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 12:09:01 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 5.075 -7.955 -14.568 1.00 35.24 ATOM 2 CB MET 1 4.260 -6.174 -13.711 1.00 62.41 ATOM 3 HB1 MET 1 4.313 -5.656 -12.764 1.00 37.46 ATOM 4 HB2 MET 1 3.258 -6.560 -13.843 1.00 43.20 ATOM 5 CG MET 1 4.561 -5.178 -14.819 1.00 71.32 ATOM 6 HG1 MET 1 4.862 -5.716 -15.710 1.00 37.46 ATOM 7 HG2 MET 1 5.368 -4.537 -14.499 1.00 63.41 ATOM 8 SD MET 1 3.140 -4.146 -15.230 1.00 25.41 ATOM 9 CE MET 1 3.626 -3.527 -16.839 1.00 2.54 ATOM 10 HE1 MET 1 2.854 -2.877 -17.223 1.00 32.01 ATOM 11 HE2 MET 1 3.768 -4.356 -17.516 1.00 4.13 ATOM 12 HE3 MET 1 4.549 -2.974 -16.748 1.00 62.53 ATOM 13 C MET 1 6.665 -6.860 -13.653 1.00 45.24 ATOM 14 O MET 1 6.957 -5.807 -13.088 1.00 22.02 ATOM 15 N MET 1 4.949 -8.205 -12.520 1.00 63.01 ATOM 16 HT1 MET 1 3.968 -8.557 -12.555 1.00 37.46 ATOM 17 HT2 MET 1 5.080 -7.673 -11.631 1.00 37.46 ATOM 18 HT3 MET 1 5.590 -9.027 -12.512 1.00 37.46 ATOM 19 CA MET 1 5.225 -7.361 -13.677 1.00 60.21 ATOM 20 N GLY 2 7.563 -7.622 -14.272 1.00 1.35 ATOM 21 HN GLY 2 7.272 -8.452 -14.719 1.00 37.46 ATOM 22 CA GLY 2 8.962 -7.238 -14.309 1.00 1.13 ATOM 23 HA1 GLY 2 9.246 -6.815 -13.351 1.00 37.46 ATOM 24 HA2 GLY 2 9.095 -6.486 -15.073 1.00 75.22 ATOM 25 C GLY 2 9.876 -8.408 -14.615 1.00 3.42 ATOM 26 O GLY 2 9.481 -9.351 -15.301 1.00 44.33 ATOM 27 N HIS 3 11.103 -8.347 -14.106 1.00 31.11 ATOM 28 HN HIS 3 11.349 -7.578 -13.539 1.00 37.46 ATOM 29 CA HIS 3 12.077 -9.410 -14.330 1.00 13.32 ATOM 30 HA HIS 3 12.238 -9.489 -15.400 1.00 51.41 ATOM 31 CB HIS 3 13.405 -9.063 -13.657 1.00 42.23 ATOM 32 HB1 HIS 3 14.069 -9.917 -13.704 1.00 37.46 ATOM 33 HB2 HIS 3 13.222 -8.814 -12.623 1.00 70.31 ATOM 34 CG HIS 3 14.112 -7.904 -14.290 1.00 63.12 ATOM 35 ND1 HIS 3 15.479 -7.861 -14.464 1.00 45.33 ATOM 36 HD1 HIS 3 16.112 -8.561 -14.199 1.00 5.25 ATOM 37 CD2 HIS 3 13.633 -6.742 -14.793 1.00 64.44 ATOM 38 HD2 HIS 3 12.601 -6.431 -14.830 1.00 23.31 ATOM 39 CE1 HIS 3 15.811 -6.722 -15.046 1.00 1.34 ATOM 40 HE1 HIS 3 16.813 -6.414 -15.307 1.00 65.31 ATOM 41 NE2 HIS 3 14.709 -6.025 -15.256 1.00 71.14 ATOM 42 HE2 HIS 3 14.660 -5.183 -15.756 1.00 37.46 ATOM 43 C HIS 3 11.557 -10.743 -13.800 1.00 5.12 ATOM 44 O HIS 3 11.224 -10.867 -12.621 1.00 10.52 ATOM 45 N HIS 4 11.491 -11.738 -14.678 1.00 70.25 ATOM 46 HN HIS 4 11.808 -11.589 -15.597 1.00 37.46 ATOM 47 CA HIS 4 11.012 -13.063 -14.299 1.00 10.53 ATOM 48 HA HIS 4 10.513 -12.998 -13.338 1.00 11.32 ATOM 49 CB HIS 4 10.001 -13.576 -15.324 1.00 52.32 ATOM 50 HB1 HIS 4 9.090 -13.001 -15.230 1.00 37.46 ATOM 51 HB2 HIS 4 9.778 -14.617 -15.130 1.00 53.34 ATOM 52 CG HIS 4 10.473 -13.460 -16.741 1.00 22.32 ATOM 53 ND1 HIS 4 11.295 -14.392 -17.338 1.00 71.45 ATOM 54 HD1 HIS 4 11.647 -15.202 -16.912 1.00 15.30 ATOM 55 CD2 HIS 4 10.233 -12.515 -17.680 1.00 21.41 ATOM 56 HD2 HIS 4 9.623 -11.631 -17.558 1.00 11.40 ATOM 57 CE1 HIS 4 11.541 -14.025 -18.583 1.00 64.13 ATOM 58 HE1 HIS 4 12.154 -14.563 -19.291 1.00 42.41 ATOM 59 NE2 HIS 4 10.908 -12.889 -18.816 1.00 23.43 ATOM 60 HE2 HIS 4 10.841 -12.449 -19.689 1.00 37.46 ATOM 61 C HIS 4 12.173 -14.045 -14.175 1.00 74.23 ATOM 62 O HIS 4 13.182 -13.920 -14.870 1.00 33.31 ATOM 63 N HIS 5 12.023 -15.022 -13.286 1.00 73.13 ATOM 64 HN HIS 5 11.199 -15.066 -12.745 1.00 37.46 ATOM 65 CA HIS 5 13.059 -16.026 -13.072 1.00 34.22 ATOM 66 HA HIS 5 13.686 -16.084 -13.954 1.00 4.23 ATOM 67 CB HIS 5 13.930 -15.643 -11.875 1.00 40.04 ATOM 68 HB1 HIS 5 14.697 -16.390 -11.731 1.00 37.46 ATOM 69 HB2 HIS 5 13.314 -15.593 -10.989 1.00 72.15 ATOM 70 CG HIS 5 14.610 -14.317 -12.030 1.00 31.44 ATOM 71 ND1 HIS 5 15.960 -14.188 -12.278 1.00 70.54 ATOM 72 HD1 HIS 5 16.597 -14.926 -12.376 1.00 31.32 ATOM 73 CD2 HIS 5 14.118 -13.058 -11.971 1.00 13.12 ATOM 74 HD2 HIS 5 13.089 -12.780 -11.791 1.00 11.52 ATOM 75 CE1 HIS 5 16.269 -12.907 -12.364 1.00 42.02 ATOM 76 HE1 HIS 5 17.254 -12.506 -12.553 1.00 74.21 ATOM 77 NE2 HIS 5 15.169 -12.200 -12.182 1.00 12.33 ATOM 78 HE2 HIS 5 15.107 -11.224 -12.237 1.00 37.46 ATOM 79 C HIS 5 12.442 -17.403 -12.847 1.00 20.52 ATOM 80 O HIS 5 11.220 -17.555 -12.847 1.00 70.50 ATOM 81 N HIS 6 13.295 -18.405 -12.656 1.00 4.43 ATOM 82 HN HIS 6 14.264 -18.239 -12.682 1.00 37.46 ATOM 83 CA HIS 6 12.834 -19.770 -12.430 1.00 1.23 ATOM 84 HA HIS 6 11.749 -19.788 -12.419 1.00 33.22 ATOM 85 CB HIS 6 13.329 -20.689 -13.547 1.00 33.34 ATOM 86 HB1 HIS 6 13.246 -21.725 -13.238 1.00 37.46 ATOM 87 HB2 HIS 6 14.364 -20.468 -13.758 1.00 15.24 ATOM 88 CG HIS 6 12.561 -20.546 -14.825 1.00 1.34 ATOM 89 ND1 HIS 6 11.774 -21.550 -15.347 1.00 33.24 ATOM 90 HD1 HIS 6 11.639 -22.436 -14.951 1.00 51.13 ATOM 91 CD2 HIS 6 12.462 -19.506 -15.686 1.00 32.12 ATOM 92 HD2 HIS 6 12.950 -18.546 -15.591 1.00 12.02 ATOM 93 CE1 HIS 6 11.225 -21.135 -16.474 1.00 72.43 ATOM 94 HE1 HIS 6 10.560 -21.709 -17.102 1.00 33.41 ATOM 95 NE2 HIS 6 11.626 -19.898 -16.702 1.00 50.24 ATOM 96 HE2 HIS 6 11.296 -19.321 -17.422 1.00 37.46 ATOM 97 C HIS 6 13.314 -20.289 -11.078 1.00 1.44 ATOM 98 O HIS 6 13.915 -21.360 -10.990 1.00 10.11 ATOM 99 N HIS 7 13.046 -19.522 -10.026 1.00 12.44 ATOM 100 HN HIS 7 12.573 -18.665 -10.159 1.00 37.46 ATOM 101 CA HIS 7 13.451 -19.904 -8.677 1.00 54.15 ATOM 102 HA HIS 7 13.438 -20.987 -8.609 1.00 74.50 ATOM 103 CB HIS 7 14.872 -19.418 -8.392 1.00 12.42 ATOM 104 HB1 HIS 7 15.169 -19.744 -7.404 1.00 37.46 ATOM 105 HB2 HIS 7 14.895 -18.338 -8.430 1.00 64.43 ATOM 106 CG HIS 7 15.887 -19.930 -9.366 1.00 43.44 ATOM 107 ND1 HIS 7 16.480 -19.134 -10.324 1.00 15.50 ATOM 108 HD1 HIS 7 16.305 -18.180 -10.464 1.00 22.35 ATOM 109 CD2 HIS 7 16.416 -21.165 -9.527 1.00 22.13 ATOM 110 HD2 HIS 7 16.180 -22.044 -8.944 1.00 55.21 ATOM 111 CE1 HIS 7 17.327 -19.858 -11.032 1.00 45.33 ATOM 112 HE1 HIS 7 17.934 -19.500 -11.851 1.00 31.30 ATOM 113 NE2 HIS 7 17.308 -21.094 -10.568 1.00 62.23 ATOM 114 HE2 HIS 7 17.773 -21.856 -10.972 1.00 37.46 ATOM 115 C HIS 7 12.488 -19.336 -7.639 1.00 54.03 ATOM 116 O HIS 7 12.300 -18.122 -7.550 1.00 24.14 ATOM 117 N HIS 8 11.878 -20.222 -6.857 1.00 43.53 ATOM 118 HN HIS 8 12.059 -21.183 -6.967 1.00 37.46 ATOM 119 CA HIS 8 10.934 -19.808 -5.825 1.00 61.13 ATOM 120 HA HIS 8 10.491 -20.700 -5.404 1.00 11.31 ATOM 121 CB HIS 8 11.657 -19.030 -4.725 1.00 72.30 ATOM 122 HB1 HIS 8 10.940 -18.463 -4.143 1.00 37.46 ATOM 123 HB2 HIS 8 12.367 -18.346 -5.158 1.00 24.01 ATOM 124 CG HIS 8 12.395 -19.905 -3.759 1.00 34.21 ATOM 125 ND1 HIS 8 13.727 -19.730 -3.452 1.00 24.44 ATOM 126 HD1 HIS 8 14.314 -19.038 -3.822 1.00 40.21 ATOM 127 CD2 HIS 8 11.978 -20.966 -3.029 1.00 13.25 ATOM 128 HD2 HIS 8 10.982 -21.386 -3.020 1.00 0.11 ATOM 129 CE1 HIS 8 14.099 -20.647 -2.575 1.00 51.45 ATOM 130 HE1 HIS 8 15.087 -20.754 -2.153 1.00 10.42 ATOM 131 NE2 HIS 8 13.055 -21.409 -2.302 1.00 4.32 ATOM 132 HE2 HIS 8 13.029 -22.106 -1.614 1.00 37.46 ATOM 133 C HIS 8 9.819 -18.953 -6.420 1.00 71.41 ATOM 134 O HIS 8 9.398 -17.962 -5.824 1.00 23.00 ATOM 135 N SER 9 9.345 -19.344 -7.599 1.00 21.21 ATOM 136 HN SER 9 9.707 -20.150 -8.034 1.00 37.46 ATOM 137 CA SER 9 8.282 -18.611 -8.277 1.00 21.35 ATOM 138 HA SER 9 7.898 -17.841 -7.619 1.00 34.01 ATOM 139 CB SER 9 8.822 -17.940 -9.541 1.00 2.03 ATOM 140 HB1 SER 9 8.959 -18.675 -10.324 1.00 37.46 ATOM 141 HB2 SER 9 9.773 -17.477 -9.319 1.00 63.32 ATOM 142 OG SER 9 7.935 -16.937 -10.004 1.00 71.25 ATOM 143 HG SER 9 8.367 -16.418 -10.687 1.00 74.22 ATOM 144 C SER 9 7.125 -19.539 -8.635 1.00 23.45 ATOM 145 O SER 9 7.214 -20.756 -8.465 1.00 5.24 ATOM 146 N HIS 10 6.039 -18.956 -9.131 1.00 70.24 ATOM 147 HN HIS 10 6.028 -17.975 -9.246 1.00 37.46 ATOM 148 CA HIS 10 4.863 -19.730 -9.515 1.00 3.14 ATOM 149 HA HIS 10 4.539 -20.299 -8.650 1.00 24.32 ATOM 150 CB HIS 10 3.730 -18.797 -9.941 1.00 74.02 ATOM 151 HB1 HIS 10 2.902 -19.383 -10.320 1.00 37.46 ATOM 152 HB2 HIS 10 4.087 -18.142 -10.722 1.00 53.41 ATOM 153 CG HIS 10 3.207 -17.941 -8.828 1.00 63.35 ATOM 154 ND1 HIS 10 1.994 -17.288 -8.887 1.00 21.51 ATOM 155 HD1 HIS 10 1.366 -17.313 -9.639 1.00 33.32 ATOM 156 CD2 HIS 10 3.740 -17.634 -7.623 1.00 23.43 ATOM 157 HD2 HIS 10 4.685 -17.978 -7.231 1.00 14.44 ATOM 158 CE1 HIS 10 1.804 -16.616 -7.766 1.00 43.41 ATOM 159 HE1 HIS 10 0.940 -16.012 -7.530 1.00 53.51 ATOM 160 NE2 HIS 10 2.849 -16.809 -6.982 1.00 22.23 ATOM 161 HE2 HIS 10 3.009 -16.350 -6.131 1.00 37.46 ATOM 162 C HIS 10 5.195 -20.697 -10.647 1.00 21.53 ATOM 163 O HIS 10 5.158 -20.330 -11.821 1.00 20.14 ATOM 164 N MET 11 5.520 -21.935 -10.285 1.00 53.53 ATOM 165 HN MET 11 5.535 -22.179 -9.331 1.00 37.46 ATOM 166 CA MET 11 5.858 -22.955 -11.271 1.00 55.52 ATOM 167 HA MET 11 5.778 -22.517 -12.259 1.00 74.04 ATOM 168 CB MET 11 7.290 -23.446 -11.058 1.00 25.04 ATOM 169 HB1 MET 11 7.370 -24.482 -11.350 1.00 37.46 ATOM 170 HB2 MET 11 7.522 -23.364 -10.005 1.00 61.34 ATOM 171 CG MET 11 8.328 -22.649 -11.831 1.00 40.15 ATOM 172 HG1 MET 11 8.169 -21.594 -11.650 1.00 37.46 ATOM 173 HG2 MET 11 8.207 -22.853 -12.884 1.00 54.21 ATOM 174 SD MET 11 10.018 -23.062 -11.356 1.00 15.11 ATOM 175 CE MET 11 9.980 -24.848 -11.490 1.00 42.42 ATOM 176 HE1 MET 11 9.584 -25.128 -12.455 1.00 13.51 ATOM 177 HE2 MET 11 9.354 -25.256 -10.710 1.00 11.02 ATOM 178 HE3 MET 11 10.982 -25.237 -11.386 1.00 21.24 ATOM 179 C MET 11 4.888 -24.129 -11.192 1.00 74.25 ATOM 180 O MET 11 4.200 -24.331 -10.191 1.00 72.25 ATOM 181 N PRO 12 4.829 -24.923 -12.272 1.00 62.10 ATOM 182 CA PRO 12 3.947 -26.091 -12.349 1.00 32.22 ATOM 183 HA PRO 12 2.922 -25.829 -12.127 1.00 5.23 ATOM 184 CB PRO 12 4.059 -26.525 -13.812 1.00 63.04 ATOM 185 HB1 PRO 12 3.266 -26.061 -14.379 1.00 37.46 ATOM 186 HB2 PRO 12 3.984 -27.601 -13.911 1.00 43.44 ATOM 187 CG PRO 12 5.390 -26.022 -14.256 1.00 15.44 ATOM 188 HG1 PRO 12 5.375 -25.832 -15.319 1.00 37.46 ATOM 189 HG2 PRO 12 6.155 -26.744 -14.013 1.00 74.34 ATOM 190 CD PRO 12 5.621 -24.742 -13.501 1.00 15.14 ATOM 191 HD1 PRO 12 5.260 -23.899 -14.072 1.00 37.46 ATOM 192 HD2 PRO 12 6.667 -24.633 -13.293 1.00 51.31 ATOM 193 C PRO 12 4.394 -27.218 -11.423 1.00 42.54 ATOM 194 O PRO 12 5.057 -28.161 -11.854 1.00 63.22 ATOM 195 N ASP 13 4.027 -27.112 -10.151 1.00 63.40 ATOM 196 HN ASP 13 3.512 -26.319 -9.869 1.00 37.46 ATOM 197 CA ASP 13 4.390 -28.124 -9.165 1.00 12.43 ATOM 198 HA ASP 13 5.471 -28.173 -9.120 1.00 62.24 ATOM 199 CB ASP 13 3.864 -27.730 -7.783 1.00 64.51 ATOM 200 HB1 ASP 13 4.359 -26.834 -7.461 1.00 37.46 ATOM 201 HB2 ASP 13 4.071 -28.520 -7.074 1.00 24.13 ATOM 202 CG ASP 13 2.372 -27.465 -7.785 1.00 52.24 ATOM 203 OD1 ASP 13 1.606 -28.378 -7.413 1.00 34.14 ATOM 204 OD2 ASP 13 1.970 -26.343 -8.159 1.00 72.31 ATOM 205 C ASP 13 3.841 -29.491 -9.561 1.00 42.32 ATOM 206 O ASP 13 2.674 -29.797 -9.317 1.00 74.34 ATOM 207 N HIS 14 4.691 -30.308 -10.175 1.00 32.53 ATOM 208 HN HIS 14 5.615 -30.003 -10.343 1.00 37.46 ATOM 209 CA HIS 14 4.291 -31.643 -10.606 1.00 32.33 ATOM 210 HA HIS 14 3.456 -31.529 -11.281 1.00 61.03 ATOM 211 CB HIS 14 5.443 -32.333 -11.337 1.00 2.14 ATOM 212 HB1 HIS 14 5.420 -33.399 -11.141 1.00 37.46 ATOM 213 HB2 HIS 14 6.386 -31.938 -10.987 1.00 64.15 ATOM 214 CG HIS 14 5.401 -32.156 -12.823 1.00 72.12 ATOM 215 ND1 HIS 14 4.987 -33.148 -13.688 1.00 11.45 ATOM 216 HD1 HIS 14 4.688 -34.045 -13.430 1.00 11.10 ATOM 217 CD2 HIS 14 5.722 -31.094 -13.598 1.00 1.30 ATOM 218 HD2 HIS 14 6.086 -30.136 -13.253 1.00 44.44 ATOM 219 CE1 HIS 14 5.057 -32.703 -14.930 1.00 30.33 ATOM 220 HE1 HIS 14 4.795 -33.261 -15.817 1.00 63.35 ATOM 221 NE2 HIS 14 5.500 -31.459 -14.903 1.00 31.32 ATOM 222 HE2 HIS 14 5.736 -30.926 -15.691 1.00 37.46 ATOM 223 C HIS 14 3.849 -32.489 -9.415 1.00 62.12 ATOM 224 O HIS 14 4.600 -32.670 -8.457 1.00 73.44 ATOM 225 N GLY 15 2.625 -33.004 -9.483 1.00 21.15 ATOM 226 HN GLY 15 2.067 -32.833 -10.279 1.00 37.46 ATOM 227 CA GLY 15 2.105 -33.823 -8.404 1.00 33.43 ATOM 228 HA1 GLY 15 2.259 -33.313 -7.466 1.00 37.46 ATOM 229 HA2 GLY 15 2.638 -34.761 -8.383 1.00 0.23 ATOM 230 C GLY 15 0.622 -34.101 -8.550 1.00 72.53 ATOM 231 O GLY 15 0.187 -35.250 -8.466 1.00 24.33 ATOM 232 N ASP 16 -0.157 -33.048 -8.769 1.00 51.21 ATOM 233 HN ASP 16 0.251 -32.151 -8.837 1.00 37.46 ATOM 234 CA ASP 16 -1.600 -33.184 -8.927 1.00 55.31 ATOM 235 HA ASP 16 -1.964 -33.881 -8.180 1.00 53.20 ATOM 236 CB ASP 16 -2.287 -31.833 -8.716 1.00 74.53 ATOM 237 HB1 ASP 16 -3.340 -31.922 -8.952 1.00 37.46 ATOM 238 HB2 ASP 16 -1.838 -31.102 -9.372 1.00 54.34 ATOM 239 CG ASP 16 -2.164 -31.338 -7.289 1.00 14.02 ATOM 240 OD1 ASP 16 -1.830 -30.149 -7.100 1.00 21.54 ATOM 241 OD2 ASP 16 -2.404 -32.138 -6.361 1.00 24.33 ATOM 242 C ASP 16 -1.947 -33.735 -10.307 1.00 4.42 ATOM 243 O ASP 16 -3.103 -34.052 -10.587 1.00 44.51 ATOM 244 N TRP 17 -0.938 -33.845 -11.164 1.00 53.40 ATOM 245 HN TRP 17 -0.043 -33.537 -10.926 1.00 37.46 ATOM 246 CA TRP 17 -1.137 -34.356 -12.515 1.00 64.24 ATOM 247 HA TRP 17 -2.101 -34.847 -12.575 1.00 42.23 ATOM 248 CB TRP 17 -1.113 -33.208 -13.526 1.00 30.30 ATOM 249 HB1 TRP 17 -2.028 -32.641 -13.424 1.00 37.46 ATOM 250 HB2 TRP 17 -1.060 -33.600 -14.534 1.00 74.01 ATOM 251 CG TRP 17 0.036 -32.266 -13.328 1.00 15.02 ATOM 252 CD1 TRP 17 1.331 -32.461 -13.712 1.00 25.20 ATOM 253 HD1 TRP 17 1.694 -33.337 -14.222 1.00 50.11 ATOM 254 CD2 TRP 17 -0.009 -30.982 -12.696 1.00 24.13 ATOM 255 NE1 TRP 17 2.096 -31.376 -13.357 1.00 13.03 ATOM 256 HE1 TRP 17 3.042 -31.274 -13.528 1.00 14.43 ATOM 257 CE2 TRP 17 1.297 -30.455 -12.733 1.00 0.53 ATOM 258 CE3 TRP 17 -1.024 -30.226 -12.104 1.00 41.01 ATOM 259 HE3 TRP 17 -2.038 -30.594 -12.055 1.00 72.12 ATOM 260 CZ2 TRP 17 1.611 -29.207 -12.199 1.00 71.34 ATOM 261 HZ2 TRP 17 2.605 -28.816 -12.237 1.00 41.15 ATOM 262 CZ3 TRP 17 -0.711 -28.988 -11.575 1.00 23.40 ATOM 263 HZ3 TRP 17 -1.483 -28.390 -11.113 1.00 54.02 ATOM 264 CH2 TRP 17 0.597 -28.489 -11.626 1.00 43.40 ATOM 265 HH2 TRP 17 0.796 -27.517 -11.199 1.00 62.40 ATOM 266 C TRP 17 -0.068 -35.384 -12.870 1.00 73.44 ATOM 267 O TRP 17 0.541 -35.318 -13.938 1.00 65.54 ATOM 268 N THR 18 0.155 -36.336 -11.969 1.00 13.43 ATOM 269 HN THR 18 -0.380 -36.349 -11.144 1.00 37.46 ATOM 270 CA THR 18 1.150 -37.377 -12.187 1.00 23.32 ATOM 271 HA THR 18 2.028 -36.925 -12.641 1.00 60.44 ATOM 272 CB THR 18 1.576 -38.035 -10.860 1.00 54.42 ATOM 273 HB THR 18 2.156 -38.926 -11.072 1.00 21.52 ATOM 274 OG1 THR 18 0.418 -38.403 -10.103 1.00 34.03 ATOM 275 HG1 THR 18 0.038 -37.642 -9.652 1.00 31.35 ATOM 276 CG2 THR 18 2.444 -37.090 -10.042 1.00 75.32 ATOM 277 HG21 THR 18 1.935 -36.148 -9.913 1.00 34.21 ATOM 278 HG22 THR 18 3.379 -36.926 -10.556 1.00 42.54 ATOM 279 HG23 THR 18 2.638 -37.528 -9.075 1.00 2.32 ATOM 280 C THR 18 0.622 -38.454 -13.128 1.00 4.00 ATOM 281 O THR 18 -0.588 -38.603 -13.300 1.00 24.01 ATOM 282 N TYR 19 1.537 -39.203 -13.735 1.00 14.34 ATOM 283 HN TYR 19 2.494 -39.036 -13.554 1.00 37.46 ATOM 284 CA TYR 19 1.163 -40.265 -14.660 1.00 74.42 ATOM 285 HA TYR 19 0.616 -39.814 -15.478 1.00 71.45 ATOM 286 CB TYR 19 2.413 -40.952 -15.213 1.00 75.21 ATOM 287 HB1 TYR 19 2.862 -41.566 -14.440 1.00 37.46 ATOM 288 HB2 TYR 19 3.126 -40.191 -15.505 1.00 73.34 ATOM 289 CG TYR 19 2.143 -41.816 -16.425 1.00 1.15 ATOM 290 CD1 TYR 19 1.847 -41.246 -17.657 1.00 3.44 ATOM 291 HD1 TYR 19 1.811 -40.169 -17.746 1.00 21.13 ATOM 292 CD2 TYR 19 2.183 -43.202 -16.337 1.00 42.11 ATOM 293 HD2 TYR 19 2.410 -43.665 -15.387 1.00 3.01 ATOM 294 CE1 TYR 19 1.600 -42.031 -18.766 1.00 52.42 ATOM 295 HE1 TYR 19 1.372 -41.568 -19.715 1.00 13.03 ATOM 296 CE2 TYR 19 1.938 -43.995 -17.442 1.00 4.34 ATOM 297 HE2 TYR 19 1.975 -45.071 -17.354 1.00 12.54 ATOM 298 CZ TYR 19 1.647 -43.404 -18.654 1.00 30.53 ATOM 299 OH TYR 19 1.401 -44.191 -19.756 1.00 1.21 ATOM 300 HH TYR 19 0.535 -44.603 -19.677 1.00 71.33 ATOM 301 C TYR 19 0.265 -41.292 -13.977 1.00 33.22 ATOM 302 O TYR 19 -0.773 -41.679 -14.513 1.00 62.42 ATOM 303 N GLU 20 0.673 -41.728 -12.789 1.00 14.11 ATOM 304 HN GLU 20 1.524 -41.396 -12.415 1.00 37.46 ATOM 305 CA GLU 20 -0.095 -42.710 -12.032 1.00 4.24 ATOM 306 HA GLU 20 -1.141 -42.477 -12.157 1.00 53.31 ATOM 307 CB GLU 20 0.184 -44.121 -12.554 1.00 54.34 ATOM 308 HB1 GLU 20 1.230 -44.354 -12.406 1.00 37.46 ATOM 309 HB2 GLU 20 -0.032 -44.147 -13.612 1.00 43.52 ATOM 310 CG GLU 20 -0.646 -45.197 -11.874 1.00 2.52 ATOM 311 HG1 GLU 20 -0.380 -45.255 -10.832 1.00 37.46 ATOM 312 HG2 GLU 20 -0.425 -46.143 -12.346 1.00 21.21 ATOM 313 CD GLU 20 -2.137 -44.946 -11.992 1.00 4.44 ATOM 314 OE1 GLU 20 -2.899 -45.515 -11.183 1.00 11.24 ATOM 315 OE2 GLU 20 -2.541 -44.181 -12.892 1.00 42.11 ATOM 316 C GLU 20 0.239 -42.632 -10.545 1.00 2.44 ATOM 317 O GLU 20 1.330 -42.209 -10.165 1.00 5.51 ATOM 318 N GLU 21 -0.709 -43.042 -9.709 1.00 34.23 ATOM 319 HN GLU 21 -1.578 -43.312 -10.071 1.00 37.46 ATOM 320 CA GLU 21 -0.516 -43.017 -8.264 1.00 34.25 ATOM 321 HA GLU 21 -0.361 -41.990 -7.964 1.00 4.15 ATOM 322 CB GLU 21 -1.759 -43.557 -7.551 1.00 44.33 ATOM 323 HB1 GLU 21 -2.568 -42.860 -7.712 1.00 37.46 ATOM 324 HB2 GLU 21 -1.561 -43.621 -6.487 1.00 43.23 ATOM 325 CG GLU 21 -2.211 -44.915 -8.061 1.00 41.32 ATOM 326 HG1 GLU 21 -1.350 -45.529 -8.290 1.00 37.46 ATOM 327 HG2 GLU 21 -2.790 -44.764 -8.954 1.00 25.32 ATOM 328 CD GLU 21 -3.072 -45.657 -7.058 1.00 21.40 ATOM 329 OE1 GLU 21 -2.511 -46.203 -6.085 1.00 23.13 ATOM 330 OE2 GLU 21 -4.306 -45.693 -7.246 1.00 22.22 ATOM 331 C GLU 21 0.708 -43.835 -7.864 1.00 20.51 ATOM 332 O GLU 21 1.245 -44.599 -8.666 1.00 31.11 ATOM 333 N GLN 22 1.143 -43.669 -6.619 1.00 43.22 ATOM 334 HN GLN 22 0.677 -43.047 -6.015 1.00 37.46 ATOM 335 CA GLN 22 2.305 -44.391 -6.114 1.00 11.34 ATOM 336 HA GLN 22 2.711 -43.829 -5.289 1.00 24.25 ATOM 337 CB GLN 22 1.893 -45.777 -5.615 1.00 11.23 ATOM 338 HB1 GLN 22 1.123 -45.654 -4.866 1.00 37.46 ATOM 339 HB2 GLN 22 2.750 -46.238 -5.150 1.00 71.51 ATOM 340 CG GLN 22 1.345 -46.679 -6.709 1.00 11.03 ATOM 341 HG1 GLN 22 1.848 -46.508 -7.641 1.00 37.46 ATOM 342 HG2 GLN 22 0.295 -46.468 -6.833 1.00 71.53 ATOM 343 CD GLN 22 1.494 -48.151 -6.380 1.00 62.42 ATOM 344 OE1 GLN 22 0.523 -48.908 -6.410 1.00 50.43 ATOM 345 NE2 GLN 22 2.715 -48.567 -6.064 1.00 42.21 ATOM 346 HE21 GLN 22 3.462 -47.929 -6.062 1.00 42.54 ATOM 347 HE22 GLN 22 2.825 -49.515 -5.840 1.00 24.15 ATOM 348 C GLN 22 3.375 -44.523 -7.192 1.00 5.23 ATOM 349 O GLN 22 3.934 -45.600 -7.397 1.00 64.34 ATOM 350 N PHE 23 3.656 -43.420 -7.878 1.00 3.00 ATOM 351 HN PHE 23 3.152 -42.597 -7.683 1.00 37.46 ATOM 352 CA PHE 23 4.659 -43.413 -8.937 1.00 3.25 ATOM 353 HA PHE 23 4.257 -43.959 -9.778 1.00 54.42 ATOM 354 CB PHE 23 4.961 -41.978 -9.373 1.00 14.40 ATOM 355 HB1 PHE 23 4.192 -41.664 -10.067 1.00 37.46 ATOM 356 HB2 PHE 23 5.919 -41.940 -9.878 1.00 11.14 ATOM 357 CG PHE 23 5.002 -41.001 -8.233 1.00 3.40 ATOM 358 CD1 PHE 23 5.875 -41.189 -7.174 1.00 3.34 ATOM 359 HD1 PHE 23 6.537 -42.021 -7.169 1.00 73.41 ATOM 360 CD2 PHE 23 4.168 -39.894 -8.220 1.00 61.45 ATOM 361 HD2 PHE 23 3.482 -39.732 -9.040 1.00 10.43 ATOM 362 CE1 PHE 23 5.917 -40.291 -6.123 1.00 75.31 ATOM 363 HE1 PHE 23 6.599 -40.453 -5.315 1.00 64.44 ATOM 364 CE2 PHE 23 4.205 -38.993 -7.173 1.00 61.50 ATOM 365 HE2 PHE 23 3.549 -38.136 -7.173 1.00 4.52 ATOM 366 CZ PHE 23 5.079 -39.193 -6.122 1.00 44.25 ATOM 367 HZ PHE 23 5.105 -38.491 -5.305 1.00 65.22 ATOM 368 C PHE 23 5.943 -44.096 -8.474 1.00 50.01 ATOM 369 O PHE 23 6.159 -44.293 -7.278 1.00 45.42 ATOM 370 N LYS 24 6.792 -44.456 -9.431 1.00 32.43 ATOM 371 HN LYS 24 6.567 -44.260 -10.372 1.00 37.46 ATOM 372 CA LYS 24 8.055 -45.117 -9.124 1.00 70.02 ATOM 373 HA LYS 24 7.850 -45.921 -8.425 1.00 30.12 ATOM 374 CB LYS 24 8.672 -45.699 -10.398 1.00 71.11 ATOM 375 HB1 LYS 24 9.418 -45.014 -10.784 1.00 37.46 ATOM 376 HB2 LYS 24 7.900 -45.803 -11.151 1.00 61.45 ATOM 377 CG LYS 24 9.345 -47.044 -10.188 1.00 71.51 ATOM 378 HG1 LYS 24 9.636 -47.153 -9.155 1.00 37.46 ATOM 379 HG2 LYS 24 10.231 -47.074 -10.809 1.00 44.45 ATOM 380 CD LYS 24 8.424 -48.193 -10.565 1.00 24.21 ATOM 381 HD1 LYS 24 7.739 -47.883 -11.345 1.00 37.46 ATOM 382 HD2 LYS 24 7.861 -48.484 -9.691 1.00 51.21 ATOM 383 CE LYS 24 9.210 -49.394 -11.070 1.00 54.10 ATOM 384 HE1 LYS 24 10.192 -49.409 -10.612 1.00 37.46 ATOM 385 HE2 LYS 24 9.318 -49.310 -12.140 1.00 0.43 ATOM 386 NZ LYS 24 8.523 -50.678 -10.757 1.00 13.52 ATOM 387 HZ1 LYS 24 7.583 -50.704 -11.205 1.00 44.34 ATOM 388 HZ2 LYS 24 8.408 -50.786 -9.728 1.00 70.31 ATOM 389 HZ3 LYS 24 9.085 -51.477 -11.114 1.00 5.13 ATOM 390 C LYS 24 9.033 -44.145 -8.471 1.00 72.43 ATOM 391 O LYS 24 10.060 -44.555 -7.931 1.00 40.32 ATOM 392 N GLN 25 8.705 -42.858 -8.524 1.00 22.41 ATOM 393 HN GLN 25 7.912 -42.571 -9.020 1.00 37.46 ATOM 394 CA GLN 25 9.555 -41.830 -7.936 1.00 42.44 ATOM 395 HA GLN 25 10.468 -41.809 -8.508 1.00 22.25 ATOM 396 CB GLN 25 8.860 -40.469 -7.995 1.00 55.54 ATOM 397 HB1 GLN 25 8.349 -40.288 -7.068 1.00 37.46 ATOM 398 HB2 GLN 25 8.140 -40.459 -8.800 1.00 53.33 ATOM 399 CG GLN 25 9.815 -39.306 -8.212 1.00 12.14 ATOM 400 HG1 GLN 25 10.465 -39.227 -7.352 1.00 37.46 ATOM 401 HG2 GLN 25 9.235 -38.399 -8.304 1.00 42.54 ATOM 402 CD GLN 25 10.655 -39.466 -9.463 1.00 24.31 ATOM 403 OE1 GLN 25 10.156 -39.338 -10.581 1.00 51.21 ATOM 404 NE2 GLN 25 11.940 -39.749 -9.281 1.00 42.42 ATOM 405 HE21 GLN 25 12.287 -39.842 -8.365 1.00 44.44 ATOM 406 HE22 GLN 25 12.499 -39.856 -10.079 1.00 64.43 ATOM 407 C GLN 25 9.906 -42.172 -6.492 1.00 71.53 ATOM 408 O GLN 25 11.042 -41.983 -6.057 1.00 23.35 ATOM 409 N LEU 26 8.923 -42.677 -5.754 1.00 65.21 ATOM 410 HN LEU 26 8.040 -42.816 -6.155 1.00 37.46 ATOM 411 CA LEU 26 9.128 -43.047 -4.358 1.00 11.42 ATOM 412 HA LEU 26 9.578 -42.207 -3.863 1.00 24.15 ATOM 413 CB LEU 26 7.789 -43.373 -3.695 1.00 33.42 ATOM 414 HB1 LEU 26 7.934 -44.196 -3.004 1.00 37.46 ATOM 415 HB2 LEU 26 7.098 -43.704 -4.460 1.00 22.34 ATOM 416 CG LEU 26 7.129 -42.234 -2.918 1.00 12.15 ATOM 417 HG LEU 26 6.933 -41.416 -3.586 1.00 22.42 ATOM 418 CD1 LEU 26 5.801 -42.687 -2.331 1.00 54.43 ATOM 419 HD11 LEU 26 5.975 -43.419 -1.554 1.00 25.40 ATOM 420 HD12 LEU 26 5.194 -43.132 -3.104 1.00 75.44 ATOM 421 HD13 LEU 26 5.283 -41.836 -1.913 1.00 23.05 ATOM 422 CD2 LEU 26 8.055 -41.731 -1.820 1.00 13.14 ATOM 423 HD21 LEU 26 7.483 -41.209 -1.063 1.00 34.54 ATOM 424 HD22 LEU 26 8.753 -41.041 -2.254 1.00 20.54 ATOM 425 HD23 LEU 26 8.588 -42.555 -1.363 1.00 4.22 ATOM 426 C LEU 26 10.070 -44.241 -4.243 1.00 10.33 ATOM 427 O LEU 26 10.811 -44.368 -3.268 1.00 32.34 ATOM 428 N TYR 27 10.038 -45.112 -5.245 1.00 53.42 ATOM 429 HN TYR 27 9.435 -44.962 -5.998 1.00 37.46 