.644 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 15.428 -25.083 -11.771 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 15.525 -24.416 -12.451 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 15.288 -25.899 -12.253 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 14.598 -23.703 -6.150 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 14.448 -24.648 -6.170 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 14.244 -23.422 -5.306 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 14.676 -27.675 -12.654 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 15.286 -28.047 -12.017 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 13.839 -28.097 -12.458 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 14.308 -26.120 -7.688 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 14.588 -27.027 -7.563 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 15.067 -25.686 -8.077 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 16.788 -28.790 -11.111 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 17.201 -29.511 -11.587 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 17.470 -28.120 -11.053 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 -0.931 -28.785 -7.984 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 -1.856 -28.576 -8.114 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 -0.477 -28.301 -8.674 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 13.840 -13.801 -6.039 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 14.493 -14.148 -6.647 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 14.351 -13.312 -5.393 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 1.581 -12.641 0.810 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 0.861 -12.201 0.359 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 1.215 -12.892 1.659 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 13.691 -12.705 0.256 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 13.509 -11.789 0.045 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 13.867 -13.115 -0.591 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 0.996 -14.018 -2.279 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 0.977 -14.443 -1.422 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 1.801 -14.336 -2.688 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 0.346 -30.742 -10.006 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 0.785 -30.131 -10.597 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 -0.288 -30.204 -9.532 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 0.247 -14.794 -9.108 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 -0.438 -14.832 -9.776 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 0.250 -13.881 -8.820 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 15.038 -15.270 4.119 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 14.256 -15.456 3.599 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 14.966 -14.341 4.336 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 13.227 -19.190 14.726 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 12.786 -19.910 15.176 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 13.214 -18.469 15.356 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 10.338 -14.085 14.938 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 10.958 -14.762 14.665 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 10.130 -14.303 15.846 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 16.573 -28.095 17.691 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 16.622 -27.485 18.427 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 16.999 -27.634 16.968 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 16.965 -26.617 19.927 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 16.276 -25.959 19.832 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 16.980 -26.814 20.864 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 10.385 -18.783 12.048 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 10.089 -19.105 11.197 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 10.061 -17.883 12.090 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 13.739 -17.350 17.074 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 12.797 -17.292 17.235 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 14.015 -16.444 16.937 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 11.991 -15.569 13.699 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 12.416 -16.276 13.214 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 12.308 -14.768 13.282 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 13.150 -17.668 12.208 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 12.893 -18.358 11.596 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 13.221 -18.111 13.053 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 16.678 -22.762 18.751 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 16.026 -22.067 18.840 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 17.143 -22.552 17.941 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 12.612 -23.756 20.477 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 12.692 -22.993 21.049 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 12.011 -23.477 19.786 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 11.036 -17.028 17.659 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 10.795 -16.366 18.307 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 10.838 -17.862 18.084 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 3.846 -16.060 22.406 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 3.854 -16.196 21.458 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 2.930 -16.178 22.658 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 16.474 -16.652 7.284 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 16.547 -15.713 7.454 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 17.379 -16.957 7.227 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 8.370 -16.847 21.138 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 8.457 -16.021 21.613 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 7.506 -17.177 21.387 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 11.886 -13.921 7.947 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 12.261 -14.665 7.476 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 11.890 -14.191 8.865 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 11.555 -13.995 10.696 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 10.620 -13.895 10.875 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 11.835 -14.704 11.274 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 14.543 -24.928 22.742 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 14.136 -24.447 22.022 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 14.584 -25.833 22.435 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 12.300 -26.596 20.963 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 11.786 -26.722 21.760 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 12.145 -25.684 20.718 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 9.037 -24.296 23.047 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 8.474 -25.000 23.367 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 9.863 -24.416 23.514 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 2.271 -20.079 22.977 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 3.004 -19.825 23.538 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 1.491 -19.875 23.492 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 14.621 -20.938 18.600 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 15.263 -20.481 18.057 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 13.791 -20.825 18.138 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 8.991 -19.887 21.051 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 8.645 -20.268 21.857 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 8.791 -18.953 21.122 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 9.597 -18.612 8.839 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 9.302 -17.786 9.221 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 8.894 -19.232 9.035 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 6.621 -22.798 23.111 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 6.325 -22.964 22.216 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 7.552 -23.018 23.101 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 11.241 -17.425 21.001 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 10.340 -17.242 20.733 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 11.275 -17.166 21.922 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 15.268 -16.394 9.833 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 14.895 -17.220 10.143 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 15.545 -16.577 8.936 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 12.428 -21.586 16.855 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 11.500 -21.818 16.828 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 12.879 -22.363 16.525 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 6.913 -15.446 18.879 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 7.276 -14.591 18.646 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 7.445 -15.738 19.620 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 10.457 -19.347 18.580 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 10.031 -19.574 19.406 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 11.038 -20.085 18.397 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 12.660 -18.418 7.654 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 13.013 -18.798 8.458 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 11.711 -18.511 7.740 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 13.526 -19.745 9.880 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 13.249 -20.473 10.436 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 14.453 -19.626 10.086 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 0.100 -13.870 23.244 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 0.640 -14.087 24.003 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 -0.381 -14.676 23.054 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 4.697 -14.951 24.864 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 5.465 -15.410 25.205 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 4.676 -15.177 23.934 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 13.393 -15.626 6.473 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 13.676 -16.420 6.926 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 14.133 -15.393 5.912 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 6.662 -20.090 23.631 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 6.334 -19.819 22.773 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 6.814 -21.031 23.543 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 9.700 -18.669 6.066 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 9.432 -18.489 6.967 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 9.494 -19.595 5.935 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 12.397 -20.174 21.014 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 13.142 -19.586 20.894 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 11.640 -19.592 21.077 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 9.806 -21.380 24.270 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 10.759 -21.296 24.242 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 9.646 -22.091 24.889 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 11.536 -24.872 24.835 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 11.728 -25.803 24.724 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 12.393 -24.447 24.825 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 12.852 -22.083 22.913 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 12.571 -21.374 22.335 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 13.795 -22.156 22.762 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 7.608 -26.348 23.562 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 7.372 -26.568 24.464 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 6.825 -26.555 23.053 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 11.958 -28.587 24.643 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 11.861 -29.539 24.637 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 11.636 -28.318 25.504 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 6.919 -29.693 24.724 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 6.788 -30.169 23.903 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 6.320 -28.949 24.668 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 16.570 -19.439 17.091 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 17.404 -19.817 16.810 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 16.682 -18.496 16.972 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 16.951 -23.830 23.029 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 16.088 -24.209 22.864 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 17.555 -24.569 22.955 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 14.949 -24.802 19.380 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 14.106 -24.534 19.746 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 15.392 -23.980 19.169 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 17.232 -30.822 24.734 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 17.582 -31.476 24.128 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 17.379 -29.985 24.294 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 1.225 -16.872 23.360 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 0.404 -16.697 22.900 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 0.973 -16.945 24.281 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 4.179 -15.897 19.619 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 3.754 -15.088 19.336 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 5.084 -15.812 19.317 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 8.490 -14.498 22.578 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 8.675 -14.832 23.456 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 9.337 -14.189 22.256 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 1.581 -12.641 19.666 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 0.861 -12.201 19.215 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 1.215 -12.892 20.515 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 4.048 -13.041 18.696 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 3.183 -12.969 19.100 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 3.993 -12.494 17.912 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 8.759 -13.153 17.872 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 8.302 -12.624 17.218 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 8.922 -12.550 18.597 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 11.086 -14.275 18.817 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 10.182 -14.110 18.551 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 11.515 -13.422 18.751 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 3.440 -30.675 24.100 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 4.339 -30.949 23.915 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 3.054 -31.418 24.564 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 11.862 -31.343 24.282 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 11.938 -31.769 25.136 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 12.755 -31.329 23.940 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 0.114 -18.972 29.217 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 -0.158 -18.743 28.328 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 0.159 -18.134 29.677 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 15.284 -31.018 27.763 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 14.385 -30.879 28.058 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 15.536 -30.187 27.361 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 8.636 -27.859 26.250 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 8.382 -27.840 27.173 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 8.379 -28.731 25.949 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 5.518 -27.414 25.351 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 5.087 -27.859 26.081 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 4.800 -27.042 24.839 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 0.035 -26.926 27.827 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 0.509 -26.335 27.242 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 -0.683 -26.395 28.174 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 4.136 -24.636 26.734 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 3.594 -25.016 26.043 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 4.970 -24.442 26.305 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 0.726 -22.396 26.431 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 1.342 -21.769 26.810 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 -0.136 -22.080 26.702 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 6.751 -17.306 24.957 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 6.990 -18.054 24.409 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 6.482 -17.694 25.789 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 2.141 -20.483 27.923 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 1.455 -20.131 28.490 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 2.664 -19.720 27.677 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 4.498 -28.297 27.760 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 4.415 -27.408 28.106 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 5.388 -28.562 27.991 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 2.757 -17.869 26.820 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 3.349 -17.170 27.096 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 3.216 -18.302 26.101 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 1.073 -25.205 25.936 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 1.028 -24.266 26.115 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 0.185 -25.441 25.666 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 4.348 -19.716 25.186 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 4.412 -20.510 25.717 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 5.001 -19.835 24.497 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 9.700 -18.669 24.922 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 9.432 -18.489 25.823 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 9.494 -19.595 24.791 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 5.497 -21.744 27.492 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 5.038 -22.228 28.178 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 5.752 -22.412 26.856 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 6.568 -23.501 25.755 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 6.388 -23.655 24.827 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 7.519 -23.393 25.799 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 14.676 -27.675 25.058 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 15.286 -28.047 25.695 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 13.839 -28.097 25.254 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 16.788 -28.790 26.601 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 17.201 -29.511 26.125 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 17.470 -28.120 26.659 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 -0.931 -28.785 29.728 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 -1.856 -28.576 29.598 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 -0.477 -28.301 29.038 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 0.346 -30.742 27.706 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 0.785 -30.131 27.115 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 -0.288 -30.204 28.180 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 0.247 -14.794 28.604 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 -0.438 -14.832 27.936 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 0.250 -13.881 28.892 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 2.207 -28.826 26.149 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 2.698 -29.456 25.621 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 2.830 -28.530 26.812 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 2.065 -13.874 25.629 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 1.797 -13.587 26.502 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 2.836 -14.420 25.781 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 11.051 -6.446 -1.698 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 11.194 -7.393 -1.678 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 10.945 -6.239 -2.627 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 3.016 -9.427 -0.352 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 2.797 -8.897 -1.118 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 2.348 -9.200 0.296 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 14.039 -10.208 -0.365 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 13.303 -9.597 -0.403 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 14.723 -9.793 -0.891 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 