ATOM 430 CA TYR 27 10.888 -46.296 -5.257 1.00 5.34 ATOM 431 HA TYR 27 10.947 -46.689 -4.247 1.00 74.12 ATOM 432 CB TYR 27 10.292 -47.369 -6.169 1.00 3.01 ATOM 433 HB1 TYR 27 11.032 -48.142 -6.352 1.00 37.46 ATOM 434 HB2 TYR 27 10.024 -46.913 -7.107 1.00 43.02 ATOM 435 CG TYR 27 9.051 -48.023 -5.604 1.00 44.22 ATOM 436 CD1 TYR 27 9.041 -49.373 -5.278 1.00 31.23 ATOM 437 HD1 TYR 27 9.933 -49.956 -5.439 1.00 65.32 ATOM 438 CD2 TYR 27 7.890 -47.289 -5.396 1.00 74.52 ATOM 439 HD2 TYR 27 7.865 -46.244 -5.647 1.00 3.22 ATOM 440 CE1 TYR 27 7.909 -49.975 -4.762 1.00 41.43 ATOM 441 HE1 TYR 27 7.914 -51.022 -4.516 1.00 44.12 ATOM 442 CE2 TYR 27 6.754 -47.882 -4.880 1.00 34.32 ATOM 443 HE2 TYR 27 5.861 -47.294 -4.726 1.00 52.13 ATOM 444 CZ TYR 27 6.768 -49.225 -4.565 1.00 22.11 ATOM 445 OH TYR 27 5.639 -49.820 -4.050 1.00 62.24 ATOM 446 HH TYR 27 4.979 -49.922 -4.742 1.00 40.25 ATOM 447 C TYR 27 12.301 -45.948 -5.717 1.00 55.44 ATOM 448 O TYR 27 13.273 -46.576 -5.301 1.00 1.55 ATOM 449 N GLU 28 12.403 -44.941 -6.580 1.00 62.42 ATOM 450 HN GLU 28 11.595 -44.469 -6.886 1.00 37.46 ATOM 451 CA GLU 28 13.696 -44.509 -7.098 1.00 71.22 ATOM 452 HA GLU 28 14.404 -45.327 -7.013 1.00 51.11 ATOM 453 CB GLU 28 13.575 -44.122 -8.574 1.00 4.14 ATOM 454 HB1 GLU 28 14.472 -43.592 -8.879 1.00 37.46 ATOM 455 HB2 GLU 28 12.725 -43.467 -8.694 1.00 21.03 ATOM 456 CG GLU 28 13.393 -45.311 -9.502 1.00 54.30 ATOM 457 HG1 GLU 28 12.362 -45.629 -9.459 1.00 37.46 ATOM 458 HG2 GLU 28 14.033 -46.121 -9.176 1.00 1.11 ATOM 459 CD GLU 28 13.738 -44.985 -10.942 1.00 53.32 ATOM 460 OE1 GLU 28 13.812 -43.784 -11.278 1.00 21.40 ATOM 461 OE2 GLU 28 13.934 -45.931 -11.733 1.00 74.14 ATOM 462 C GLU 28 14.238 -43.331 -6.294 1.00 52.33 ATOM 463 O GLU 28 14.934 -42.467 -6.830 1.00 12.23 ATOM 464 N LEU 29 13.913 -43.302 -5.006 1.00 44.25 ATOM 465 HN LEU 29 13.391 -44.026 -4.612 1.00 37.46 ATOM 466 CA LEU 29 14.366 -42.230 -4.127 1.00 45.42 ATOM 467 HA LEU 29 14.272 -41.292 -4.656 1.00 52.34 ATOM 468 CB LEU 29 13.507 -42.182 -2.863 1.00 34.40 ATOM 469 HB1 LEU 29 14.016 -41.584 -2.114 1.00 37.46 ATOM 470 HB2 LEU 29 13.422 -43.189 -2.491 1.00 1.21 ATOM 471 CG LEU 29 12.092 -41.626 -3.033 1.00 65.15 ATOM 472 HG LEU 29 11.603 -42.186 -3.785 1.00 1.24 ATOM 473 CD1 LEU 29 11.309 -41.753 -1.736 1.00 41.51 ATOM 474 HD11 LEU 29 10.628 -40.931 -1.639 1.00 2.43 ATOM 475 HD12 LEU 29 11.982 -41.745 -0.887 1.00 43.44 ATOM 476 HD13 LEU 29 10.753 -42.672 -1.734 1.00 14.24 ATOM 477 CD2 LEU 29 12.142 -40.175 -3.490 1.00 34.22 ATOM 478 HD21 LEU 29 12.444 -40.140 -4.526 1.00 73.44 ATOM 479 HD22 LEU 29 12.858 -39.626 -2.896 1.00 71.24 ATOM 480 HD23 LEU 29 11.165 -39.717 -3.392 1.00 71.42 ATOM 481 C LEU 29 15.833 -42.416 -3.752 1.00 20.33 ATOM 482 O LEU 29 16.645 -41.503 -3.906 1.00 34.45 ATOM 483 N ASP 30 16.166 -43.605 -3.261 1.00 11.01 ATOM 484 HN ASP 30 15.487 -44.288 -3.174 1.00 37.46 ATOM 485 CA ASP 30 17.536 -43.913 -2.867 1.00 34.14 ATOM 486 HA ASP 30 18.154 -43.035 -3.024 1.00 30.33 ATOM 487 CB ASP 30 17.588 -44.300 -1.388 1.00 5.22 ATOM 488 HB1 ASP 30 17.458 -45.368 -1.268 1.00 37.46 ATOM 489 HB2 ASP 30 16.793 -43.786 -0.871 1.00 12.44 ATOM 490 CG ASP 30 18.890 -43.889 -0.728 1.00 64.52 ATOM 491 OD1 ASP 30 19.730 -44.777 -0.470 1.00 34.13 ATOM 492 OD2 ASP 30 19.070 -42.681 -0.470 1.00 13.34 ATOM 493 C ASP 30 18.106 -45.041 -3.721 1.00 4.22 ATOM 494 O ASP 30 19.282 -45.025 -4.082 1.00 62.42 ATOM 495 N GLY 31 17.265 -46.020 -4.039 1.00 54.43 ATOM 496 HN GLY 31 16.344 -46.003 -3.733 1.00 37.46 ATOM 497 CA GLY 31 17.704 -47.142 -4.847 1.00 72.22 ATOM 498 HA1 GLY 31 18.476 -46.826 -5.538 1.00 37.46 ATOM 499 HA2 GLY 31 16.860 -47.501 -5.418 1.00 43.30 ATOM 500 C GLY 31 18.235 -48.287 -4.008 1.00 63.54 ATOM 501 O GLY 31 19.363 -48.740 -4.207 1.00 31.11 ATOM 502 N ASP 32 17.423 -48.756 -3.068 1.00 31.23 ATOM 503 HN ASP 32 16.529 -48.368 -2.957 1.00 37.46 ATOM 504 CA ASP 32 17.818 -49.856 -2.195 1.00 11.43 ATOM 505 HA ASP 32 18.820 -50.163 -2.469 1.00 21.45 ATOM 506 CB ASP 32 17.819 -49.400 -0.734 1.00 72.45 ATOM 507 HB1 ASP 32 17.618 -50.243 -0.083 1.00 37.46 ATOM 508 HB2 ASP 32 17.050 -48.655 -0.588 1.00 32.45 ATOM 509 CG ASP 32 19.146 -48.798 -0.317 1.00 30.55 ATOM 510 OD1 ASP 32 19.570 -49.037 0.834 1.00 41.01 ATOM 511 OD2 ASP 32 19.761 -48.090 -1.140 1.00 40.41 ATOM 512 C ASP 32 16.884 -51.049 -2.368 1.00 20.33 ATOM 513 O ASP 32 15.730 -50.912 -2.773 1.00 15.01 ATOM 514 N PRO 33 17.394 -52.250 -2.055 1.00 13.00 ATOM 515 CA PRO 33 16.622 -53.491 -2.168 1.00 63.34 ATOM 516 HA PRO 33 16.204 -53.608 -3.154 1.00 51.11 ATOM 517 CB PRO 33 17.669 -54.582 -1.931 1.00 22.50 ATOM 518 HB1 PRO 33 18.063 -54.910 -2.881 1.00 37.46 ATOM 519 HB2 PRO 33 17.235 -55.428 -1.411 1.00 54.21 ATOM 520 CG PRO 33 18.726 -53.922 -1.115 1.00 23.10 ATOM 521 HG1 PRO 33 19.679 -54.396 -1.296 1.00 37.46 ATOM 522 HG2 PRO 33 18.470 -53.979 -0.067 1.00 4.32 ATOM 523 CD PRO 33 18.762 -52.488 -1.566 1.00 21.01 ATOM 524 HD1 PRO 33 19.484 -52.360 -2.359 1.00 37.46 ATOM 525 HD2 PRO 33 18.998 -51.846 -0.733 1.00 33.11 ATOM 526 C PRO 33 15.513 -53.582 -1.126 1.00 52.32 ATOM 527 O PRO 33 14.617 -54.420 -1.229 1.00 55.52 ATOM 528 N LYS 34 15.578 -52.714 -0.122 1.00 43.34 ATOM 529 HN LYS 34 16.328 -52.087 -0.053 1.00 37.46 ATOM 530 CA LYS 34 14.579 -52.694 0.939 1.00 55.53 ATOM 531 HA LYS 34 14.037 -53.632 0.937 1.00 14.31 ATOM 532 CB LYS 34 15.255 -52.536 2.302 1.00 2.22 ATOM 533 HB1 LYS 34 14.496 -52.512 3.073 1.00 37.46 ATOM 534 HB2 LYS 34 15.784 -51.590 2.311 1.00 72.55 ATOM 535 CG LYS 34 16.262 -53.630 2.612 1.00 43.13 ATOM 536 HG1 LYS 34 17.182 -53.166 2.941 1.00 37.46 ATOM 537 HG2 LYS 34 16.463 -54.212 1.720 1.00 40.22 ATOM 538 CD LYS 34 15.750 -54.571 3.689 1.00 72.11 ATOM 539 HD1 LYS 34 15.937 -55.586 3.370 1.00 37.46 ATOM 540 HD2 LYS 34 14.687 -54.440 3.841 1.00 21.24 ATOM 541 CE LYS 34 16.466 -54.347 5.012 1.00 41.22 ATOM 542 HE1 LYS 34 16.377 -53.305 5.290 1.00 37.46 ATOM 543 HE2 LYS 34 17.509 -54.598 4.890 1.00 73.45 ATOM 544 NZ LYS 34 15.893 -55.184 6.102 1.00 52.11 ATOM 545 HZ1 LYS 34 15.977 -56.195 5.865 1.00 31.03 ATOM 546 HZ2 LYS 34 14.888 -54.954 6.245 1.00 14.44 ATOM 547 HZ3 LYS 34 16.404 -55.007 6.991 1.00 50.45 ATOM 548 C LYS 34 13.578 -51.563 0.722 1.00 11.22 ATOM 549 O LYS 34 12.557 -51.486 1.405 1.00 14.13 ATOM 550 N ARG 35 13.877 -50.689 -0.233 1.00 4.51 ATOM 551 HN ARG 35 14.704 -50.790 -0.747 1.00 37.46 ATOM 552 CA ARG 35 13.004 -49.562 -0.539 1.00 74.42 ATOM 553 HA ARG 35 12.907 -48.969 0.362 1.00 61.20 ATOM 554 CB ARG 35 13.611 -48.705 -1.651 1.00 65.41 ATOM 555 HB1 ARG 35 13.308 -49.068 -2.622 1.00 37.46 ATOM 556 HB2 ARG 35 14.687 -48.792 -1.588 1.00 72.32 ATOM 557 CG ARG 35 13.231 -47.236 -1.565 1.00 20.41 ATOM 558 HG1 ARG 35 12.922 -46.995 -0.555 1.00 37.46 ATOM 559 HG2 ARG 35 12.407 -47.056 -2.241 1.00 13.33 ATOM 560 CD ARG 35 14.390 -46.336 -1.964 1.00 71.52 ATOM 561 HD1 ARG 35 14.152 -45.888 -2.916 1.00 37.46 ATOM 562 HD2 ARG 35 15.300 -46.908 -2.062 1.00 74.31 ATOM 563 NE ARG 35 14.615 -45.270 -0.992 1.00 24.53 ATOM 564 HE ARG 35 14.426 -44.356 -1.273 1.00 4.22 ATOM 565 CZ ARG 35 15.061 -45.483 0.241 1.00 3.14 ATOM 566 NH1 ARG 35 15.328 -46.716 0.650 1.00 4.42 ATOM 567 HH11 ARG 35 15.220 -47.500 0.062 1.00 73.41 ATOM 568 HH12 ARG 35 15.651 -46.862 1.588 1.00 42.31 ATOM 569 NH2 ARG 35 15.241 -44.461 1.068 1.00 3.04 ATOM 570 HH21 ARG 35 15.040 -43.527 0.766 1.00 62.33 ATOM 571 HH22 ARG 35 15.584 -44.618 1.996 1.00 13.21 ATOM 572 C ARG 35 11.618 -50.047 -0.956 1.00 11.14 ATOM 573 O ARG 35 10.628 -49.798 -0.267 1.00 41.33 ATOM 574 N LYS 36 11.555 -50.740 -2.087 1.00 72.43 ATOM 575 HN LYS 36 12.367 -50.871 -2.602 1.00 37.46 ATOM 576 CA LYS 36 10.292 -51.261 -2.597 1.00 33.24 ATOM 577 HA LYS 36 9.650 -50.423 -2.803 1.00 25.22 ATOM 578 CB LYS 36 10.525 -52.048 -3.888 1.00 55.14 ATOM 579 HB1 LYS 36 11.202 -51.506 -4.524 1.00 37.46 ATOM 580 HB2 LYS 36 9.582 -52.140 -4.399 1.00 13.44 ATOM 581 CG LYS 36 11.048 -53.455 -3.658 1.00 4.23 ATOM 582 HG1 LYS 36 11.017 -53.988 -4.596 1.00 37.46 ATOM 583 HG2 LYS 36 10.426 -53.977 -2.949 1.00 2.03 ATOM 584 CD LYS 36 12.480 -53.440 -3.148 1.00 70.24 ATOM 585 HD1 LYS 36 12.802 -54.462 -3.015 1.00 37.46 ATOM 586 HD2 LYS 36 12.536 -52.935 -2.209 1.00 5.13 ATOM 587 CE LYS 36 13.418 -52.770 -4.141 1.00 13.44 ATOM 588 HE1 LYS 36 14.428 -52.927 -3.813 1.00 37.46 ATOM 589 HE2 LYS 36 13.223 -51.714 -4.175 1.00 44.01 ATOM 590 NZ LYS 36 13.270 -53.333 -5.511 1.00 64.21 ATOM 591 HZ1 LYS 36 13.239 -54.375 -5.483 1.00 40.54 ATOM 592 HZ2 LYS 36 14.079 -53.045 -6.097 1.00 62.04 ATOM 593 HZ3 LYS 36 12.400 -52.979 -5.957 1.00 4.22 ATOM 594 C LYS 36 9.614 -52.153 -1.561 1.00 53.21 ATOM 595 O LYS 36 8.395 -52.324 -1.579 1.00 44.05 ATOM 596 N GLU 37 10.411 -52.717 -0.659 1.00 42.42 ATOM 597 HN GLU 37 11.376 -52.576 -0.693 1.00 37.46 ATOM 598 CA GLU 37 9.886 -53.590 0.384 1.00 2.30 ATOM 599 HA GLU 37 9.208 -54.301 -0.075 1.00 55.14 ATOM 600 CB GLU 37 11.025 -54.355 1.060 1.00 25.24 ATOM 601 HB1 GLU 37 10.658 -54.783 1.987 1.00 37.46 ATOM 602 HB2 GLU 37 11.822 -53.672 1.287 1.00 3.03 ATOM 603 CG GLU 37 11.596 -55.476 0.208 1.00 70.12 ATOM 604 HG1 GLU 37 12.392 -55.075 -0.400 1.00 37.46 ATOM 605 HG2 GLU 37 10.820 -55.872 -0.436 1.00 12.21 ATOM 606 CD GLU 37 12.152 -56.616 1.039 1.00 42.02 ATOM 607 OE1 GLU 37 11.765 -57.777 0.787 1.00 4.51 ATOM 608 OE2 GLU 37 12.973 -56.348 1.940 1.00 5.04 ATOM 609 C GLU 37 9.109 -52.788 1.425 1.00 64.25 ATOM 610 O GLU 37 7.968 -53.115 1.751 1.00 24.45 ATOM 611 N PHE 38 9.736 -51.737 1.942 1.00 42.33 ATOM 612 HN PHE 38 10.651 -51.523 1.637 1.00 37.46 ATOM 613 CA PHE 38 9.106 -50.889 2.946 1.00 15.43 ATOM 614 HA PHE 38 8.793 -51.516 3.770 1.00 23.34 ATOM 615 CB PHE 38 10.103 -49.853 3.470 1.00 63.33 ATOM 616 HB1 PHE 38 10.511 -49.308 2.629 1.00 37.46 ATOM 617 HB2 PHE 38 10.911 -50.369 3.973 1.00 71.32 ATOM 618 CG PHE 38 9.497 -48.866 4.426 1.00 71.33 ATOM 619 CD1 PHE 38 8.894 -47.709 3.958 1.00 25.44 ATOM 620 HD1 PHE 38 8.864 -47.519 2.900 1.00 1.23 ATOM 621 CD2 PHE 38 9.530 -49.095 5.792 1.00 71.11 ATOM 622 HD2 PHE 38 9.996 -49.994 6.172 1.00 63.30 ATOM 623 CE1 PHE 38 8.335 -46.799 4.835 1.00 22.24 ATOM 624 HE1 PHE 38 7.868 -45.901 4.458 1.00 63.25 ATOM 625 CE2 PHE 38 8.972 -48.189 6.674 1.00 50.24 ATOM 626 HE2 PHE 38 9.003 -48.381 7.735 1.00 34.42 ATOM 627 CZ PHE 38 8.375 -47.039 6.195 1.00 50.10 ATOM 628 HZ PHE 38 7.933 -46.335 6.876 1.00 61.52 ATOM 629 C PHE 38 7.879 -50.185 2.372 1.00 45.21 ATOM 630 O PHE 38 6.847 -50.072 3.034 1.00 10.01 ATOM 631 N LEU 39 8.001 -49.713 1.136 1.00 11.52 ATOM 632 HN LEU 39 8.855 -49.824 0.655 1.00 37.46 ATOM 633 CA LEU 39 6.903 -49.019 0.471 1.00 4.31 ATOM 634 HA LEU 39 6.557 -48.228 1.119 1.00 33.31 ATOM 635 CB LEU 39 7.382 -48.417 -0.851 1.00 55.24 ATOM 636 HB1 LEU 39 6.545 -47.960 -1.340 1.00 37.46 ATOM 637 HB2 LEU 39 7.740 -49.224 -1.476 1.00 54.23 ATOM 638 CG LEU 39 8.495 -47.373 -0.750 1.00 74.24 ATOM 639 HG LEU 39 9.396 -47.845 -0.404 1.00 21.32 ATOM 640 CD1 LEU 39 8.781 -46.765 -2.114 1.00 44.14 ATOM 641 HD11 LEU 39 9.563 -46.027 -2.023 1.00 64.21 ATOM 642 HD12 LEU 39 7.887 -46.297 -2.500 1.00 31.53 ATOM 643 HD13 LEU 39 9.102 -47.541 -2.795 1.00 61.44 ATOM 644 CD2 LEU 39 8.121 -46.290 