7.042 -12.121 -2.899 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 6.925 -13.070 -2.953 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 6.187 -11.789 -2.626 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 12.612 -4.900 1.621 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 12.692 -4.137 2.193 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 12.011 -4.621 0.930 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 14.543 -6.072 3.886 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 14.136 -5.591 3.166 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 14.584 -6.977 3.579 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 4.311 -11.218 -2.121 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 3.450 -11.305 -2.529 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 4.289 -10.362 -1.694 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 12.300 -7.740 2.107 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 11.786 -7.866 2.904 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 12.145 -6.828 1.862 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 9.037 -5.440 4.191 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 8.474 -6.144 4.511 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 9.863 -5.560 4.658 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 11.386 -9.369 -1.764 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 10.709 -9.238 -1.100 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 10.900 -9.524 -2.574 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 6.927 -7.428 -0.727 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 6.092 -6.974 -0.617 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 7.451 -7.152 0.025 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 1.238 -8.706 1.600 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 0.345 -8.367 1.533 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 1.139 -9.561 2.018 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 8.493 -6.599 1.607 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 8.612 -6.025 2.364 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 9.148 -7.287 1.722 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 14.697 -8.692 2.442 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 13.781 -8.429 2.354 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 15.033 -8.695 1.545 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 1.881 -11.567 -3.103 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 1.652 -11.508 -4.030 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 1.438 -12.359 -2.796 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 5.126 -7.640 3.219 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 5.276 -8.369 2.616 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 5.128 -6.863 2.660 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 5.538 -9.270 0.711 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 6.074 -8.819 0.059 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 4.686 -9.378 0.289 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 11.536 -6.016 5.979 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 11.728 -6.947 5.868 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 12.393 -5.591 5.969 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 3.604 -6.442 5.130 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 2.837 -6.974 4.920 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 4.283 -6.752 4.531 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 7.608 -7.492 4.706 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 7.372 -7.712 5.608 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 6.825 -7.699 4.197 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 1.785 -8.521 4.835 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 1.996 -9.228 4.224 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 1.673 -8.959 5.679 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 17.232 -11.966 5.878 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 17.582 -12.620 5.272 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 17.379 -11.129 5.438 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 16.752 -9.857 4.227 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 15.835 -9.586 4.191 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 16.875 -10.392 3.443 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 -0.967 -11.191 0.360 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 -1.632 -11.437 1.003 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 -1.410 -10.569 -0.217 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 15.753 -11.767 2.046 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 14.940 -11.442 1.658 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 15.986 -12.527 1.513 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 9.183 -10.318 -3.631 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.508 -10.947 -3.376 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 9.747 -10.802 -4.234 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 14.325 -12.211 -3.519 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 14.929 -11.663 -4.020 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 13.456 -11.891 -3.759 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 1.509 -11.684 -5.809 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 0.732 -11.918 -6.317 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 2.040 -12.481 -5.801 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 6.089 -11.757 -5.996 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 6.963 -11.369 -6.026 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 5.953 -11.972 -5.073 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 11.646 -11.727 -4.347 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 11.722 -11.632 -5.296 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 11.370 -12.635 -4.218 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 1.467 -11.170 3.708 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 1.101 -11.935 4.151 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 2.380 -11.141 3.995 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 1.889 -3.658 18.017 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 1.931 -4.284 18.741 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 2.592 -3.035 18.199 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 -0.577 -5.548 11.945 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 -1.025 -4.702 11.927 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 -1.138 -6.128 11.430 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 0.133 -3.386 14.071 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 0.347 -4.156 14.598 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 0.871 -3.297 13.468 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 4.206 -8.345 14.430 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 4.249 -7.485 14.012 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 3.748 -8.897 13.797 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 0.826 -5.948 15.192 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 1.480 -6.498 15.624 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 0.850 -6.222 14.276 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 3.016 -9.427 18.504 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 2.797 -8.897 17.738 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 2.348 -9.200 19.152 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 2.610 -7.535 16.457 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 3.223 -6.902 16.830 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 3.122 -8.007 15.800 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 7.042 -12.121 15.957 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 6.925 -13.070 15.903 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 6.187 -11.789 16.230 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 15.284 -12.162 8.907 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 14.385 -12.023 9.202 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 15.536 -11.331 8.505 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 4.311 -11.218 16.735 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 3.450 -11.305 16.327 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 4.289 -10.362 17.162 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 8.636 -9.003 7.394 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 8.382 -8.984 8.317 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 8.379 -9.875 7.093 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 4.402 -6.252 17.830 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 3.760 -6.293 18.539 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 4.439 -5.326 17.592 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 4.399 -6.031 12.742 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 3.506 -6.372 12.683 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 4.850 -6.408 11.986 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 2.152 -5.932 19.697 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 2.114 -5.532 20.565 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 1.661 -6.749 19.787 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 5.518 -8.558 6.495 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 5.087 -9.003 7.225 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 4.800 -8.186 5.983 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 0.035 -8.070 8.971 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 0.509 -7.479 8.386 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 -0.683 -7.539 9.318 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 6.981 -8.604 13.828 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 6.070 -8.547 14.117 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 7.486 -8.664 14.639 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 1.809 -6.975 12.655 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 0.920 -6.875 12.315 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 2.105 -7.817 12.309 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 5.462 -6.975 10.311 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 6.394 -6.846 10.489 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 5.247 -6.305 9.662 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 4.136 -5.780 7.878 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 3.594 -6.160 7.187 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 4.970 -5.586 7.449 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 3.303 -9.680 12.133 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 2.986 -10.582 12.098 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 4.084 -9.678 11.581 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 11.369 -8.401 8.013 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 10.431 -8.289 7.862 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 11.666 -7.544 8.319 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 -0.396 -3.459 20.898 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 -0.173 -3.877 21.730 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 -0.998 -4.072 20.476 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 1.238 -8.706 20.456 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 0.345 -8.367 20.389 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 1.139 -9.561 20.874 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 10.757 -9.313 10.443 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 10.977 -8.841 9.640 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 11.315 -8.918 11.114 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 7.957 -7.585 11.278 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 8.769 -7.081 11.324 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 7.712 -7.730 12.192 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 8.841 -10.504 12.216 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 8.494 -9.886 12.861 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 9.499 -10.003 11.735 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 1.073 -6.349 7.080 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 1.028 -5.410 7.259 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 0.185 -6.585 6.810 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 5.538 -9.270 19.567 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 6.074 -8.819 18.915 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 4.686 -9.378 19.145 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 -0.367 -2.769 16.716 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 -0.183 -2.851 15.781 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 0.482 -2.893 17.140 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 14.676 -8.819 6.202 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 15.286 -9.191 6.839 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 13.839 -9.241 6.398 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 -0.769 -7.498 22.857 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 0.150 -7.620 23.093 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 -1.219 -8.248 23.246 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 -0.931 -9.929 10.872 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 -1.856 -9.720 10.742 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 -0.477 -9.445 10.182 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 9.183 -10.318 15.225 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 8.508 -10.947 15.480 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 9.747 -10.802 14.622 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 11.646 -11.727 14.509 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 11.722 -11.632 13.560 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 11.370 -12.635 14.638 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 12.999 -11.701 10.202 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 12.296 -11.087 9.992 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 12.554 -12.539 10.333 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 7.233 -9.677 9.750 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 7.411 -10.323 10.433 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 7.179 -8.843 10.217 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 1.467 -11.170 22.564 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 1.101 -11.935 23.007 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 2.380 -11.141 22.851 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 18.956 -51.582 -14.468 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 19.496 -51.799 -13.709 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 18.475 -52.388 -14.658 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 20.745 -60.226 -0.839 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 20.787 -60.852 -0.115 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 21.448 -59.603 -0.657 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 21.669 -55.776 -2.304 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 21.299 -56.578 -2.673 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 22.610 -55.945 -2.257 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 18.989 -59.954 -4.785 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 19.203 -60.724 -4.258 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 19.727 -59.865 -5.388 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 19.682 -62.516 -3.664 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 20.336 -63.066 -3.232 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 19.706 -62.790 -4.580 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 24.441 -58.319 -0.064 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 23.701 -57.721 0.039 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 25.155 -57.765 -0.380 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 22.849 -56.355 0.723 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 22.843 -55.476 0.345 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 21.995 -56.438 1.148 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 18.970 -56.684 -8.495 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 18.698 -56.455 -9.384 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 19.015 -55.846 -8.035 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 24.583 -55.584 -2.883 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 24.488 -56.162 -3.640 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 25.312 -55.955 -2.387 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 24.463 -55.844 2.786 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 24.151 -55.062 3.242 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 23.813 -55.997 2.100 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 21.383 -59.646 2.015 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 21.453 -58.995 2.713 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 20.492 -59.543 1.680 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 22.702 -53.772 3.550 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 22.710 -53.908 2.602 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 21.786 -53.890 3.802 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 21.294 -51.998 -6.131 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 21.446 -52.346 -5.252 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 20.443 -52.354 -6.386 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 21.008 -62.500 0.841 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 20.970 -62.100 1.709 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 20.517 -63.317 0.931 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 21.127 -57.791 4.121 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 21.860 -57.537 4.682 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 20.347 -57.587 4.636 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 21.452 -58.488 -3.273 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 22.197 -58.490 -3.874 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 21.530 -59.312 -2.791 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 18.460 -60.027 2.042 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 18.683 -60.445 2.874 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 17.858 -60.640 1.620 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 23.827 -54.970 -5.868 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 24.354 -54.197 -6.069 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 22.947 -54.745 -6.170 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 25.769 -53.158 0.023 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 26.132 -52.303 -0.210 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 26.301 -53.450 0.764 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 23.938 -52.285 -6.747 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 22.988 -52.180 -6.695 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 24.289 -51.465 -6.402 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 19.667 -54.195 -6.942 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 18.835 -53.722 -6.915 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 20.213 -53.685 -7.541 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 23.553 -52.663 6.008 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 24.321 -53.122 6.349 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 23.532 -52.889 5.078 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 18.863 -57.772 5.342 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 19.007 -58.674 5.056 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 18.090 -57.486 4.854 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 19.695 -60.572 4.762 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 20.103 -61.429 4.641 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 19.435 -60.557 5.683 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 18.489 -59.337 -2.140 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 18.673 -59.419 -3.075 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 19.338 -59.461 -1.716 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 17.612 -62.755 -2.039 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 18.104 -62.976 -2.829 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 17.974 -61.914 -1.758 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 24.530 -52.550 -2.776 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 24.743 -53.438 -3.063 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 24.595 -52.584 -1.821 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 19.103 -52.506 -9.108 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 18.418 -52.544 -9.776 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 19.106 -51.593 -8.820 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 20.921 -51.586 -12.083 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 20.653 -51.299 -11.210 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 21.692 -52.132 -11.931 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 18.970 -56.684 10.361 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 18.698 -56.455 9.472 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 19.015 -55.846 10.821 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 19.582 -60.108 