0.251 1.00 53.12 ATOM 645 HD21 LEU 39 8.023 -46.712 1.233 1.00 72.30 ATOM 646 HD22 LEU 39 7.185 -45.833 -0.038 1.00 44.12 ATOM 647 HD23 LEU 39 8.894 -45.532 0.270 1.00 61.55 ATOM 648 C LEU 39 5.734 -49.965 0.219 1.00 61.11 ATOM 649 O LEU 39 4.615 -49.719 0.670 1.00 62.22 ATOM 650 N ASP 40 6.001 -51.048 -0.502 1.00 64.31 ATOM 651 HN ASP 40 6.918 -51.188 -0.840 1.00 37.46 ATOM 652 CA ASP 40 4.972 -52.034 -0.811 1.00 42.05 ATOM 653 HA ASP 40 4.246 -51.556 -1.455 1.00 4.14 ATOM 654 CB ASP 40 5.585 -53.231 -1.540 1.00 51.14 ATOM 655 HB1 ASP 40 6.181 -53.817 -0.853 1.00 37.46 ATOM 656 HB2 ASP 40 6.215 -52.867 -2.336 1.00 74.15 ATOM 657 CG ASP 40 4.534 -54.130 -2.162 1.00 24.12 ATOM 658 OD1 ASP 40 4.791 -55.346 -2.284 1.00 4.24 ATOM 659 OD2 ASP 40 3.455 -53.618 -2.527 1.00 44.22 ATOM 660 C ASP 40 4.269 -52.502 0.459 1.00 55.14 ATOM 661 O ASP 40 3.040 -52.493 0.539 1.00 40.13 ATOM 662 N ASP 41 5.055 -52.911 1.448 1.00 51.10 ATOM 663 HN ASP 41 6.035 -52.895 1.324 1.00 37.46 ATOM 664 CA ASP 41 4.508 -53.383 2.715 1.00 54.34 ATOM 665 HA ASP 41 3.824 -54.197 2.504 1.00 35.34 ATOM 666 CB ASP 41 5.630 -53.888 3.623 1.00 14.30 ATOM 667 HB1 ASP 41 5.286 -53.900 4.651 1.00 37.46 ATOM 668 HB2 ASP 41 6.478 -53.229 3.552 1.00 3.24 ATOM 669 CG ASP 41 6.069 -55.295 3.272 1.00 63.51 ATOM 670 OD1 ASP 41 7.268 -55.486 2.979 1.00 71.45 ATOM 671 OD2 ASP 41 5.215 -56.206 3.290 1.00 73.23 ATOM 672 C ASP 41 3.728 -52.275 3.416 1.00 2.31 ATOM 673 O ASP 41 2.686 -52.523 4.024 1.00 60.10 ATOM 674 N LEU 42 4.240 -51.052 3.329 1.00 41.01 ATOM 675 HN LEU 42 5.086 -50.912 2.842 1.00 37.46 ATOM 676 CA LEU 42 3.593 -49.905 3.956 1.00 12.02 ATOM 677 HA LEU 42 3.516 -50.100 5.017 1.00 5.55 ATOM 678 CB LEU 42 4.432 -48.643 3.747 1.00 22.31 ATOM 679 HB1 LEU 42 4.618 -48.546 2.691 1.00 37.46 ATOM 680 HB2 LEU 42 5.380 -48.789 4.243 1.00 30.13 ATOM 681 CG LEU 42 3.821 -47.338 4.257 1.00 34.14 ATOM 682 HG LEU 42 2.766 -47.335 4.088 1.00 1.24 ATOM 683 CD1 LEU 42 4.044 -47.194 5.755 1.00 54.42 ATOM 684 HD11 LEU 42 3.709 -48.089 6.262 1.00 20.14 ATOM 685 HD12 LEU 42 3.477 -46.355 6.119 1.00 5.24 ATOM 686 HD13 LEU 42 5.095 -47.039 5.960 1.00 65.31 ATOM 687 CD2 LEU 42 4.406 -46.148 3.512 1.00 51.41 ATOM 688 HD21 LEU 42 4.214 -46.253 2.453 1.00 72.14 ATOM 689 HD22 LEU 42 5.473 -46.100 3.679 1.00 32.11 ATOM 690 HD23 LEU 42 3.946 -45.236 3.867 1.00 32.43 ATOM 691 C LEU 42 2.191 -49.696 3.393 1.00 13.22 ATOM 692 O LEU 42 1.224 -49.552 4.143 1.00 64.44 ATOM 693 N PHE 43 2.087 -49.681 2.068 1.00 33.44 ATOM 694 HN PHE 43 2.897 -49.829 1.526 1.00 37.46 ATOM 695 CA PHE 43 0.802 -49.491 1.404 1.00 24.24 ATOM 696 HA PHE 43 0.370 -48.572 1.753 1.00 65.30 ATOM 697 CB PHE 43 0.997 -49.393 -0.110 1.00 51.11 ATOM 698 HB1 PHE 43 0.082 -49.032 -0.557 1.00 37.46 ATOM 699 HB2 PHE 43 1.218 -50.378 -0.507 1.00 62.24 ATOM 700 CG PHE 43 2.105 -48.462 -0.513 1.00 15.21 ATOM 701 CD1 PHE 43 2.273 -47.246 0.129 1.00 3.24 ATOM 702 HD1 PHE 43 1.617 -46.973 0.933 1.00 54.12 ATOM 703 CD2 PHE 43 2.977 -48.802 -1.534 1.00 75.35 ATOM 704 HD2 PHE 43 2.859 -49.748 -2.045 1.00 24.52 ATOM 705 CE1 PHE 43 3.292 -46.387 -0.239 1.00 12.24 ATOM 706 HE1 PHE 43 3.412 -45.442 0.269 1.00 5.31 ATOM 707 CE2 PHE 43 3.997 -47.948 -1.906 1.00 51.35 ATOM 708 HE2 PHE 43 4.666 -48.218 -2.700 1.00 33.45 ATOM 709 CZ PHE 43 4.154 -46.738 -1.259 1.00 0.13 ATOM 710 HZ PHE 43 4.951 -46.069 -1.549 1.00 53.33 ATOM 711 C PHE 43 -0.154 -50.634 1.733 1.00 60.05 ATOM 712 O PHE 43 -1.297 -50.407 2.129 1.00 51.24 ATOM 713 N SER 44 0.322 -51.863 1.564 1.00 65.41 ATOM 714 HN SER 44 1.249 -51.982 1.245 1.00 37.46 ATOM 715 CA SER 44 -0.491 -53.043 1.837 1.00 4.55 ATOM 716 HA SER 44 -1.382 -52.988 1.226 1.00 40.43 ATOM 717 CB SER 44 0.278 -54.314 1.473 1.00 42.02 ATOM 718 HB1 SER 44 -0.265 -55.185 1.811 1.00 37.46 ATOM 719 HB2 SER 44 1.248 -54.292 1.945 1.00 53.04 ATOM 720 OG SER 44 0.460 -54.416 0.071 1.00 12.31 ATOM 721 HG SER 44 -0.343 -54.752 -0.336 1.00 33.23 ATOM 722 C SER 44 -0.905 -53.088 3.305 1.00 24.32 ATOM 723 O SER 44 -1.950 -53.639 3.650 1.00 14.13 ATOM 724 N PHE 45 -0.076 -52.506 4.166 1.00 52.45 ATOM 725 HN PHE 45 0.761 -52.099 3.844 1.00 37.46 ATOM 726 CA PHE 45 -0.354 -52.480 5.597 1.00 53.02 ATOM 727 HA PHE 45 -0.653 -53.474 5.906 1.00 22.32 ATOM 728 CB PHE 45 0.903 -52.085 6.375 1.00 34.30 ATOM 729 HB1 PHE 45 1.359 -51.230 5.898 1.00 37.46 ATOM 730 HB2 PHE 45 1.603 -52.911 6.348 1.00 62.42 ATOM 731 CG PHE 45 0.635 -51.745 7.813 1.00 30.23 ATOM 732 CD1 PHE 45 0.442 -52.746 8.751 1.00 35.34 ATOM 733 HD1 PHE 45 0.486 -53.782 8.443 1.00 1.55 ATOM 734 CD2 PHE 45 0.576 -50.424 8.227 1.00 23.11 ATOM 735 HD2 PHE 45 0.725 -49.631 7.507 1.00 61.03 ATOM 736 CE1 PHE 45 0.195 -52.437 10.076 1.00 44.22 ATOM 737 HE1 PHE 45 0.046 -53.227 10.797 1.00 32.14 ATOM 738 CE2 PHE 45 0.331 -50.109 9.550 1.00 0.51 ATOM 739 HE2 PHE 45 0.280 -49.090 9.838 1.00 62.00 ATOM 740 CZ PHE 45 0.139 -51.116 10.475 1.00 1.04 ATOM 741 HZ PHE 45 -0.054 -50.871 11.509 1.00 54.14 ATOM 742 C PHE 45 -1.488 -51.509 5.913 1.00 1.13 ATOM 743 O PHE 45 -2.516 -51.898 6.467 1.00 40.23 ATOM 744 N MET 46 -1.291 -50.243 5.558 1.00 34.42 ATOM 745 HN MET 46 -0.428 -49.996 5.153 1.00 37.46 ATOM 746 CA MET 46 -2.297 -49.216 5.804 1.00 71.34 ATOM 747 HA MET 46 -2.519 -49.207 6.863 1.00 70.22 ATOM 748 CB MET 46 -1.761 -47.841 5.403 1.00 45.21 ATOM 749 HB1 MET 46 -0.945 -47.603 6.071 1.00 37.46 ATOM 750 HB2 MET 46 -2.525 -47.106 5.528 1.00 13.01 ATOM 751 CG MET 46 -1.254 -47.780 3.971 1.00 51.40 ATOM 752 HG1 MET 46 -2.063 -47.496 3.325 1.00 37.46 ATOM 753 HG2 MET 46 -0.888 -48.732 3.664 1.00 23.41 ATOM 754 SD MET 46 0.083 -46.589 3.757 1.00 14.53 ATOM 755 CE MET 46 -0.763 -45.058 4.144 1.00 1.41 ATOM 756 HE1 MET 46 -1.821 -45.224 4.236 1.00 64.21 ATOM 757 HE2 MET 46 -0.585 -44.353 3.361 1.00 30.24 ATOM 758 HE3 MET 46 -0.383 -44.670 5.065 1.00 15.32 ATOM 759 C MET 46 -3.580 -49.518 5.036 1.00 15.42 ATOM 760 O MET 46 -4.677 -49.433 5.587 1.00 35.24 ATOM 761 N GLN 47 -3.435 -49.869 3.763 1.00 44.45 ATOM 762 HN GLN 47 -2.538 -49.962 3.383 1.00 37.46 ATOM 763 CA GLN 47 -4.583 -50.181 2.920 1.00 31.14 ATOM 764 HA GLN 47 -5.149 -49.276 2.779 1.00 52.24 ATOM 765 CB GLN 47 -4.118 -50.695 1.557 1.00 63.11 ATOM 766 HB1 GLN 47 -3.375 -51.462 1.717 1.00 37.46 ATOM 767 HB2 GLN 47 -3.664 -49.877 1.019 1.00 14.42 ATOM 768 CG GLN 47 -5.234 -51.302 0.722 1.00 1.30 ATOM 769 HG1 GLN 47 -6.174 -50.820 0.966 1.00 37.46 ATOM 770 HG2 GLN 47 -5.304 -52.354 0.950 1.00 64.15 ATOM 771 CD GLN 47 -4.998 -51.149 -0.768 1.00 4.34 ATOM 772 OE1 GLN 47 -3.894 -50.817 -1.202 1.00 71.30 ATOM 773 NE2 GLN 47 -6.036 -51.390 -1.560 1.00 24.02 ATOM 774 HE21 GLN 47 -6.895 -51.652 -1.158 1.00 41.43 ATOM 775 HE22 GLN 47 -5.903 -51.296 -2.526 1.00 14.15 ATOM 776 C GLN 47 -5.482 -51.217 3.588 1.00 63.01 ATOM 777 O GLN 47 -6.699 -51.210 3.404 1.00 50.15 ATOM 778 N LYS 48 -4.874 -52.108 4.364 1.00 1.21 ATOM 779 HN LYS 48 -3.893 -52.096 4.451 1.00 37.46 ATOM 780 CA LYS 48 -5.618 -53.151 5.061 1.00 40.54 ATOM 781 HA LYS 48 -6.367 -53.550 4.384 1.00 50.24 ATOM 782 CB LYS 48 -4.677 -54.280 5.485 1.00 60.30 ATOM 783 HB1 LYS 48 -5.144 -54.863 6.271 1.00 37.46 ATOM 784 HB2 LYS 48 -3.768 -53.847 5.872 1.00 45.05 ATOM 785 CG LYS 48 -4.323 -55.233 4.356 1.00 21.24 ATOM 786 HG1 LYS 48 -4.118 -54.661 3.459 1.00 37.46 ATOM 787 HG2 LYS 48 -5.166 -55.886 4.179 1.00 75.33 ATOM 788 CD LYS 48 -3.113 -56.084 4.704 1.00 61.11 ATOM 789 HD1 LYS 48 -3.431 -56.884 5.357 1.00 37.46 ATOM 790 HD2 LYS 48 -2.372 -55.479 5.211 1.00 61.55 ATOM 791 CE LYS 48 -2.478 -56.684 3.459 1.00 24.42 ATOM 792 HE1 LYS 48 -1.768 -55.982 3.061 1.00 37.46 ATOM 793 HE2 LYS 48 -3.242 -56.882 2.717 1.00 54.13 ATOM 794 NZ LYS 48 -1.772 -57.962 3.757 1.00 15.33 ATOM 795 HZ1 LYS 48 -1.014 -57.803 4.453 1.00 24.43 ATOM 796 HZ2 LYS 48 -1.350 -58.345 2.887 1.00 24.02 ATOM 797 HZ3 LYS 48 -2.440 -58.664 4.140 1.00 50.23 ATOM 798 C LYS 48 -6.333 -52.584 6.283 1.00 33.30 ATOM 799 O LYS 48 -7.415 -53.045 6.649 1.00 2.54 ATOM 800 N ARG 49 -5.723 -51.583 6.909 1.00 74.11 ATOM 801 HN ARG 49 -4.850 -51.271 6.591 1.00 37.46 ATOM 802 CA ARG 49 -6.303 -50.954 8.090 1.00 63.32 ATOM 803 HA ARG 49 -6.695 -51.731 8.736 1.00 10.22 ATOM 804 CB ARG 49 -5.231 -50.178 8.858 1.00 32.52 ATOM 805 HB1 ARG 49 -4.251 -50.545 8.575 1.00 37.46 ATOM 806 HB2 ARG 49 -5.377 -50.357 9.911 1.00 15.14 ATOM 807 CG ARG 49 -5.277 -48.678 8.620 1.00 13.00 ATOM 808 HG1 ARG 49 -6.161 -48.272 9.096 1.00 37.46 ATOM 809 HG2 ARG 49 -5.318 -48.497 7.573 1.00 44.43 ATOM 810 CD ARG 49 -4.052 -47.985 9.194 1.00 3.14 ATOM 811 HD1 ARG 49 -3.468 -47.592 8.381 1.00 37.46 ATOM 812 HD2 ARG 49 -3.437 -48.696 9.734 1.00 14.44 ATOM 813 NE ARG 49 -4.412 -46.882 10.082 1.00 60.50 ATOM 814 HE ARG 49 -4.389 -45.975 9.706 1.00 10.04 ATOM 815 CZ ARG 49 -4.763 -47.047 11.353 1.00 51.45 ATOM 816 NH1 ARG 49 -4.801 -48.262 11.882 1.00 44.33 ATOM 817 HH11 ARG 49 -4.572 -49.070 11.353 1.00 54.33 ATOM 818 HH12 ARG 49 -5.068 -48.373 12.842 1.00 32.51 ATOM 819 NH2 ARG 49 -5.077 -45.994 12.097 1.00 53.14 ATOM 820 HH21 ARG 49 -5.050 -45.073 11.703 1.00 21.32 ATOM 821 HH22 ARG 49 -5.342 -46.115 13.056 1.00 35.44 ATOM 822 C ARG 49 -7.444 -50.019 7.703 1.00 52.52 ATOM 823 O ARG 49 -8.239 -49.610 8.548 1.00 12.10 ATOM 824 N GLY 50 -7.518 -49.683 6.418 1.00 1.23 ATOM 825 HN GLY 50 -6.861 -50.013 5.774 1.00 37.46 ATOM 826 CA GLY 50 -8.564 -48.797 5.942 1.00 74.41 ATOM 827 HA1 GLY 50 -9.334 -48.671 6.694 1.00 37.46 ATOM 828 HA2 GLY 50 -9.014 -49.245 5.069 1.00 4.50 ATOM 829 C GLY 50 -8.036 -47.431 5.555 1.00 43.44 ATOM 830 O GLY 50 -8.691 -46.414 5.787 1.00 44.22 ATOM 831 N THR 51 -6.845 -47.404 4.963 1.00 13.12 ATOM 832 HN THR 51 -6.366 -48.245 4.788 1.00 37.46 ATOM 833 CA THR 51 -6.227 -46.152 4.546 1.00 53.25 ATOM 834 HA THR 51 -6.979 -45.534 4.071 1.00 24.30 ATOM 835 CB THR 51 -5.680 -45.366 5.752 1.00 41.32 ATOM 836 HB THR 51 -6.513 -45.061 6.370 1.00 3.03 ATOM 837 OG1 THR 51 -4.980 -44.201 5.301 1.00 54.44 ATOM 838 HG1 THR 51 -4.981 -43.535 5.993 1.00 72.44 ATOM 839 CG2 THR 51 -4.748 -46.232 6.585 1.00 64.44 ATOM 840 HG21 THR 51 -4.624 -47.205 6.152 1.00 31.13 ATOM 841 HG22 THR 51 -5.170 -46.317 7.563 1.00 2.13 ATOM 842 HG23 THR 51 -3.783 -45.750 6.664 1.00 53.14 ATOM 843 C THR 51 -5.092 -46.401 3.559 1.00 75.23 ATOM 844 O THR 51 -3.914 -46.252 3.881 1.00 44.24 ATOM 845 N PRO 52 -5.453 -46.790 2.327 1.00 53.23 ATOM 846 CA PRO 52 -4.479 -47.067 1.267 1.00 51.11 ATOM 847 HA PRO 52 -3.734 -47.779 1.590 1.00 51.13 ATOM 848 CB PRO 52 -5.331 -47.681 0.154 1.00 72.15 ATOM 849 HB1 PRO 52 -5.328 -48.733 0.249 1.00 37.46 ATOM 850 HB2 PRO 52 -4.964 -47.410 -0.826 1.00 32.11 ATOM 851 CG PRO 52 -6.701 -47.143 0.384 1.00 41.41 ATOM 852 HG1 PRO 52 -7.437 -47.839 0.010 1.00 37.46 ATOM 853 HG2 PRO 52 -6.806 -46.185 -0.104 1.00 31.52 ATOM 854 CD PRO 52 -6.840 -46.988 1.873 1.00 31.22 ATOM 855 HD1 PRO 52 -7.266 -47.880 2.308 1.00 37.46 ATOM 856 HD2 PRO 52 -7.452 -46.128 2.097 1.00 35.21 ATOM 857 C PRO 52 -3.786 -45.802 0.771 1.00 33.13 ATOM 858 O PRO 52 -3.953 -44.726 1.345 1.00 41.42 ATOM 859 N VAL 53 -3.009 -45.939 -0.298 1.00 64.11 ATOM 860 HN VAL 53 -2.890 -46.824 -0.711 1.00 37.46 ATOM 861 CA VAL 53 -2.292 -44.807 -0.872 1.00 44.30 ATOM 862 