7.575 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 20.198 -59.481 7.954 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 18.720 -59.792 7.846 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 20.997 -58.195 9.067 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 20.311 -57.843 9.634 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 21.520 -57.432 8.821 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 21.613 -55.581 7.964 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 22.205 -54.882 8.240 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 22.072 -56.014 7.245 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 19.667 -54.195 11.914 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 18.835 -53.722 11.941 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 20.213 -53.685 11.315 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 23.204 -57.428 6.330 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 23.268 -58.222 6.861 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 23.857 -57.547 5.641 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 17.539 -50.493 12.460 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 16.892 -50.955 11.927 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 17.894 -51.165 13.043 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 18.409 -52.412 14.265 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 18.075 -53.293 14.437 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 18.631 -52.067 15.129 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 19.103 -52.506 9.748 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 18.418 -52.544 9.080 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 19.106 -51.593 10.036 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 20.921 -51.586 6.773 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 20.653 -51.299 7.646 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 21.692 -52.132 6.925 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 18.863 -38.916 -13.514 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 19.007 -39.818 -13.800 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 18.090 -38.630 -14.002 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 20.641 -46.233 -14.021 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 20.852 -46.940 -14.632 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 20.529 -46.671 -13.177 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 18.087 -45.210 -14.855 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 19.006 -45.332 -14.619 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 17.637 -45.960 -14.466 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 20.323 -48.882 -15.148 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 19.957 -49.647 -14.705 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 21.236 -48.853 -14.861 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 20.745 -41.370 -0.839 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 20.787 -41.996 -0.115 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 21.448 -40.747 -0.657 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 21.669 -36.920 -2.304 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 21.299 -37.722 -2.673 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 22.610 -37.089 -2.257 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 23.062 -46.057 -4.426 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 23.105 -45.197 -4.844 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 22.604 -46.609 -5.059 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 24.838 -42.110 -4.448 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 25.454 -42.636 -3.939 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 24.252 -42.750 -4.852 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 24.441 -39.463 -0.064 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 23.701 -38.865 0.039 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 25.155 -38.909 -0.380 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 22.849 -37.499 0.723 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 22.843 -36.620 0.345 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 21.995 -37.582 1.148 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 18.970 -37.828 -8.495 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 18.698 -37.599 -9.384 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 19.015 -36.990 -8.035 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 25.898 -49.833 -2.899 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 25.781 -50.782 -2.953 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 25.043 -49.501 -2.626 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 23.216 -40.156 -5.564 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 22.886 -40.526 -6.383 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 23.804 -40.826 -5.218 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 24.583 -36.728 -2.883 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 24.488 -37.306 -3.640 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 25.312 -37.099 -2.387 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 23.583 -41.387 -1.931 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 24.148 -41.266 -2.694 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 23.902 -40.750 -1.292 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 24.463 -36.988 2.786 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 24.151 -36.206 3.242 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 23.813 -37.141 2.100 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 21.383 -40.790 2.015 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 21.453 -40.139 2.713 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 20.492 -40.687 1.680 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 22.206 -41.086 -7.975 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 21.914 -40.318 -8.466 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 21.532 -41.746 -8.138 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 27.226 -35.703 2.282 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 27.313 -34.877 2.757 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 26.362 -36.033 2.531 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 23.258 -43.964 -1.026 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 22.616 -44.005 -0.317 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 23.295 -43.038 -1.264 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 23.255 -43.743 -6.114 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 22.362 -44.084 -6.173 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 23.706 -44.120 -6.870 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 18.891 -45.782 -9.885 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 19.365 -45.191 -10.470 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 18.173 -45.251 -9.538 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 25.837 -46.316 -5.028 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 24.926 -46.259 -4.739 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 26.342 -46.376 -4.217 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 20.665 -44.687 -6.201 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 19.776 -44.587 -6.541 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 20.961 -45.529 -6.547 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 22.159 -47.392 -6.723 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 21.842 -48.294 -6.758 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 22.940 -47.390 -7.275 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 25.783 -45.140 -0.727 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 24.948 -44.686 -0.617 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 26.307 -44.864 0.025 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 21.452 -39.632 -3.273 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 22.197 -39.634 -3.874 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 21.530 -40.456 -2.791 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 23.827 -36.114 -5.868 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 24.354 -35.341 -6.069 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 22.947 -35.889 -6.170 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 19.582 -41.252 -11.281 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 20.198 -40.625 -10.902 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 18.720 -40.936 -11.010 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 25.769 -34.302 0.023 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 26.132 -33.447 -0.210 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 26.301 -34.594 0.764 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 23.938 -33.429 -6.747 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 22.988 -33.324 -6.695 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 24.289 -32.609 -6.402 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 23.354 -47.153 -9.952 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 23.271 -46.264 -9.606 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 24.244 -47.418 -9.721 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 19.929 -44.061 -11.776 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 19.884 -43.122 -11.597 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 19.041 -44.297 -12.046 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 19.667 -35.339 -6.942 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 18.835 -34.866 -6.915 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 20.213 -34.829 -7.541 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 23.553 -33.807 6.008 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 24.321 -34.266 6.349 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 23.532 -34.033 5.078 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 25.518 -38.946 4.775 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 25.190 -38.675 3.917 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 25.670 -39.887 4.687 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 23.642 -42.707 2.136 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 23.024 -42.032 2.417 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 23.986 -42.386 1.303 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 23.982 -45.352 3.219 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 24.132 -46.081 2.616 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 23.984 -44.575 2.660 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 24.394 -46.982 0.711 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 24.930 -46.531 0.059 