HA VAL 53 -2.540 -43.909 -0.311 1.00 71.32 ATOM 863 CB VAL 53 -0.767 -45.004 -0.782 1.00 63.23 ATOM 864 HB VAL 53 -0.494 -45.868 -1.375 1.00 61.24 ATOM 865 CG1 VAL 53 -0.037 -43.793 -1.344 1.00 74.30 ATOM 866 HG11 VAL 53 -0.386 -42.894 -0.853 1.00 42.40 ATOM 867 HG12 VAL 53 -0.213 -43.715 -2.406 1.00 51.51 ATOM 868 HG13 VAL 53 1.027 -43.899 -1.175 1.00 52.34 ATOM 869 CG2 VAL 53 -0.348 -45.269 0.656 1.00 61.41 ATOM 870 HG21 VAL 53 -0.882 -44.607 1.319 1.00 1.50 ATOM 871 HG22 VAL 53 0.713 -45.100 0.772 1.00 1.31 ATOM 872 HG23 VAL 53 -0.579 -46.292 0.909 1.00 33.33 ATOM 873 C VAL 53 -2.680 -44.592 -2.330 1.00 74.25 ATOM 874 O VAL 53 -2.385 -45.421 -3.190 1.00 51.13 ATOM 875 N ASN 54 -3.345 -43.473 -2.602 1.00 25.33 ATOM 876 HN ASN 54 -3.585 -42.861 -1.871 1.00 37.46 ATOM 877 CA ASN 54 -3.774 -43.149 -3.957 1.00 73.11 ATOM 878 HA ASN 54 -3.503 -43.958 -4.626 1.00 32.21 ATOM 879 CB ASN 54 -5.293 -42.968 -4.003 1.00 61.44 ATOM 880 HB1 ASN 54 -5.581 -42.581 -4.974 1.00 37.46 ATOM 881 HB2 ASN 54 -5.583 -42.258 -3.242 1.00 3.53 ATOM 882 CG ASN 54 -6.037 -44.270 -3.779 1.00 33.42 ATOM 883 OD1 ASN 54 -5.775 -45.271 -4.446 1.00 71.21 ATOM 884 ND2 ASN 54 -6.972 -44.262 -2.835 1.00 63.43 ATOM 885 HD21 ASN 54 -7.141 -43.434 -2.331 1.00 5.43 ATOM 886 HD22 ASN 54 -7.464 -45.095 -2.675 1.00 2.12 ATOM 887 C ASN 54 -3.085 -41.884 -4.458 1.00 42.24 ATOM 888 O ASN 54 -2.922 -41.689 -5.663 1.00 64.40 ATOM 889 N ARG 55 -2.682 -41.027 -3.526 1.00 21.02 ATOM 890 HN ARG 55 -2.864 -41.198 -2.580 1.00 37.46 ATOM 891 CA ARG 55 -2.011 -39.780 -3.873 1.00 24.24 ATOM 892 HA ARG 55 -1.623 -39.855 -4.883 1.00 43.23 ATOM 893 CB ARG 55 -2.997 -38.612 -3.817 1.00 72.42 ATOM 894 HB1 ARG 55 -3.671 -38.690 -4.660 1.00 37.46 ATOM 895 HB2 ARG 55 -2.449 -37.680 -3.904 1.00 12.13 ATOM 896 CG ARG 55 -3.811 -38.563 -2.534 1.00 44.42 ATOM 897 HG1 ARG 55 -3.975 -37.528 -2.270 1.00 37.46 ATOM 898 HG2 ARG 55 -3.269 -39.051 -1.733 1.00 24.41 ATOM 899 CD ARG 55 -5.157 -39.250 -2.701 1.00 3.00 ATOM 900 HD1 ARG 55 -5.435 -39.678 -1.748 1.00 37.46 ATOM 901 HD2 ARG 55 -5.081 -40.042 -3.435 1.00 2.30 ATOM 902 NE ARG 55 -6.200 -38.317 -3.117 1.00 51.30 ATOM 903 HE ARG 55 -5.933 -37.393 -3.335 1.00 40.44 ATOM 904 CZ ARG 55 -7.483 -38.646 -3.220 1.00 22.44 ATOM 905 NH1 ARG 55 -7.878 -39.880 -2.937 1.00 72.04 ATOM 906 HH11 ARG 55 -7.228 -40.580 -2.645 1.00 63.00 ATOM 907 HH12 ARG 55 -8.848 -40.120 -3.016 1.00 61.43 ATOM 908 NH2 ARG 55 -8.373 -37.741 -3.605 1.00 11.03 ATOM 909 HH21 ARG 55 -8.081 -36.807 -3.819 1.00 42.10 ATOM 910 HH22 ARG 55 -9.341 -37.988 -3.683 1.00 20.02 ATOM 911 C ARG 55 -0.838 -39.514 -2.933 1.00 31.41 ATOM 912 O ARG 55 -0.818 -39.995 -1.799 1.00 45.42 ATOM 913 N ILE 56 0.136 -38.748 -3.412 1.00 55.23 ATOM 914 HN ILE 56 0.074 -38.394 -4.329 1.00 37.46 ATOM 915 CA ILE 56 1.310 -38.418 -2.615 1.00 64.20 ATOM 916 HA ILE 56 1.165 -38.828 -1.627 1.00 53.41 ATOM 917 CB ILE 56 2.584 -39.056 -3.200 1.00 24.35 ATOM 918 HB ILE 56 2.750 -38.641 -4.186 1.00 12.33 ATOM 919 CG1 ILE 56 2.414 -40.572 -3.316 1.00 64.33 ATOM 920 HG11 ILE 56 1.471 -40.799 -3.794 1.00 37.46 ATOM 921 HG12 ILE 56 2.422 -41.016 -2.331 1.00 71.14 ATOM 922 CG2 ILE 56 3.790 -38.718 -2.336 1.00 23.02 ATOM 923 HG21 ILE 56 4.680 -39.117 -2.794 1.00 34.33 ATOM 924 HG22 ILE 56 3.675 -39.160 -1.360 1.00 14.34 ATOM 925 HG23 ILE 56 3.903 -37.649 -2.236 1.00 74.04 ATOM 926 CD1 ILE 56 3.497 -41.241 -4.134 1.00 43.41 ATOM 927 HD11 ILE 56 4.469 -40.876 -3.850 1.00 33.34 ATOM 928 HD12 ILE 56 3.327 -41.041 -5.180 1.00 20.24 ATOM 929 HD13 ILE 56 3.453 -42.304 -3.967 1.00 44.20 ATOM 930 C ILE 56 1.507 -36.909 -2.524 1.00 1.22 ATOM 931 O ILE 56 1.443 -36.188 -3.520 1.00 30.11 ATOM 932 N PRO 57 1.754 -36.417 -1.301 1.00 25.24 ATOM 933 CA PRO 57 1.968 -34.989 -1.050 1.00 4.12 ATOM 934 HA PRO 57 1.152 -34.395 -1.441 1.00 33.51 ATOM 935 CB PRO 57 1.980 -34.895 0.478 1.00 40.21 ATOM 936 HB1 PRO 57 0.983 -34.665 0.817 1.00 37.46 ATOM 937 HB2 PRO 57 2.665 -34.126 0.816 1.00 41.21 ATOM 938 CG PRO 57 2.400 -36.248 0.938 1.00 64.04 ATOM 939 HG1 PRO 57 1.989 -36.447 1.917 1.00 37.46 ATOM 940 HG2 PRO 57 3.478 -36.309 0.963 1.00 33.25 ATOM 941 CD PRO 57 1.845 -37.218 -0.068 1.00 70.12 ATOM 942 HD1 PRO 57 0.870 -37.556 0.235 1.00 37.46 ATOM 943 HD2 PRO 57 2.509 -38.047 -0.173 1.00 52.40 ATOM 944 C PRO 57 3.290 -34.491 -1.624 1.00 63.13 ATOM 945 O PRO 57 4.299 -35.196 -1.585 1.00 3.20 ATOM 946 N ILE 58 3.278 -33.274 -2.157 1.00 13.35 ATOM 947 HN ILE 58 2.445 -32.749 -2.162 1.00 37.46 ATOM 948 CA ILE 58 4.477 -32.682 -2.737 1.00 74.03 ATOM 949 HA ILE 58 5.272 -33.419 -2.738 1.00 55.02 ATOM 950 CB ILE 58 4.237 -32.238 -4.193 1.00 20.35 ATOM 951 HB ILE 58 3.436 -31.512 -4.201 1.00 50.13 ATOM 952 CG1 ILE 58 3.831 -33.436 -5.054 1.00 13.04 ATOM 953 HG11 ILE 58 3.696 -33.108 -6.071 1.00 37.46 ATOM 954 HG12 ILE 58 2.901 -33.842 -4.685 1.00 24.41 ATOM 955 CG2 ILE 58 5.484 -31.573 -4.755 1.00 61.04 ATOM 956 HG21 ILE 58 6.351 -32.181 -4.554 1.00 21.41 ATOM 957 HG22 ILE 58 5.615 -30.601 -4.305 1.00 12.50 ATOM 958 HG23 ILE 58 5.380 -31.447 -5.825 1.00 54.13 ATOM 959 CD1 ILE 58 4.854 -34.550 -5.061 1.00 44.55 ATOM 960 HD11 ILE 58 5.841 -34.162 -5.260 1.00 2.43 ATOM 961 HD12 ILE 58 4.594 -35.261 -5.831 1.00 31.31 ATOM 962 HD13 ILE 58 4.845 -35.049 -4.105 1.00 44.10 ATOM 963 C ILE 58 4.947 -31.482 -1.923 1.00 24.03 ATOM 964 O ILE 58 4.221 -30.501 -1.767 1.00 73.13 ATOM 965 N MET 59 6.169 -31.567 -1.406 1.00 71.00 ATOM 966 HN MET 59 6.713 -32.373 -1.558 1.00 37.46 ATOM 967 CA MET 59 6.738 -30.486 -0.610 1.00 23.24 ATOM 968 HA MET 59 6.014 -29.680 -0.540 1.00 35.30 ATOM 969 CB MET 59 7.051 -30.977 0.805 1.00 11.34 ATOM 970 HB1 MET 59 7.890 -31.661 0.762 1.00 37.46 ATOM 971 HB2 MET 59 6.194 -31.519 1.183 1.00 34.02 ATOM 972 CG MET 59 7.406 -29.858 1.772 1.00 70.33 ATOM 973 HG1 MET 59 7.916 -29.062 1.256 1.00 37.46 ATOM 974 HG2 MET 59 8.072 -30.261 2.520 1.00 70.25 ATOM 975 SD MET 59 5.959 -29.167 2.595 1.00 12.53 ATOM 976 CE MET 59 6.074 -29.953 4.200 1.00 22.42 ATOM 977 HE1 MET 59 5.686 -30.959 4.138 1.00 14.23 ATOM 978 HE2 MET 59 5.505 -29.390 4.917 1.00 51.22 ATOM 979 HE3 MET 59 7.108 -29.986 4.511 1.00 70.42 ATOM 980 C MET 59 8.004 -29.939 -1.262 1.00 12.22 ATOM 981 O MET 59 8.790 -30.689 -1.839 1.00 71.04 ATOM 982 N ALA 60 8.194 -28.627 -1.166 1.00 11.14 ATOM 983 HN ALA 60 7.534 -28.069 -0.695 1.00 37.46 ATOM 984 CA ALA 60 9.365 -27.980 -1.745 1.00 33.22 ATOM 985 HA ALA 60 9.251 -26.913 -1.622 1.00 54.44 ATOM 986 CB ALA 60 10.624 -28.410 -1.007 1.00 61.12 ATOM 987 HB1 ALA 60 10.487 -28.231 0.047 1.00 30.51 ATOM 988 HB2 ALA 60 11.464 -27.837 -1.368 1.00 40.24 ATOM 989 HB3 ALA 60 10.808 -29.462 -1.171 1.00 52.14 ATOM 990 C ALA 60 9.487 -28.295 -3.232 1.00 33.32 ATOM 991 O ALA 60 10.590 -28.380 -3.771 1.00 3.21 ATOM 992 N LYS 61 8.346 -28.469 -3.890 1.00 71.24 ATOM 993 HN LYS 61 7.485 -28.363 -3.431 1.00 37.46 ATOM 994 CA LYS 61 8.324 -28.775 -5.316 1.00 13.31 ATOM 995 HA LYS 61 7.294 -28.778 -5.638 1.00 54.55 ATOM 996 CB LYS 61 9.087 -27.705 -6.100 1.00 4.23 ATOM 997 HB1 LYS 61 8.858 -27.809 -7.147 1.00 37.46 ATOM 998 HB2 LYS 61 10.151 -27.856 -5.973 1.00 21.25 ATOM 999 CG LYS 61 8.770 -26.286 -5.660 1.00 73.01 ATOM 1000 HG1 LYS 61 9.398 -25.602 -6.205 1.00 37.46 ATOM 1001 HG2 LYS 61 8.974 -26.173 -4.610 1.00 60.32 ATOM 1002 CD LYS 61 7.312 -25.938 -5.910 1.00 50.13 ATOM 1003 HD1 LYS 61 7.132 -24.932 -5.560 1.00 37.46 ATOM 1004 HD2 LYS 61 6.678 -26.623 -5.367 1.00 53.34 ATOM 1005 CE LYS 61 6.968 -26.009 -7.390 1.00 40.13 ATOM 1006 HE1 LYS 61 5.978 -25.606 -7.525 1.00 37.46 ATOM 1007 HE2 LYS 61 6.982 -27.036 -7.717 1.00 12.21 ATOM 1008 NZ LYS 61 7.913 -25.210 -8.218 1.00 41.33 ATOM 1009 HZ1 LYS 61 7.606 -25.251 -9.201 1.00 72.02 ATOM 1010 HZ2 LYS 61 8.874 -25.599 -8.170 1.00 1.25 ATOM 1011 HZ3 LYS 61 7.927 -24.215 -7.910 1.00 54.01 ATOM 1012 C LYS 61 8.929 -30.148 -5.588 1.00 23.15 ATOM 1013 O LYS 61 9.361 -30.436 -6.704 1.00 11.45 ATOM 1014 N GLN 62 8.956 -30.992 -4.561 1.00 1.53 ATOM 1015 HN GLN 62 8.569 -30.738 -3.705 1.00 37.46 ATOM 1016 CA GLN 62 9.508 -32.335 -4.690 1.00 42.24 ATOM 1017 HA GLN 62 9.457 -32.636 -5.731 1.00 25.33 ATOM 1018 CB GLN 62 10.973 -32.352 -4.250 1.00 11.21 ATOM 1019 HB1 GLN 62 11.409 -31.377 -4.427 1.00 37.46 ATOM 1020 HB2 GLN 62 11.502 -33.083 -4.844 1.00 33.21 ATOM 1021 CG GLN 62 11.163 -32.708 -2.784 1.00 64.45 ATOM 1022 HG1 GLN 62 10.831 -33.723 -2.616 1.00 37.46 ATOM 1023 HG2 GLN 62 10.582 -32.039 -2.181 1.00 65.22 ATOM 1024 CD GLN 62 12.610 -32.605 -2.342 1.00 34.01 ATOM 1025 OE1 GLN 62 13.118 -31.512 -2.091 1.00 55.30 ATOM 1026 NE2 GLN 62 13.282 -33.746 -2.243 1.00 52.03 ATOM 1027 HE21 GLN 62 12.827 -34.592 -2.455 1.00 73.34 ATOM 1028 HE22 GLN 62 14.219 -33.699 -1.958 1.00 43.53 ATOM 1029 C GLN 62 8.705 -33.335 -3.866 1.00 22.43 ATOM 1030 O GLN 62 8.155 -32.993 -2.819 1.00 72.01 ATOM 1031 N VAL 63 8.642 -34.574 -4.344 1.00 40.14 ATOM 1032 HN VAL 63 9.074 -34.770 -5.207 1.00 37.46 ATOM 1033 CA VAL 63 7.907 -35.625 -3.651 1.00 52.10 ATOM 1034 HA VAL 63 6.879 -35.322 -3.586 1.00 21.23 ATOM 1035 CB VAL 63 7.972 -36.957 -4.421 1.00 70.12 ATOM 1036 HB VAL 63 7.497 -36.818 -5.381 1.00 64.15 ATOM 1037 CG1 VAL 63 9.417 -37.366 -4.660 1.00 25.12 ATOM 1038 HG11 VAL 63 9.434 -38.262 -5.264 1.00 32.00 ATOM 1039 HG12 VAL 63 9.908 -37.570 -3.722 1.00 45.15 ATOM 1040 HG13 VAL 63 9.949 -36.587 -5.181 1.00 53.13 ATOM 1041 CG2 VAL 63 7.219 -38.044 -3.669 1.00 71.13 ATOM 1042 HG21 VAL 63 7.675 -38.226 -2.708 1.00 10.32 ATOM 1043 HG22 VAL 63 7.247 -38.949 -4.237 1.00 44.24 ATOM 1044 HG23 VAL 63 6.192 -37.741 -3.528 1.00 54.40 ATOM 1045 C VAL 63 8.450 -35.838 -2.242 1.00 53.34 ATOM 1046 O VAL 63 9.663 -35.881 -2.033 1.00 33.44 ATOM 1047 N LEU 64 7.544 -35.970 -1.279 1.00 63.24 ATOM 1048 HN LEU 64 6.584 -35.939 -1.509 1.00 37.46 ATOM 1049 CA LEU 64 7.932 -36.179 0.111 1.00 32.54 ATOM 1050 HA LEU 64 8.767 -35.525 0.313 1.00 22.41 ATOM 1051 CB LEU 64 6.774 -35.819 1.044 1.00 40.32 ATOM 1052 HB1 LEU 64 6.022 -36.597 0.977 1.00 37.46 ATOM 1053 HB2 LEU 64 6.333 -34.897 0.682 1.00 14.21 ATOM 1054 CG LEU 64 7.134 -35.623 2.517 1.00 64.11 ATOM 1055 HG LEU 64 7.526 -36.550 2.909 1.00 33.52 ATOM 1056 CD1 LEU 64 8.210 -34.558 2.666 1.00 31.34 ATOM 1057 HD11 LEU 64 7.902 -33.650 2.165 1.00 72.13 ATOM 1058 HD12 LEU 64 9.134 -34.911 2.237 1.00 64.20 ATOM 1059 HD13 LEU 64 8.371 -34.347 3.715 1.00 14.04 ATOM 1060 CD2 LEU 64 5.899 -35.253 3.324 1.00 55.53 ATOM 1061 HD21 LEU 64 6.166 -35.139 4.366 1.00 21.20 ATOM 1062 HD22 LEU 64 5.158 -36.035 3.232 1.00 40.20 ATOM 1063 HD23 LEU 64 5.487 -34.323 2.956 1.00 34.45 ATOM 1064 C LEU 64 8.357 -37.625 0.346 1.00 24.25 ATOM 1065 O LEU 64 7.522 -38.528 0.398 1.00 20.12 ATOM 1066 N ASP 65 9.661 -37.837 0.490 1.00 10.31 ATOM 1067 HN ASP 65 10.271 -37.063 0.469 1.00 37.46 ATOM 1068 CA ASP 65 10.198 -39.172 0.723 1.00 33.53 ATOM 1069 HA ASP 65 9.924 -39.787 -0.118 1.00 33.02 ATOM 1070 CB ASP 65 11.723 -39.123 0.818 1.00 4.25 ATOM 1071 HB1 ASP 65 12.111 -40.127 0.748 1.00 37.46 ATOM 1072 HB2 ASP 65 12.016 -38.691 1.766 1.00 34.01 ATOM 1073 CG ASP 65 12.346 -38.293 -0.288 1.00 32.54 ATOM 1074 OD1 ASP 65 13.430 -37.718 -0.059 1.00 20.13 ATOM 1075 OD2 ASP 65 11.748 -38.219 -1.382 1.00 21.02 ATOM 1076 C ASP 65 9.616 -39.777 1.997 1.00 33.21 ATOM 1077 O ASP 65 10.035 -39.440 3.105 1.00 22.31 ATOM 1078 N LEU 66 8.647 -40.671 1.832 1.00 13.13 ATOM 1079 HN LEU 66 8.357 -40.904 0.919 1.00 37.46 ATOM 1080 CA LEU 66 8.005 -41.323 2.969 1.00 5.41 ATOM 1081 HA LEU 66 7.653 -40.559 3.642 1.00 23.04 ATOM 1082 CB LEU 66 6.825 -42.173 2.496 1.00 64.04 ATOM 1083 HB1 LEU 66 6.498 -42.795 3.323 1.00 37.46 ATOM 1084 HB2 LEU 66 7.179 -42.820 1.705 1.00 54.21 ATOM 1085 CG LEU 66 5.610 -41.404 1.977 1.00 75.40 ATOM 1086 HG LEU 66 5.895 -40.847 1.096 1.00 35.52 ATOM 1087 CD1 LEU 66 4.498 -42.365 1.585 1.00 32.45 ATOM 1088 HD11 LEU 66 4.856 -43.042 0.821 1.00 21.22 ATOM 1089 HD12 LEU 66 3.656 -41.807 1.198 1.00 74.11 ATOM 1090 HD13 LEU 66 4.184 -42.934 2.450 1.00 71.22 ATOM 1091 CD2 LEU 66 5.118 -40.415 3.023 1.00 31.04 ATOM 1092 HD21 LEU 66 4.946 -40.926 3.961 1.00 61.32 ATOM 1093 HD22 LEU 66 4.193 -39.962 2.690 1.00 24.23 ATOM 1094 HD23 LEU 66 5.853 -39.639 3.165 1.00 32.01 ATOM 1095 C LEU 66 9.001 -42.192 3.731 1.00 74.33 ATOM 1096 O LEU 66 9.016 -42.204 4.962 1.00 43.53 ATOM 1097 N PHE 67 9.832 -42.918 2.990 1.00 35.53 ATOM 1098 HN PHE 67 9.766 -42.880 2.006 1.00 37.46 ATOM 1099 CA PHE 67 10.831 -43.791 3.596 1.00 43.54 ATOM 1100 HA PHE 67 10.308 -44.547 4.167 1.00 53.31 ATOM 1101 CB PHE 67 11.669 -44.472 2.511 1.00 15.30 ATOM 1102 HB1 PHE 67 12.331 -43.744 2.055 1.00 37.46 ATOM 1103 HB2 PHE 67 11.002 -44.854 1.747 1.00 51.12 ATOM 1104 CG PHE 67 12.504 -45.609 3.025 1.00 71.33 ATOM 1105 CD1 PHE 67 12.164 -46.921 2.737 1.00 72.22 ATOM 1106 HD1 PHE 67 11.289 -47.127 2.136 1.00 72.01 ATOM 1107 CD2 PHE 67 13.629 -45.367 3.796 1.00 42.31 ATOM 1108 HD2 PHE 67 13.919 -44.353 4.024 1.00 30.13 ATOM 1109 CE1 PHE 67 12.931 -47.970 3.208 1.00 74.54 ATOM 1110 HE1 PHE 67 12.659 -48.987 2.975 1.00 35.31 ATOM 1111 CE2 PHE 67 14.400 -46.412 4.269 1.00 10.21 ATOM 1112 HE2 PHE 67 15.275 -46.209 4.869 1.00 43.44 ATOM 1113 CZ PHE 67 14.050 -47.715 3.976 1.00 74.24 ATOM 1114 HZ PHE 67 14.651 -48.533 4.345 1.00 64.31 ATOM 1115 C PHE 67 11.740 -43.005 4.537 1.00 72.11 ATOM 1116 O PHE 67 11.957 -43.402 5.682 1.00 53.45 ATOM 1117 N MET 68 12.269 -41.889 4.045 1.00 35.31 ATOM 1118 HN MET 68 12.029 -41.611 3.131 1.00 37.46 ATOM 1119 CA MET 68 13.153 -41.047 4.842 1.00 22.41 ATOM 1120 HA MET 68 13.951 -41.662 5.231 1.00 60.33 ATOM 1121 CB MET 68 13.748 -39.934 3.978 1.00 62.13 ATOM 1122 HB1 MET 68 14.470 -39.377 4.551 1.00 37.46 ATOM 1123 HB2 MET 68 12.944 -39.276 3.684 1.00 72.31 ATOM 1124 CG MET 68 14.406 -40.439 2.704 1.00 21.50 ATOM 1125 HG1 MET 68 14.857 -39.600 2.194 1.00 37.46 ATOM 1126 HG2 MET 68 13.657 -40.879 2.069 1.00 2.20 ATOM 1127 SD MET 68 15.685 -41.670 3.024 1.00 51.22 ATOM 1128 CE MET 68 16.614 -40.862 4.325 1.00 33.31 ATOM 1129 HE1 MET 68 16.031 -40.855 5.234 1.00 43.12 ATOM 1130 HE2 MET 68 16.836 -39.847 4.031 1.00 3.31 ATOM 1131 HE3 MET 68 17.537 -41.397 4.494 1.00 1.22 ATOM 1132 C MET 68 12.407 -40.443 6.027 1.00 32.22 ATOM 1133 O MET 68 12.873 -40.507 7.166 1.00 70.25 ATOM 1134 N LEU 69 11.247 -39.857 5.753 1.00 13.21 ATOM 1135 HN LEU 69 10.932 -39.832 4.818 1.00 37.46 ATOM 1136 CA LEU 69 10.435 -39.240 6.797 1.00 25.42 ATOM 1137 HA LEU 69 10.986 -38.398 7.181 1.00 10.22 ATOM 1138 CB LEU 69 9.096 -38.776 6.222 1.00 2.14 ATOM 1139 HB1 LEU 69 8.329 -39.489 6.504 1.00 37.46 ATOM 1140 HB2 LEU 69 9.159 -38.777 5.146 1.00 71.45 ATOM 1141 CG LEU 69 8.627 -37.386 6.653 1.00 34.05 ATOM 1142 HG LEU 69 8.594 -37.344 7.732 1.00 74.05 ATOM 1143 CD1 LEU 69 9.599 -36.321 6.172 1.00 42.33 ATOM 1144 HD11 LEU 69 10.599 -36.532 6.515 1.00 15.34 ATOM 1145 HD12 LEU 69 9.292 -35.358 6.555 1.00 62.12 ATOM 1146 HD13 LEU 69 9.582 -36.295 5.097 1.00 21.43 ATOM 1147 CD2 LEU 69 7.226 -37.109 6.127 1.00 31.21 ATOM 1148 HD21 LEU 69 6.577 -37.945 6.323 1.00 44.44 ATOM 1149 HD22 LEU 69 7.263 -36.940 5.060 1.00 53.03 ATOM 1150 HD23 LEU 69 6.831 -36.229 6.613 1.00 35.41 ATOM 1151 C LEU 69 10.198 -40.213 7.948 1.00 70.32 ATOM 1152 O LEU 69 10.348 -39.857 9.117 1.00 43.24 ATOM 1153 N TYR 70 9.828 -41.443 7.609 1.00 65.33 ATOM 1154 HN TYR 70 9.720 -41.671 6.654 1.00 37.46 ATOM 1155 CA TYR 70 9.570 -42.468 8.613 1.00 1.03 ATOM 1156 HA TYR 70 8.840 -42.087 9.310 1.00 54.45 ATOM 1157 CB TYR 70 9.007 -43.728 7.954 1.00 63.13 ATOM 1158 HB1 TYR 70 9.595 -43.956 7.073 1.00 37.46 ATOM 1159 HB2 TYR 70 7.988 -43.541 7.650 1.00 1.51 ATOM 1160 CG TYR 70 9.018 -44.941 8.857 1.00 41.31 ATOM 1161 CD1 TYR 70 7.922 -45.248 9.653 1.00 72.51 ATOM 1162 HD1 TYR 70 7.051 -44.608 9.623 1.00 2.41 ATOM 1163 CD2 TYR 70 10.125 -45.779 8.913 1.00 33.25 ATOM 1164 HD2 TYR 70 10.987 -45.559 8.300 1.00 3.41 ATOM 1165 CE1 TYR 70 7.928 -46.355 10.480 1.00 13.20 ATOM 1166 HE1 TYR 70 7.070 -46.587 11.078 1.00 71.22 ATOM 1167 CE2 TYR 70 10.139 -46.889 9.737 1.00 51.44 ATOM 1168 HE2 TYR 70 11.009 -47.529 9.767 1.00 5.42 ATOM 1169 CZ TYR 70 9.038 -47.172 10.518 1.00 4.13 ATOM 1170 OH TYR 70 9.048 -48.276 11.340 1.00 53.31 ATOM 1171 HH TYR 70 8.478 -48.960 10.976 1.00 25.51 ATOM 1172 C TYR 70 10.842 -42.808 9.384 1.00 61.52 ATOM 1173 O TYR 70 10.873 -42.746 10.613 1.00 70.10 ATOM 1174 N VAL 71 11.891 -43.169 8.651 1.00 3.54 ATOM 1175 HN VAL 71 11.806 -43.174 7.669 1.00 37.46 ATOM 1176 CA VAL 71 13.168 -43.518 9.264 1.00 54.51 ATOM 1177 HA VAL 71 13.027 -44.423 9.840 1.00 61.45 ATOM 1178 CB VAL 71 14.248 -43.781 8.198 1.00 21.03 ATOM 1179 HB VAL 71 14.359 -42.891 7.594 1.00 75.03 ATOM 1180 CG1 VAL 71 15.587 -44.078 8.857 1.00 74.21 ATOM 1181 HG11 VAL 71 16.293 -44.420 8.110 1.00 41.14 ATOM 1182 HG12 VAL 71 15.467 -44.847 9.608 1.00 32.45 ATOM 1183 HG13 VAL 71 15.977 -43.183 9.318 1.00 0.53 ATOM 1184 CG2 VAL 71 13.828 -44.923 7.286 1.00 63.43 ATOM 1185 HG21 VAL 71 12.765 -44.936 7.131 1.00 22.11 ATOM 1186 HG22 VAL 71 14.126 -45.871 7.716 1.00 34.21 ATOM 1187 HG23 VAL 71 14.322 -44.794 6.344 1.00 71.33 ATOM 1188 C VAL 71 13.649 -42.413 10.198 1.00 62.11 ATOM 1189 O VAL 71 14.175 -42.684 11.278 1.00 5.12 ATOM 1190 N LEU 72 13.466 -41.167 9.776 1.00 74.13 ATOM 1191 HN LEU 72 13.043 -41.009 8.901 1.00 37.46 ATOM 1192 CA LEU 72 13.881 -40.019 10.575 1.00 72.42 ATOM 1193 HA LEU 72 14.884 -40.205 10.924 1.00 73.34 ATOM 1194 CB LEU 72 13.850 -38.746 9.728 1.00 11.43 ATOM 1195 HB1 LEU 72 13.603 -37.920 10.361 1.00 37.46 ATOM 1196 HB2 LEU 72 13.069 -38.836 8.987 1.00 25.11 ATOM 1197 CG LEU 72 15.151 -38.384 9.012 1.00 65.23 ATOM 1198 HG LEU 72 15.008 -37.465 8.463 1.00 12.11 ATOM 1199 CD1 LEU 72 16.270 -38.161 10.017 1.00 2.23 ATOM 1200 HD11 LEU 72 15.961 -37.431 10.753 1.00 31.43 ATOM 1201 HD12 LEU 72 17.144 -37.791 9.500 1.00 51.02 ATOM 1202 HD13 LEU 72 16.519 -39.087 10.512 1.00 40.42 ATOM 1203 CD2 LEU 72 15.534 -39.472 8.019 1.00 74.41 ATOM 1204 HD21 LEU 72 15.560 -40.437 8.503 1.00 64.33 ATOM 1205 HD22 LEU 72 16.513 -39.257 7.609 1.00 52.34 ATOM 1206 HD23 LEU 72 14.823 -39.487 7.216 1.00 34.23 ATOM 1207 C LEU 72 12.983 -39.853 11.797 1.00 63.32 ATOM 1208 O LEU 72 13.457 -39.856 12.933 1.00 31.11 ATOM 1209 N VAL 73 11.684 -39.711 11.555 1.00 12.14 ATOM 1210 HN VAL 73 11.366 -39.725 10.623 1.00 37.46 ATOM 1211 CA VAL 73 10.719 -39.547 12.636 1.00 31.21 ATOM 1212 HA VAL 73 10.909 -38.595 13.115 1.00 54.11 ATOM 1213 CB VAL 73 9.274 -39.548 12.103 1.00 12.21 ATOM 1214 HB VAL 73 9.128 -40.444 11.517 1.00 51.45 ATOM 1215 CG1 VAL 73 8.280 -39.565 13.254 1.00 11.24 ATOM 1216 HG11 VAL 73 8.578 -38.872 14.020 1.00 12.22 ATOM 1217 HG12 VAL 73 8.227 -40.559 13.673 1.00 11.41 ATOM 1218 HG13 VAL 73 7.296 -39.292 12.893 1.00 61.03 ATOM 1219 CG2 VAL 73 9.038 -38.345 11.202 1.00 2.23 ATOM 1220 HG21 VAL 73 9.827 -38.247 10.480 1.00 53.01 ATOM 1221 HG22 VAL 73 9.008 -37.446 11.802 1.00 41.31 ATOM 1222 HG23 VAL 73 8.100 -38.455 10.692 1.00 14.21 ATOM 1223 C VAL 73 10.866 -40.652 13.676 1.00 32.21 ATOM 1224 O VAL 73 10.718 -40.416 14.876 1.00 43.44 ATOM 1225 N THR 74 11.158 -41.862 13.209 1.00 62.11 ATOM 1226 HN THR 74 11.259 -41.999 12.239 1.00 37.46 ATOM 1227 CA THR 74 11.325 -43.005 14.098 1.00 52.12 ATOM 1228 HA THR 74 10.490 -43.027 14.791 1.00 42.21 ATOM 1229 CB THR 74 11.336 -44.330 13.313 1.00 70.22 ATOM 1230 HB THR 74 11.564 -45.143 13.993 1.00 63.05 ATOM 1231 OG1 THR 74 12.335 -44.284 12.288 1.00 72.12 ATOM 1232 HG1 THR 74 12.613 -45.177 12.067 1.00 71.41 ATOM 1233 CG2 THR 74 9.975 -44.602 12.690 1.00 50.31 ATOM 1234 HG21 THR 74 9.368 -45.164 13.384 1.00 52.10 ATOM 1235 HG22 THR 74 10.111 -45.168 11.795 1.00 43.14 ATOM 1236 HG23 THR 74 9.474 -43.674 12.446 1.00 42.52 ATOM 1237 C THR 74 12.615 -42.893 14.902 1.00 41.33 ATOM 1238 O THR 74 12.602 -42.988 16.128 1.00 3.44 ATOM 1239 N GLU 75 13.727 -42.690 14.202 1.00 1.41 ATOM 1240 HN GLU 75 13.671 -42.621 13.218 1.00 37.46 ATOM 1241 CA GLU 75 15.026 -42.565 14.853 1.00 40.41 ATOM 1242 HA GLU 75 15.232 -43.491 15.372 1.00 14.33 ATOM 1243 CB GLU 75 16.122 -42.329 13.812 1.00 64.43 ATOM 1244 HB1 GLU 75 15.825 -42.770 12.878 1.00 37.46 ATOM 1245 HB2 GLU 75 17.021 -42.831 14.139 1.00 74.11 ATOM 1246 CG GLU 75 16.423 -40.860 13.565 1.00 35.51 ATOM 1247 HG1 GLU 75 15.544 -40.259 13.672 1.00 37.46 ATOM 1248 HG2 GLU 75 16.779 -40.765 12.550 1.00 23.13 ATOM 1249 CD GLU 75 17.505 -40.324 14.482 1.00 72.31 ATOM 1250 OE1 GLU 75 17.876 -39.141 14.334 1.00 34.14 ATOM 1251 OE2 GLU 75 17.981 -41.089 15.347 1.00 14.34 ATOM 1252 C GLU 75 15.019 -41.424 15.867 1.00 62.22 ATOM 1253 O GLU 75 15.835 -41.392 16.788 1.00 2.11 ATOM 1254 N LYS 76 14.092 -40.489 15.690 1.00 43.33 ATOM 1255 HN LYS 76 13.498 -40.521 14.910 1.00 37.46 ATOM 1256 CA LYS 76 13.977 -39.346 16.588 1.00 54.12 ATOM 1257 HA LYS 76 14.972 -39.046 16.891 1.00 34.43 ATOM 1258 CB LYS 76 13.287 -38.180 15.876 1.00 14.24 ATOM 1259 HB1 LYS 76 12.966 -37.446 16.608 1.00 37.46 ATOM 1260 HB2 LYS 76 12.417 -38.555 15.357 1.00 52.44 ATOM 1261 CG LYS 76 14.173 -37.475 14.864 1.00 74.12 ATOM 1262 HG1 LYS 76 13.597 -36.693 14.399 1.00 37.46 ATOM 1263 HG2 LYS 76 14.495 -38.181 14.121 1.00 71.13 ATOM 1264 CD LYS 76 15.402 -36.872 15.523 1.00 53.23 ATOM 1265 HD1 LYS 76 16.164 -37.636 15.576 1.00 37.46 ATOM 1266 HD2 LYS 76 15.174 -36.540 16.520 1.00 64.43 ATOM 1267 CE LYS 76 15.953 -35.708 14.713 1.00 3.05 ATOM 1268 HE1 LYS 76 15.210 -34.931 14.649 1.00 37.46 ATOM 1269 HE2 LYS 76 16.185 -36.059 13.717 1.00 50.35 ATOM 1270 NZ LYS 76 17.196 -35.152 15.317 1.00 12.04 ATOM 1271 HZ1 LYS 76 17.955 -35.864 15.292 1.00 2.11 ATOM 1272 HZ2 LYS 76 17.033 -34.873 16.306 1.00 44.32 ATOM 1273 HZ3 LYS 76 17.507 -34.316 14.783 1.00 3.11 ATOM 1274 C LYS 76 13.199 -39.719 17.846 1.00 23.21 ATOM 1275 O LYS 76 13.339 -39.079 18.887 1.00 45.41 ATOM 1276 N GLY 77 12.380 -40.761 17.743 1.00 70.40 ATOM 1277 HN GLY 77 12.280 -41.229 16.895 1.00 37.46 ATOM 1278 CA GLY 77 11.594 -41.202 18.880 1.00 31.44 ATOM 1279 HA1 GLY 77 11.585 -40.444 19.654 1.00 37.46 ATOM 1280 HA2 GLY 77 12.044 -42.097 19.282 1.00 41.44 ATOM 1281 C GLY 77 10.158 -41.514 18.507 1.00 63.40 ATOM 1282 O GLY 77 9.505 -42.331 19.154 1.00 33.32 ATOM 1283 N GLY 78 9.665 -40.860 17.460 1.00 61.34 ATOM 1284 HN GLY 78 10.220 -40.210 16.973 1.00 37.46 ATOM 1285 CA GLY 78 8.300 -41.085 17.021 1.00 42.45 ATOM 1286 HA1 GLY 78 7.721 -41.552 17.809 1.00 37.46 ATOM 1287 HA2 GLY 78 