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 23.542 -47.090 0.289 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 22.460 -44.154 5.130 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 21.693 -44.686 4.920 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 23.139 -44.464 4.531 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 25.200 -49.526 1.143 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 25.102 -48.579 1.037 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 24.457 -49.898 0.667 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 20.641 -46.233 4.835 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 20.852 -46.940 4.224 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 20.529 -46.671 5.679 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 25.422 -50.232 3.814 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 26.134 -50.872 3.800 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 25.321 -49.965 2.900 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 18.890 -37.030 -11.473 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 19.804 -36.951 -11.200 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 18.897 -37.717 -12.140 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 17.539 -31.637 -6.396 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 16.892 -32.099 -6.929 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 17.894 -32.309 -5.813 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 18.489 -40.481 -2.140 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 18.673 -40.563 -3.075 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 19.338 -40.605 -1.716 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 27.346 -33.354 3.722 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 27.531 -33.688 4.600 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 28.193 -33.045 3.400 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 27.615 -32.009 -0.984 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 27.158 -31.480 -1.638 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 27.778 -31.406 -0.259 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 24.530 -33.694 -2.776 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 24.743 -34.582 -3.063 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 24.595 -33.728 -1.821 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 19.202 -49.598 -10.006 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 19.641 -48.987 -10.597 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 18.568 -49.060 -9.532 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 24.945 -49.469 -5.996 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 25.819 -49.081 -6.026 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 24.809 -49.684 -5.073 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 19.103 -33.650 -9.108 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 18.418 -33.688 -9.776 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 19.106 -32.737 -8.820 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 21.063 -47.682 -11.563 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 21.554 -48.312 -12.091 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 21.686 -47.386 -10.900 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 22.296 -49.531 5.244 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 23.195 -49.805 5.059 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 21.910 -50.274 5.708 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 20.745 -41.370 18.017 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 20.787 -41.996 18.741 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 21.448 -40.747 18.199 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 21.669 -36.920 16.552 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 21.299 -37.722 16.183 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 22.610 -37.089 16.599 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 23.062 -46.057 14.430 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 23.105 -45.197 14.012 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 22.604 -46.609 13.797 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 24.838 -42.110 14.408 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 25.454 -42.636 14.917 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 24.252 -42.750 14.004 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 24.441 -39.463 18.792 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 23.701 -38.865 18.895 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 25.155 -38.909 18.476 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 21.466 -45.247 16.457 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 22.079 -44.614 16.830 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 21.978 -45.719 15.800 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 22.849 -37.499 19.579 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 22.843 -36.620 19.201 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 21.995 -37.582 20.004 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 23.216 -40.156 13.292 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 22.886 -40.526 12.473 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 23.804 -40.826 13.638 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 24.583 -36.728 15.973 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 24.488 -37.306 15.216 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 25.312 -37.099 16.469 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 23.583 -41.387 16.925 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 24.148 -41.266 16.162 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 23.902 -40.750 17.564 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 21.383 -40.790 20.871 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 21.453 -40.139 21.569 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 20.492 -40.687 20.536 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 22.206 -41.086 10.881 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 21.914 -40.318 10.390 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 21.532 -41.746 10.718 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 18.299 -38.723 19.696 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 17.798 -38.751 18.881 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 18.305 -39.629 20.006 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 27.640 -31.931 10.944 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 27.565 -32.052 9.998 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 27.673 -30.981 11.063 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 20.548 -37.400 20.739 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 20.765 -37.761 21.599 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 19.693 -37.774 20.529 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 23.258 -43.964 17.830 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 22.616 -44.005 18.539 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 23.295 -43.038 17.592 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 23.255 -43.743 12.742 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 22.362 -44.084 12.683 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 23.706 -44.120 11.986 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 21.008 -43.644 19.697 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 20.970 -43.244 20.565 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 20.517 -44.461 19.787 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 24.374 -46.270 6.495 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 23.943 -46.715 7.225 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 23.656 -45.898 5.983 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 17.616 -46.528 13.547 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 18.247 -46.557 14.267 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 18.066 -46.953 12.817 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 18.891 -45.782 8.971 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 19.365 -45.191 8.386 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 18.173 -45.251 9.318 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 20.665 -44.687 12.655 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 19.776 -44.587 12.315 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 20.961 -45.529 12.309 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 22.992 -43.492 7.878 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 22.450 -43.872 7.187 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 23.826 -43.298 7.449 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 18.460 -41.171 20.898 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 18.683 -41.589 21.730 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 17.858 -41.784 20.476 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 23.827 -36.114 12.988 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 24.354 -35.341 12.787 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 22.947 -35.889 12.686 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 25.254 -38.451 12.564 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 25.013 -37.526 12.606 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 24.514 -38.910 12.960 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 23.938 -33.429 12.109 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 22.988 -33.324 12.161 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 24.289 -32.609 12.454 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 19.745 -34.613 18.891 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 19.962 -35.545 18.860 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 19.992 -34.339 19.775 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 25.607 -36.162 6.101 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 25.846 -36.910 5.553 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 25.338 -36.550 6.933 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 24.544 -36.592 8.557 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 24.691 -37.112 9.347 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 24.541 -35.685 8.863 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 20.997 -39.339 9.067 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 20.311 -38.987 9.634 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 21.520 -38.576 8.821 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 24.620 -33.851 9.288 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 24.781 -33.051 8.787 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 24.423 -33.544 10.173 