8.318 -41.747 16.169 1.00 44.22 ATOM 1288 C GLY 78 7.602 -39.801 16.619 1.00 12.42 ATOM 1289 O GLY 78 8.077 -38.705 16.923 1.00 31.40 ATOM 1290 N LEU 79 6.472 -39.933 15.933 1.00 31.13 ATOM 1291 HN LEU 79 6.144 -40.839 15.715 1.00 37.46 ATOM 1292 CA LEU 79 5.707 -38.774 15.488 1.00 51.43 ATOM 1293 HA LEU 79 6.294 -38.263 14.740 1.00 62.21 ATOM 1294 CB LEU 79 4.381 -39.220 14.869 1.00 42.13 ATOM 1295 HB1 LEU 79 3.833 -39.785 15.611 1.00 37.46 ATOM 1296 HB2 LEU 79 4.618 -39.873 14.053 1.00 14.10 ATOM 1297 CG LEU 79 3.475 -38.104 14.347 1.00 34.35 ATOM 1298 HG LEU 79 3.144 -37.508 15.177 1.00 1.13 ATOM 1299 CD1 LEU 79 4.235 -37.204 13.386 1.00 11.13 ATOM 1300 HD11 LEU 79 4.746 -36.441 13.955 1.00 61.51 ATOM 1301 HD12 LEU 79 3.554 -36.726 12.693 1.00 60.12 ATOM 1302 HD13 LEU 79 4.966 -37.771 12.834 1.00 13.44 ATOM 1303 CD2 LEU 79 2.243 -38.690 13.672 1.00 42.23 ATOM 1304 HD21 LEU 79 2.531 -39.277 12.816 1.00 3.43 ATOM 1305 HD22 LEU 79 1.601 -37.884 13.353 1.00 11.21 ATOM 1306 HD23 LEU 79 1.706 -39.315 14.373 1.00 15.13 ATOM 1307 C LEU 79 5.444 -37.817 16.646 1.00 12.11 ATOM 1308 O LEU 79 5.779 -36.634 16.577 1.00 72.32 ATOM 1309 N VAL 80 4.844 -38.337 17.712 1.00 75.10 ATOM 1310 HN VAL 80 4.631 -39.298 17.713 1.00 37.46 ATOM 1311 CA VAL 80 4.538 -37.530 18.887 1.00 24.35 ATOM 1312 HA VAL 80 3.834 -36.763 18.596 1.00 12.53 ATOM 1313 CB VAL 80 3.897 -38.380 20.000 1.00 14.03 ATOM 1314 HB VAL 80 4.599 -39.143 20.290 1.00 45.35 ATOM 1315 CG1 VAL 80 3.600 -37.524 21.222 1.00 2.02 ATOM 1316 HG11 VAL 80 2.846 -37.992 21.833 1.00 24.23 ATOM 1317 HG12 VAL 80 3.243 -36.549 20.916 1.00 4.55 ATOM 1318 HG13 VAL 80 4.503 -37.406 21.803 1.00 24.23 ATOM 1319 CG2 VAL 80 2.631 -39.055 19.492 1.00 4.32 ATOM 1320 HG21 VAL 80 2.186 -39.638 20.278 1.00 52.14 ATOM 1321 HG22 VAL 80 2.866 -39.707 18.666 1.00 64.35 ATOM 1322 HG23 VAL 80 1.936 -38.309 19.167 1.00 1.13 ATOM 1323 C VAL 80 5.794 -36.860 19.435 1.00 74.02 ATOM 1324 O VAL 80 5.816 -35.650 19.657 1.00 34.14 ATOM 1325 N GLU 81 6.837 -37.655 19.649 1.00 61.31 ATOM 1326 HN GLU 81 6.757 -38.620 19.453 1.00 37.46 ATOM 1327 CA GLU 81 8.097 -37.138 20.171 1.00 54.11 ATOM 1328 HA GLU 81 7.911 -36.754 21.165 1.00 42.05 ATOM 1329 CB GLU 81 9.138 -38.256 20.254 1.00 34.31 ATOM 1330 HB1 GLU 81 9.446 -38.527 19.251 1.00 37.46 ATOM 1331 HB2 GLU 81 8.677 -39.122 20.712 1.00 11.10 ATOM 1332 CG GLU 81 10.379 -37.874 21.042 1.00 24.40 ATOM 1333 HG1 GLU 81 10.429 -36.803 21.156 1.00 37.46 ATOM 1334 HG2 GLU 81 11.248 -38.210 20.496 1.00 24.12 ATOM 1335 CD GLU 81 10.410 -38.500 22.423 1.00 75.42 ATOM 1336 OE1 GLU 81 9.433 -38.318 23.179 1.00 74.51 ATOM 1337 OE2 GLU 81 11.411 -39.173 22.747 1.00 51.21 ATOM 1338 C GLU 81 8.622 -36.003 19.297 1.00 43.20 ATOM 1339 O GLU 81 9.259 -35.070 19.788 1.00 71.34 ATOM 1340 N VAL 82 8.352 -36.089 17.998 1.00 33.44 ATOM 1341 HN VAL 82 7.859 -36.867 17.649 1.00 37.46 ATOM 1342 CA VAL 82 8.796 -35.070 17.055 1.00 22.42 ATOM 1343 HA VAL 82 9.814 -34.814 17.296 1.00 52.13 ATOM 1344 CB VAL 82 8.754 -35.590 15.606 1.00 72.21 ATOM 1345 HB VAL 82 7.747 -35.902 15.381 1.00 2.31 ATOM 1346 CG1 VAL 82 9.134 -34.486 14.631 1.00 20.31 ATOM 1347 HG11 VAL 82 8.562 -34.625 13.725 1.00 34.24 ATOM 1348 HG12 VAL 82 10.181 -34.551 14.379 1.00 23.41 ATOM 1349 HG13 VAL 82 8.931 -33.505 15.013 1.00 3.21 ATOM 1350 CG2 VAL 82 9.670 -36.794 15.445 1.00 1.21 ATOM 1351 HG21 VAL 82 9.594 -37.171 14.439 1.00 44.13 ATOM 1352 HG22 VAL 82 9.404 -37.559 16.136 1.00 31.34 ATOM 1353 HG23 VAL 82 10.692 -36.495 15.630 1.00 44.33 ATOM 1354 C VAL 82 7.938 -33.814 17.158 1.00 23.43 ATOM 1355 O VAL 82 8.451 -32.695 17.115 1.00 34.45 ATOM 1356 N ILE 83 6.631 -34.007 17.295 1.00 72.32 ATOM 1357 HN ILE 83 6.277 -34.927 17.327 1.00 37.46 ATOM 1358 CA ILE 83 5.702 -32.890 17.406 1.00 53.32 ATOM 1359 HA ILE 83 5.853 -32.237 16.553 1.00 64.02 ATOM 1360 CB ILE 83 4.239 -33.370 17.392 1.00 74.41 ATOM 1361 HB ILE 83 4.097 -34.035 18.234 1.00 62.40 ATOM 1362 CG1 ILE 83 3.938 -34.123 16.094 1.00 44.31 ATOM 1363 HG11 ILE 83 4.791 -34.699 15.783 1.00 37.46 ATOM 1364 HG12 ILE 83 3.704 -33.415 15.310 1.00 75.41 ATOM 1365 CG2 ILE 83 3.292 -32.191 17.558 1.00 0.10 ATOM 1366 HG21 ILE 83 2.273 -32.516 17.389 1.00 34.33 ATOM 1367 HG22 ILE 83 3.539 -31.416 16.846 1.00 53.31 ATOM 1368 HG23 ILE 83 3.368 -31.796 18.560 1.00 43.11 ATOM 1369 CD1 ILE 83 2.768 -35.075 16.204 1.00 0.31 ATOM 1370 HD11 ILE 83 3.046 -35.919 16.813 1.00 13.44 ATOM 1371 HD12 ILE 83 2.494 -35.419 15.218 1.00 60.12 ATOM 1372 HD13 ILE 83 1.924 -34.569 16.652 1.00 51.04 ATOM 1373 C ILE 83 5.951 -32.092 18.681 1.00 30.24 ATOM 1374 O ILE 83 5.776 -30.875 18.708 1.00 3.24 ATOM 1375 N ASN 84 6.362 -32.788 19.737 1.00 42.33 ATOM 1376 HN ASN 84 6.483 -33.764 19.665 1.00 37.46 ATOM 1377 CA ASN 84 6.637 -32.144 21.016 1.00 23.23 ATOM 1378 HA ASN 84 5.923 -31.339 21.160 1.00 21.14 ATOM 1379 CB ASN 84 6.483 -33.149 22.160 1.00 60.03 ATOM 1380 HB1 ASN 84 6.826 -32.700 23.084 1.00 37.46 ATOM 1381 HB2 ASN 84 7.088 -34.018 21.945 1.00 54.12 ATOM 1382 CG ASN 84 5.044 -33.585 22.356 1.00 11.12 ATOM 1383 OD1 ASN 84 4.126 -32.766 22.324 1.00 14.53 ATOM 1384 ND2 ASN 84 4.841 -34.881 22.561 1.00 22.21 ATOM 1385 HD21 ASN 84 5.612 -35.492 22.578 1.00 45.41 ATOM 1386 HD22 ASN 84 3.917 -35.182 22.689 1.00 64.55 ATOM 1387 C ASN 84 8.041 -31.548 21.034 1.00 4.34 ATOM 1388 O ASN 84 8.245 -30.424 21.494 1.00 51.31 ATOM 1389 N LYS 85 9.008 -32.308 20.531 1.00 53.02 ATOM 1390 HN LYS 85 8.788 -33.205 20.184 1.00 37.46 ATOM 1391 CA LYS 85 10.393 -31.856 20.486 1.00 2.35 ATOM 1392 HA LYS 85 10.683 -31.551 21.485 1.00 53.22 ATOM 1393 CB LYS 85 11.308 -32.992 20.024 1.00 73.12 ATOM 1394 HB1 LYS 85 12.242 -32.576 19.661 1.00 37.46 ATOM 1395 HB2 LYS 85 10.830 -33.503 19.207 1.00 22.21 ATOM 1396 CG LYS 85 11.609 -34.011 21.110 1.00 44.54 ATOM 1397 HG1 LYS 85 11.376 -34.990 20.734 1.00 37.46 ATOM 1398 HG2 LYS 85 11.012 -33.815 21.991 1.00 63.11 ATOM 1399 CD LYS 85 13.079 -33.997 21.494 1.00 65.34 ATOM 1400 HD1 LYS 85 13.678 -34.197 20.616 1.00 37.46 ATOM 1401 HD2 LYS 85 13.252 -34.768 22.230 1.00 31.51 ATOM 1402 CE LYS 85 13.490 -32.656 22.081 1.00 41.42 ATOM 1403 HE1 LYS 85 12.710 -32.297 22.742 1.00 37.46 ATOM 1404 HE2 LYS 85 13.628 -31.952 21.275 1.00 41.51 ATOM 1405 NZ LYS 85 14.758 -32.754 22.855 1.00 44.20 ATOM 1406 HZ1 LYS 85 15.010 -31.822 23.241 1.00 4.02 ATOM 1407 HZ2 LYS 85 15.533 -33.080 22.241 1.00 74.33 ATOM 1408 HZ3 LYS 85 14.649 -33.424 23.645 1.00 20.55 ATOM 1409 C LYS 85 10.544 -30.656 19.556 1.00 25.42 ATOM 1410 O LYS 85 11.549 -29.946 19.600 1.00 10.25 ATOM 1411 N LYS 86 9.540 -30.436 18.715 1.00 40.41 ATOM 1412 HN LYS 86 8.787 -31.055 18.656 1.00 37.46 ATOM 1413 CA LYS 86 9.559 -29.321 17.775 1.00 3.34 ATOM 1414 HA LYS 86 8.726 -29.442 17.102 1.00 53.55 ATOM 1415 CB LYS 86 9.414 -27.994 18.524 1.00 44.32 ATOM 1416 HB1 LYS 86 9.458 -27.180 17.814 1.00 37.46 ATOM 1417 HB2 LYS 86 10.238 -27.894 19.217 1.00 72.13 ATOM 1418 CG LYS 86 8.123 -27.880 19.316 1.00 42.24 ATOM 1419 HG1 LYS 86 8.205 -27.043 19.997 1.00 37.46 ATOM 1420 HG2 LYS 86 7.976 -28.781 19.884 1.00 2.33 ATOM 1421 CD LYS 86 6.924 -27.686 18.402 1.00 4.44 ATOM 1422 HD1 LYS 86 6.089 -28.206 18.837 1.00 37.46 ATOM 1423 HD2 LYS 86 7.123 -28.092 17.420 1.00 61.40 ATOM 1424 CE LYS 86 6.565 -26.215 18.260 1.00 54.30 ATOM 1425 HE1 LYS 86 6.602 -25.735 19.229 1.00 37.46 ATOM 1426 HE2 LYS 86 5.567 -26.138 17.866 1.00 72.03 ATOM 1427 NZ LYS 86 7.486 -25.506 17.330 1.00 42.25 ATOM 1428 HZ1 LYS 86 8.410 -25.364 17.781 1.00 64.21 ATOM 1429 HZ2 LYS 86 7.092 -24.576 17.085 1.00 51.20 ATOM 1430 HZ3 LYS 86 7.618 -26.051 16.451 1.00 71.31 ATOM 1431 C LYS 86 10.848 -29.318 16.960 1.00 24.50 ATOM 1432 O LYS 86 11.314 -28.267 16.518 1.00 74.10 ATOM 1433 N LEU 87 11.420 -30.501 16.763 1.00 24.11 ATOM 1434 HN LEU 87 10.978 -31.302 17.083 1.00 37.46 ATOM 1435 CA LEU 87 12.656 -30.636 15.999 1.00 53.22 ATOM 1436 HA LEU 87 13.205 -29.703 16.047 1.00 74.11 ATOM 1437 CB LEU 87 13.531 -31.738 16.598 1.00 44.15 ATOM 1438 HB1 LEU 87 13.418 -31.711 17.675 1.00 37.46 ATOM 1439 HB2 LEU 87 14.560 -31.507 16.361 1.00 72.14 ATOM 1440 CG LEU 87 13.243 -33.160 16.116 1.00 30.20 ATOM 1441 HG LEU 87 13.529 -33.267 15.085 1.00 21.34 ATOM 1442 CD1 LEU 87 14.066 -34.168 16.904 1.00 42.45 ATOM 1443 HD11 LEU 87 13.756 -35.161 16.639 1.00 51.35 ATOM 1444 HD12 LEU 87 13.907 -34.020 17.965 1.00 52.04 ATOM 1445 HD13 LEU 87 15.109 -34.036 16.677 1.00 31.01 ATOM 1446 CD2 LEU 87 11.758 -33.473 16.235 1.00 44.32 ATOM 1447 HD21 LEU 87 11.179 -32.863 15.568 1.00 74.14 ATOM 1448 HD22 LEU 87 11.434 -33.306 17.246 1.00 20.34 ATOM 1449 HD23 LEU 87 11.594 -34.513 15.986 1.00 45.12 ATOM 1450 C LEU 87 12.359 -30.945 14.535 1.00 43.01 ATOM 1451 O LEU 87 13.217 -31.452 13.812 1.00 52.04 ATOM 1452 N TRP 88 11.142 -30.634 14.105 1.00 32.40 ATOM 1453 HN TRP 88 10.489 -30.238 14.709 1.00 37.46 ATOM 1454 CA TRP 88 10.733 -30.877 12.726 1.00 22.21 ATOM 1455 HA TRP 88 10.630 -31.946 12.597 1.00 75.42 ATOM 1456 CB TRP 88 9.395 -30.193 12.441 1.00 22.30 ATOM 1457 HB1 TRP 88 9.338 -29.912 11.395 1.00 37.46 ATOM 1458 HB2 TRP 88 9.320 -29.301 13.046 1.00 11.11 ATOM 1459 CG TRP 88 8.210 -31.062 12.736 1.00 54.45 ATOM 1460 CD1 TRP 88 7.257 -30.852 13.692 1.00 44.22 ATOM 1461 HD1 TRP 88 7.250 -30.014 14.372 1.00 22.12 ATOM 1462 CD2 TRP 88 7.852 -32.278 12.070 1.00 12.13 ATOM 1463 NE1 TRP 88 6.329 -31.865 13.661 1.00 2.41 ATOM 1464 HE1 TRP 88 5.549 -31.940 14.249 1.00 24.34 ATOM 1465 CE2 TRP 88 6.671 -32.751 12.675 1.00 72.43 ATOM 1466 CE3 TRP 88 8.413 -33.012 11.022 1.00 52.12 ATOM 1467 HE3 TRP 88 9.313 -32.681 10.532 1.00 45.54 ATOM 1468 CZ2 TRP 88 6.044 -33.925 12.265 1.00 62.23 ATOM 1469 HZ2 TRP 88 5.138 -34.282 12.732 1.00 41.22 ATOM 1470 CZ3 TRP 88 7.790 -34.177 10.616 1.00 11.23 ATOM 1471 HZ3 TRP 88 8.207 -34.756 9.807 1.00 42.31 ATOM 1472 CH2 TRP 88 6.615 -34.624 11.236 1.00 3.00 ATOM 1473 HH2 TRP 88 6.162 -35.540 10.887 1.00 62.32 ATOM 1474 C TRP 88 11.792 -30.378 11.749 1.00 73.12 ATOM 1475 O TRP 88 11.955 -30.931 10.661 1.00 50.21 ATOM 1476 N ARG 89 12.508 -29.331 12.143 1.00 5.24 ATOM 1477 HN ARG 89 12.310 -28.914 13.006 1.00 37.46 ATOM 1478 CA ARG 89 13.551 -28.757 11.301 1.00 71.22 ATOM 1479 HA ARG 89 13.076 -28.316 10.437 1.00 20.42 ATOM 1480 CB ARG 89 14.308 -27.667 12.061 1.00 42.21 ATOM 1481 HB1 ARG 89 14.938 -27.141 11.358 1.00 37.46 ATOM 1482 HB2 ARG 89 14.938 -28.135 12.811 1.00 41.33 ATOM 1483 CG ARG 89 13.400 -26.678 12.773 1.00 32.24 ATOM 1484 HG1 ARG 89 13.603 -26.722 13.830 1.00 37.46 ATOM 1485 HG2 ARG 89 12.360 -26.916 12.598 1.00 2.43 ATOM 1486 CD ARG 89 13.633 -25.257 12.286 1.00 13.42 ATOM 1487 HD1 ARG 89 12.992 -24.584 12.838 1.00 37.46 ATOM 1488 HD2 ARG 89 13.374 -25.208 11.237 1.00 43.14 ATOM 1489 NE ARG 89 15.026 -24.846 12.442 1.00 55.03 ATOM 1490 HE ARG 89 15.578 -24.806 11.630 1.00 63.53 ATOM 1491 CZ ARG 89 15.572 -24.529 13.610 1.00 22.11 ATOM 1492 NH1 ARG 89 14.847 -24.576 14.719 1.00 5.03 ATOM 1493 HH11 ARG 89 13.888 -24.839 14.711 1.00 62.02 ATOM 1494 HH12 ARG 89 15.273 -24.340 15.595 1.00 31.01 ATOM 1495 NH2 ARG 89 16.847 -24.165 13.671 1.00 52.14 ATOM 1496 HH21 ARG 89 17.401 -24.128 12.837 1.00 43.35 ATOM 1497 HH22 ARG 89 17.261 -23.925 