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.613 -36.725 7.964 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 22.205 -36.026 8.240 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 22.072 -37.158 7.245 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 19.929 -44.061 7.080 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 19.884 -43.122 7.259 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 19.041 -44.297 6.810 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 18.956 -32.726 23.244 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 19.496 -32.943 24.003 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 18.475 -33.532 23.054 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 23.204 -38.572 6.330 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 23.268 -39.366 6.861 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 23.857 -38.691 5.641 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 25.322 -31.666 7.900 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 26.255 -31.508 8.044 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 25.058 -30.991 7.275 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 19.308 -46.898 15.748 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 19.753 -47.690 16.050 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 19.774 -46.182 16.179 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 17.612 -43.899 16.817 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 18.104 -44.120 16.027 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 17.974 -43.058 17.098 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 17.925 -47.641 10.872 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 17.000 -47.432 10.742 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 18.379 -47.157 10.182 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 17.889 -48.903 19.216 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 17.224 -49.149 19.859 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 17.446 -48.281 18.639 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 20.081 -35.728 23.360 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 19.260 -35.553 22.900 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 19.829 -35.801 24.281 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 23.035 -34.753 19.619 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 22.610 -33.944 19.336 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 23.940 -34.668 19.317 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 20.437 -31.497 19.666 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 19.717 -31.057 19.215 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 20.071 -31.748 20.515 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 22.904 -31.897 18.696 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 22.039 -31.825 19.100 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 22.849 -31.350 17.912 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 21.993 -34.164 15.232 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 21.774 -35.080 15.401 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 22.817 -34.024 15.698 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 24.530 -33.694 16.080 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 24.743 -34.582 15.793 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 24.595 -33.728 17.035 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 19.202 -49.598 8.850 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 19.641 -48.987 8.259 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 18.568 -49.060 9.324 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 21.063 -47.682 7.293 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 21.554 -48.312 6.765 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 21.686 -47.386 7.956 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 20.921 -32.730 25.629 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 20.653 -32.443 26.502 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 21.692 -33.276 25.781 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 20.745 -22.514 -0.839 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 20.787 -23.140 -0.115 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 21.448 -21.891 -0.657 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 18.279 -24.404 -6.911 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 17.831 -23.558 -6.929 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 17.718 -24.984 -7.426 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 18.989 -22.242 -4.785 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 19.203 -23.012 -4.258 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 19.727 -22.153 -5.388 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 23.062 -27.201 -4.426 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 23.105 -26.341 -4.844 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 22.604 -27.753 -5.059 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 19.682 -24.804 -3.664 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 20.336 -25.354 -3.232 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 19.706 -25.078 -4.580 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 21.872 -28.283 -0.352 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 21.653 -27.753 -1.118 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 21.204 -28.056 0.296 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 21.466 -26.391 -2.399 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 22.079 -25.758 -2.026 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 21.978 -26.863 -3.056 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 25.898 -30.977 -2.899 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 25.781 -31.926 -2.953 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 25.043 -30.645 -2.626 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 23.583 -22.531 -1.931 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 24.148 -22.410 -2.694 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 23.902 -21.894 -1.292 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 21.383 -21.934 2.015 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 21.453 -21.283 2.713 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 20.492 -21.831 1.680 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 18.299 -19.867 0.840 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 17.798 -19.895 0.025 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 18.305 -20.773 1.150 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 18.050 -17.087 -2.276 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 18.996 -17.231 -2.295 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 17.937 -16.303 -1.739 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 20.548 -18.544 1.883 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 20.765 -18.905 2.743 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 19.693 -18.918 1.673 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 27.830 -30.352 1.253 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 28.250 -30.767 2.006 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 26.897 -30.530 1.370 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 23.258 -25.108 -1.026 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 22.616 -25.149 -0.317 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 23.295 -24.182 -1.264 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 27.893 -24.296 4.191 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 27.330 -25.000 4.511 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 28.719 -24.416 4.658 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 17.616 -27.672 -5.309 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 18.247 -27.701 -4.589 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 18.066 -28.097 -6.039 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 20.665 -25.831 -6.201 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 19.776 -25.731 -6.541 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 20.961 -26.673 -6.547 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 21.127 -20.079 4.121 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 21.860 -19.825 4.682 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 20.347 -19.875 4.636 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 22.159 -28.536 -6.723 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 21.842 -29.438 -6.758 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 22.940 -28.534 -7.275 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 25.783 -26.284 -0.727 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 24.948 -25.830 -0.617 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 26.307 -26.008 0.025 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 21.452 -20.776 -3.273 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 22.197 -20.778 -3.874 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 21.530 -21.600 -2.791 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 25.477 -22.798 4.255 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 25.181 -22.964 3.360 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 26.408 -23.018 4.245 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 19.745 -15.757 0.035 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 19.962 -16.689 0.004 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 19.992 -15.483 0.919 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 27.349 -25.455 1.607 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 27.468 -24.881 2.364 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 28.004 -26.143 1.722 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 18.863 -20.060 5.342 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 19.007 -20.962 5.056 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 18.090 -19.774 4.854 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 23.642 -23.851 2.136 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 23.024 -23.176 2.417 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 23.986 -23.530 1.303 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 24.394 -28.126 0.711 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 24.930 -27.675 0.059 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 23.542 -28.234 0.289 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 25.976 -22.687 0.951 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 26.727 -22.843 0.378 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 25.637 -21.835 0.675 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 25.200 -30.670 1.143 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 25.102 -29.723 1.037 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 24.457 -31.042 0.667 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 26.464 -26.348 4.706 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 26.228 -26.568 5.608 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 25.681 -26.555 4.197 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 25.422 -31.376 3.814 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 26.134 -32.016 3.800 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 25.321 -31.109 2.900 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 25.775 -29.693 5.868 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 25.644 -30.169 5.047 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 25.176 -28.949 5.812 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 18.489 -21.625 -2.140 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 18.673 -21.707 -3.075 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 19.338 -21.749 -1.716 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 19.308 -28.042 -3.108 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 19.753 -28.834 -2.806 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 19.774 -27.326 -2.677 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 17.925 -28.785 -7.984 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 17.000 -28.576 -8.114 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 18.379 -28.301 -8.674 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 20.081 -16.872 4.504 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 19.260 -16.697 4.044 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 19.829 -16.945 5.425 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 20.365 -30.540 -5.809 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 19.588 -30.774 -6.317 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 20.896 -31.337 -5.801 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 19.202 -30.742 -10.006 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 19.641 -30.131 -10.597 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 18.568 -30.204 -9.532 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 24.945 -30.613 -5.996 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 25.819 -30.225 -6.026 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 24.809 -30.828 -5.073 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 20.745 -22.514 18.017 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 20.787 -23.140 18.741 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 21.448 -21.891 18.199 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 23.062 -27.201 14.430 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 23.105 -26.341 14.012 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 22.604 -27.753 13.797 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 19.682 -24.804 15.192 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 20.336 -25.354 15.624 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 19.706 -25.078 14.276 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 24.838 -23.254 14.408 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 25.454 -23.780 14.917 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 24.252 -23.894 14.004 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 21.872 -28.283 18.504 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 21.653 -27.753 17.738 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 21.204 -28.056 19.152 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 21.466 -26.391 16.457 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 22.079 -25.758 16.830 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 21.978 -26.863 15.800 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.970 -18.972 10.361 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 18.698 -18.743 9.472 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 19.015 -18.134 10.821 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 25.898 -30.977 15.957 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 25.781 -31.926 15.903 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 25.043 -30.645 16.230 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 23.216 -21.300 13.292 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 22.886 -21.670 12.473 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 23.804 -21.970 13.638 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 23.167 -30.074 16.735 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 22.306 -30.161 16.327 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 23.145 -29.218 17.162 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 27.492 -27.859 7.394 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 27.238 -27.840 8.317 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 27.235 -28.731 7.093 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 23.255 -24.887 12.742 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 22.362 -25.228 12.683 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 23.706 -25.264 11.986 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 25.837 -27.460 13.828 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 24.926 -27.403 14.117 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 26.342 -27.520 14.639 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 20.665 -25.831 12.655 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.776 -25.731 12.315 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 20.961 -26.673 12.309 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 24.318 -25.831 10.311 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 25.250 -25.702 10.489 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 24.103 -25.161 9.662 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 22.992 -24.636 7.878 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 22.450 -25.016 7.187 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 23.826 -24.442 7.449 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 21.452 -20.776 15.583 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 22.197 -20.778 14.982 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 21.530 -21.600 16.065 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 20.094 -27.562 20.456 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 19.201 -27.223 20.389 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 19.995 -28.417 20.874 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 20.997 -20.483 9.067 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 20.311 -20.131 9.634 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 21.520 -19.720 8.821 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 23.354 -28.297 8.904 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 23.271 -27.408 9.250 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 24.244 -28.562 9.135 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 21.613 -17.869 7.964 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 22.205 -17.170 8.240 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 22.072 -18.302 7.245 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 20.737 -30.423 15.753 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 20.508 -30.364 14.826 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.294 -31.215 16.060 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 19.667 -16.483 11.914 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 18.835 -16.010 11.941 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 20.213 -15.973 11.315 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 23.204 -19.716 6.330 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 23.268 -20.510 6.861 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 23.857 -19.835 5.641 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 24.353 -21.744 8.636 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 23.894 -22.228 9.322 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 24.608 -22.412 8.000 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 25.424 -23.501 6.899 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 25.244 -23.655 5.971 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 26.375 -23.393 6.943 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 20.641 -27.377 23.691 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 20.852 -28.084 23.080 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 20.529 -27.815 24.535 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 18.890 -18.174 7.383 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.804 -18.095 7.656 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.897 -18.861 6.716 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 18.489 -21.625 16.716 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 18.673 -21.707 15.781 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 19.338 -21.749 17.140 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 18.087 -26.354 22.857 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 19.006 -26.476 23.093 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 17.637 -27.104 23.246 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 19.308 -28.042 15.748 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 19.753 -28.834 16.050 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 19.774 -27.326 16.179 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 17.612 -25.043 16.817 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 18.104 -25.264 16.027 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 17.974 -24.202 17.098 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 24.945 -30.613 12.860 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 25.819 -30.225 12.830 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 24.809 -30.828 13.783 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 26.089 -28.533 9.750 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 26.267 -29.179 10.433 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 26.035 -27.699 10.217 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 20.323 -30.026 22.564 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 19.957 -30.791 23.007 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 21.236 -29.997 22.851 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 22.296 -30.675 24.100 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 23.195 -30.949 23.915 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 21.910 -31.418 24.564 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 19.202 -30.742 27.706 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 19.641 -30.131 27.115 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 18.568 -30.204 28.180 0.00 0.00 WAT1 END