14.551 1.00 2.42 ATOM 1498 C ARG 89 14.524 -29.834 10.831 1.00 23.41 ATOM 1499 O ARG 89 14.928 -29.855 9.669 1.00 41.30 ATOM 1500 N GLU 90 14.897 -30.727 11.743 1.00 14.13 ATOM 1501 HN GLU 90 14.524 -30.670 12.653 1.00 37.46 ATOM 1502 CA GLU 90 15.824 -31.806 11.422 1.00 54.43 ATOM 1503 HA GLU 90 16.726 -31.367 11.016 1.00 31.41 ATOM 1504 CB GLU 90 16.186 -32.590 12.685 1.00 71.05 ATOM 1505 HB1 GLU 90 16.899 -33.364 12.432 1.00 37.46 ATOM 1506 HB2 GLU 90 15.289 -33.058 13.071 1.00 1.34 ATOM 1507 CG GLU 90 16.769 -31.727 13.791 1.00 51.01 ATOM 1508 HG1 GLU 90 16.666 -32.260 14.725 1.00 37.46 ATOM 1509 HG2 GLU 90 16.231 -30.794 13.861 1.00 52.13 ATOM 1510 CD GLU 90 18.240 -31.424 13.581 1.00 72.21 ATOM 1511 OE1 GLU 90 18.632 -30.250 13.743 1.00 40.54 ATOM 1512 OE2 GLU 90 18.998 -32.361 13.255 1.00 43.13 ATOM 1513 C GLU 90 15.224 -32.746 10.380 1.00 11.02 ATOM 1514 O GLU 90 15.898 -33.150 9.432 1.00 22.24 ATOM 1515 N ILE 91 13.954 -33.090 10.564 1.00 13.00 ATOM 1516 HN ILE 91 13.463 -32.707 11.324 1.00 37.46 ATOM 1517 CA ILE 91 13.263 -33.982 9.641 1.00 41.22 ATOM 1518 HA ILE 91 13.792 -34.926 9.626 1.00 34.53 ATOM 1519 CB ILE 91 11.810 -34.236 10.085 1.00 65.53 ATOM 1520 HB ILE 91 11.264 -33.308 10.012 1.00 41.22 ATOM 1521 CG1 ILE 91 11.775 -34.719 11.536 1.00 12.23 ATOM 1522 HG11 ILE 91 10.747 -34.898 11.823 1.00 37.46 ATOM 1523 HG12 ILE 91 12.186 -33.966 12.186 1.00 2.50 ATOM 1524 CG2 ILE 91 11.147 -35.252 9.167 1.00 74.11 ATOM 1525 HG21 ILE 91 11.777 -36.126 9.067 1.00 24.45 ATOM 1526 HG22 ILE 91 10.985 -34.814 8.194 1.00 43.12 ATOM 1527 HG23 ILE 91 10.193 -35.550 9.579 1.00 62.53 ATOM 1528 CD1 ILE 91 12.542 -36.002 11.766 1.00 70.14 ATOM 1529 HD11 ILE 91 12.148 -36.776 11.132 1.00 34.34 ATOM 1530 HD12 ILE 91 12.420 -36.298 12.792 1.00 13.32 ATOM 1531 HD13 ILE 91 13.590 -35.855 11.558 1.00 14.41 ATOM 1532 C ILE 91 13.258 -33.412 8.226 1.00 22.23 ATOM 1533 O ILE 91 13.536 -34.121 7.258 1.00 15.11 ATOM 1534 N THR 92 12.942 -32.126 8.113 1.00 5.33 ATOM 1535 HN THR 92 12.723 -31.607 8.923 1.00 37.46 ATOM 1536 CA THR 92 12.902 -31.460 6.818 1.00 41.44 ATOM 1537 HA THR 92 12.246 -32.031 6.171 1.00 75.24 ATOM 1538 CB THR 92 12.364 -30.022 6.942 1.00 44.53 ATOM 1539 HB THR 92 13.082 -29.323 6.527 1.00 70.23 ATOM 1540 OG1 THR 92 12.159 -29.693 8.320 1.00 14.31 ATOM 1541 HG1 THR 92 12.197 -28.740 8.435 1.00 71.22 ATOM 1542 CG2 THR 92 11.059 -29.864 6.177 1.00 32.02 ATOM 1543 HG21 THR 92 10.484 -30.773 6.214 1.00 34.30 ATOM 1544 HG22 THR 92 11.280 -29.629 5.147 1.00 15.33 ATOM 1545 HG23 THR 92 10.491 -29.055 6.607 1.00 5.40 ATOM 1546 C THR 92 14.285 -31.420 6.177 1.00 55.44 ATOM 1547 O THR 92 14.454 -31.799 5.018 1.00 64.13 ATOM 1548 N LYS 93 15.271 -30.958 6.937 1.00 22.25 ATOM 1549 HN LYS 93 15.072 -30.665 7.859 1.00 37.46 ATOM 1550 CA LYS 93 16.641 -30.870 6.445 1.00 32.10 ATOM 1551 HA LYS 93 16.639 -30.215 5.582 1.00 14.10 ATOM 1552 CB LYS 93 17.556 -30.285 7.523 1.00 33.55 ATOM 1553 HB1 LYS 93 17.902 -31.080 8.173 1.00 37.46 ATOM 1554 HB2 LYS 93 16.988 -29.584 8.124 1.00 13.51 ATOM 1555 CG LYS 93 18.775 -29.572 6.965 1.00 23.54 ATOM 1556 HG1 LYS 93 19.087 -30.050 6.044 1.00 37.46 ATOM 1557 HG2 LYS 93 19.573 -29.641 7.690 1.00 52.21 ATOM 1558 CD LYS 93 18.488 -28.105 6.695 1.00 3.04 ATOM 1559 HD1 LYS 93 18.213 -27.622 7.623 1.00 37.46 ATOM 1560 HD2 LYS 93 17.671 -28.029 5.992 1.00 40.11 ATOM 1561 CE LYS 93 19.701 -27.399 6.109 1.00 51.41 ATOM 1562 HE1 LYS 93 19.361 -26.522 5.578 1.00 37.46 ATOM 1563 HE2 LYS 93 20.209 -28.057 5.415 1.00 65.35 ATOM 1564 NZ LYS 93 20.660 -26.973 7.166 1.00 53.33 ATOM 1565 HZ1 LYS 93 21.476 -26.495 6.732 1.00 23.42 ATOM 1566 HZ2 LYS 93 21.003 -27.799 7.699 1.00 50.33 ATOM 1567 HZ3 LYS 93 20.200 -26.313 7.828 1.00 21.01 ATOM 1568 C LYS 93 17.154 -32.241 6.016 1.00 21.15 ATOM 1569 O LYS 93 17.950 -32.353 5.085 1.00 21.32 ATOM 1570 N GLY 94 16.692 -33.282 6.702 1.00 35.31 ATOM 1571 HN GLY 94 16.072 -33.151 7.453 1.00 37.46 ATOM 1572 CA GLY 94 17.114 -34.632 6.376 1.00 0.22 ATOM 1573 HA1 GLY 94 16.569 -35.326 6.999 1.00 37.46 ATOM 1574 HA2 GLY 94 18.170 -34.731 6.585 1.00 44.01 ATOM 1575 C GLY 94 16.866 -34.982 4.922 1.00 1.14 ATOM 1576 O GLY 94 17.641 -35.721 4.313 1.00 51.51 ATOM 1577 N LEU 95 15.783 -34.453 4.365 1.00 51.44 ATOM 1578 HN LEU 95 15.219 -33.837 4.884 1.00 37.46 ATOM 1579 CA LEU 95 15.433 -34.714 2.973 1.00 64.53 ATOM 1580 HA LEU 95 15.900 -35.640 2.658 1.00 50.21 ATOM 1581 CB LEU 95 13.919 -34.870 2.827 1.00 33.32 ATOM 1582 HB1 LEU 95 13.738 -35.565 2.018 1.00 37.46 ATOM 1583 HB2 LEU 95 13.494 -33.923 2.548 1.00 24.41 ATOM 1584 CG LEU 95 13.175 -35.378 4.063 1.00 75.33 ATOM 1585 HG LEU 95 13.361 -34.721 4.894 1.00 62.14 ATOM 1586 CD1 LEU 95 11.674 -35.381 3.818 1.00 75.40 ATOM 1587 HD11 LEU 95 11.192 -34.797 4.587 1.00 31.01 ATOM 1588 HD12 LEU 95 11.287 -36.391 3.843 1.00 64.04 ATOM 1589 HD13 LEU 95 11.444 -34.946 2.854 1.00 15.50 ATOM 1590 CD2 LEU 95 13.658 -36.771 4.441 1.00 11.44 ATOM 1591 HD21 LEU 95 12.994 -37.215 5.172 1.00 1.32 ATOM 1592 HD22 LEU 95 14.652 -36.706 4.857 1.00 31.04 ATOM 1593 HD23 LEU 95 13.683 -37.381 3.557 1.00 24.33 ATOM 1594 C LEU 95 15.930 -33.593 2.066 1.00 0.32 ATOM 1595 O LEU 95 15.576 -33.529 0.890 1.00 72.31 ATOM 1596 N ASN 96 16.754 -32.711 2.622 1.00 2.43 ATOM 1597 HN ASN 96 17.030 -32.799 3.538 1.00 37.46 ATOM 1598 CA ASN 96 17.301 -31.592 1.863 1.00 3.24 ATOM 1599 HA ASN 96 17.965 -31.053 2.522 1.00 44.42 ATOM 1600 CB ASN 96 18.078 -32.104 0.649 1.00 41.33 ATOM 1601 HB1 ASN 96 17.404 -32.306 -0.174 1.00 37.46 ATOM 1602 HB2 ASN 96 18.584 -33.021 0.917 1.00 21.34 ATOM 1603 CG ASN 96 19.130 -31.118 0.177 1.00 13.25 ATOM 1604 OD1 ASN 96 19.101 -30.662 -0.966 1.00 1.13 ATOM 1605 ND2 ASN 96 20.065 -30.784 1.059 1.00 21.41 ATOM 1606 HD21 ASN 96 20.042 -31.180 1.959 1.00 61.33 ATOM 1607 HD22 ASN 96 20.752 -30.146 0.774 1.00 32.31 ATOM 1608 C ASN 96 16.192 -30.647 1.411 1.00 71.45 ATOM 1609 O ASN 96 16.125 -30.266 0.241 1.00 3.53 ATOM 1610 N LEU 97 15.323 -30.274 2.343 1.00 2.25 ATOM 1611 HN LEU 97 15.431 -30.596 3.269 1.00 37.46 ATOM 1612 CA LEU 97 14.216 -29.373 2.041 1.00 21.14 ATOM 1613 HA LEU 97 14.090 -29.342 0.967 1.00 21.41 ATOM 1614 CB LEU 97 12.920 -29.901 2.659 1.00 2.22 ATOM 1615 HB1 LEU 97 12.097 -29.343 2.245 1.00 37.46 ATOM 1616 HB2 LEU 97 12.952 -29.716 3.726 1.00 24.10 ATOM 1617 CG LEU 97 12.639 -31.390 2.459 1.00 71.45 ATOM 1618 HG LEU 97 13.378 -31.957 2.987 1.00 1.11 ATOM 1619 CD1 LEU 97 11.272 -31.756 3.017 1.00 4.44 ATOM 1620 HD11 LEU 97 11.255 -31.570 4.077 1.00 54.21 ATOM 1621 HD12 LEU 97 11.074 -32.803 2.839 1.00 24.11 ATOM 1622 HD13 LEU 97 10.509 -31.161 2.535 1.00 20.33 ATOM 1623 CD2 LEU 97 12.729 -31.756 0.984 1.00 23.32 ATOM 1624 HD21 LEU 97 12.480 -32.801 0.853 1.00 3.12 ATOM 1625 HD22 LEU 97 13.732 -31.589 0.624 1.00 72.44 ATOM 1626 HD23 LEU 97 12.036 -31.151 0.415 1.00 15.02 ATOM 1627 C LEU 97 14.503 -27.966 2.557 1.00 74.33 ATOM 1628 O LEU 97 15.243 -27.771 3.521 1.00 14.40 ATOM 1629 N PRO 98 13.902 -26.962 1.901 1.00 13.05 ATOM 1630 CA PRO 98 14.075 -25.556 2.278 1.00 51.24 ATOM 1631 HA PRO 98 15.123 -25.288 2.317 1.00 22.23 ATOM 1632 CB PRO 98 13.402 -24.797 1.131 1.00 11.43 ATOM 1633 HB1 PRO 98 14.144 -24.541 0.390 1.00 37.46 ATOM 1634 HB2 PRO 98 12.928 -23.892 1.492 1.00 53.40 ATOM 1635 CG PRO 98 12.404 -25.754 0.577 1.00 63.10 ATOM 1636 HG1 PRO 98 12.244 -25.545 -0.470 1.00 37.46 ATOM 1637 HG2 PRO 98 11.490 -25.669 1.109 1.00 54.41 ATOM 1638 CD PRO 98 13.006 -27.122 0.743 1.00 4.14 ATOM 1639 HD1 PRO 98 13.560 -27.406 -0.139 1.00 37.46 ATOM 1640 HD2 PRO 98 12.243 -27.834 0.958 1.00 44.31 ATOM 1641 C PRO 98 13.401 -25.223 3.605 1.00 63.44 ATOM 1642 O PRO 98 12.210 -25.474 3.789 1.00 73.54 ATOM 1643 N THR 99 14.171 -24.656 4.528 1.00 22.33 ATOM 1644 HN THR 99 15.115 -24.496 4.316 1.00 37.46 ATOM 1645 CA THR 99 13.649 -24.290 5.839 1.00 41.03 ATOM 1646 HA THR 99 13.080 -25.126 6.228 1.00 54.44 ATOM 1647 CB THR 99 14.787 -23.988 6.832 1.00 13.52 ATOM 1648 HB THR 99 15.335 -24.901 7.017 1.00 53.35 ATOM 1649 OG1 THR 99 14.244 -23.508 8.067 1.00 13.04 ATOM 1650 HG1 THR 99 13.943 -24.250 8.597 1.00 75.41 ATOM 1651 CG2 THR 99 15.745 -22.955 6.259 1.00 45.10 ATOM 1652 HG21 THR 99 16.319 -23.392 5.458 1.00 13.04 ATOM 1653 HG22 THR 99 16.420 -22.633 7.038 1.00 30.33 ATOM 1654 HG23 THR 99 15.202 -22.097 5.889 1.00 10.00 ATOM 1655 C THR 99 12.734 -23.074 5.746 1.00 62.22 ATOM 1656 O THR 99 11.985 -22.777 6.676 1.00 3.43 ATOM 1657 N SER 100 12.799 -22.375 4.617 1.00 23.22 ATOM 1658 HN SER 100 13.441 -22.623 3.918 1.00 37.46 ATOM 1659 CA SER 100 11.978 -21.189 4.404 1.00 23.03 ATOM 1660 HA SER 100 12.182 -20.489 5.204 1.00 62.24 ATOM 1661 CB SER 100 12.334 -20.529 3.071 1.00 61.34 ATOM 1662 HB1 SER 100 11.878 -21.071 2.251 1.00 37.46 ATOM 1663 HB2 SER 100 13.408 -20.537 2.946 1.00 32.33 ATOM 1664 OG SER 100 11.894 -19.183 3.034 1.00 4.44 ATOM 1665 HG SER 100 10.958 -19.155 2.821 1.00 31.32 ATOM 1666 C SER 100 10.495 -21.544 4.429 1.00 14.44 ATOM 1667 O SER 100 9.643 -20.681 4.645 1.00 12.01 ATOM 1668 N ILE 101 10.194 -22.819 4.207 1.00 12.42 ATOM 1669 HN ILE 101 10.905 -23.457 4.010 1.00 37.46 ATOM 1670 CA ILE 101 8.814 -23.288 4.205 1.00 31.22 ATOM 1671 HA ILE 101 8.326 -22.864 3.334 1.00 72.32 ATOM 1672 CB ILE 101 8.742 -24.823 4.098 1.00 53.12 ATOM 1673 HB ILE 101 9.257 -25.242 4.948 1.00 10.53 ATOM 1674 CG1 ILE 101 9.430 -25.299 2.817 1.00 71.30 ATOM 1675 HG11 ILE 101 10.332 -24.745 2.642 1.00 37.46 ATOM 1676 HG12 ILE 101 8.768 -25.143 1.975 1.00 51.12 ATOM 1677 CG2 ILE 101 7.294 -25.289 4.132 1.00 12.33 ATOM 1678 HG21 ILE 101 6.718 -24.755 3.388 1.00 53.24 ATOM 1679 HG22 ILE 101 6.871 -25.113 5.109 1.00 35.42 ATOM 1680 HG23 ILE 101 7.247 -26.349 3.921 1.00 63.04 ATOM 1681 CD1 ILE 101 9.794 -26.767 2.837 1.00 63.21 ATOM 1682 HD11 ILE 101 10.345 -27.023 1.949 1.00 23.22 ATOM 1683 HD12 ILE 101 8.890 -27.355 2.871 1.00 53.13 ATOM 1684 HD13 ILE 101 10.390 -26.987 3.709 1.00 44.00 ATOM 1685 C ILE 101 8.080 -22.843 5.465 1.00 12.14 ATOM 1686 O ILE 101 8.481 -23.174 6.582 1.00 44.24 ATOM 1687 N THR 102 6.999 -22.091 5.280 1.00 43.11 ATOM 1688 HN THR 102 6.716 -21.867 4.362 1.00 37.46 ATOM 1689 CA THR 102 6.208 -21.600 6.401 1.00 32.41 ATOM 1690 HA THR 102 6.901 -21.234 7.156 1.00 1.12 ATOM 1691 CB THR 102 5.291 -20.438 5.976 1.00 71.15 ATOM 1692 HB THR 102 4.333 -20.832 5.651 1.00 72.10 ATOM 1693 OG1 THR 102 5.881 -19.723 4.884 1.00 73.20 ATOM 1694 HG1 THR 102 5.516 -20.038 4.053 1.00 62.24 ATOM 1695 CG2 THR 102 5.047 -19.488 7.138 1.00 11.20 ATOM 1696 HG21 THR 102 4.403 -18.684 6.814 1.00 3.13 ATOM 1697 HG22 THR 102 5.988 -19.079 7.476 1.00 40.35 ATOM 1698 HG23 THR 102 4.574 -20.022 7.950 1.00 11.42 ATOM 1699 C THR 102 5.355 -22.713 7.000 1.00 13.41 ATOM 1700 O THR 102 4.680 -23.447 6.279 1.00 72.22 ATOM 1701 N SER 103 5.389 -22.831 8.324 1.00 52.34 ATOM 1702 HN SER 103 5.942 -22.217 8.858 1.00 37.46 ATOM 1703 CA SER 103 4.620 -23.856 9.020 1.00 64.24 ATOM 1704 HA SER 103 4.846 -23.782 10.073 1.00 75.22 ATOM 1705 CB SER 103 3.122 -23.627 8.815 1.00 73.53 ATOM 1706 HB1 SER 103 2.576 -24.084 9.628 1.00 37.46 ATOM 1707 HB2 SER 103 2.803 -24.064 7.877 1.00 54.41 ATOM 1708 OG SER 103 2.817 -22.244 8.783 1.00 54.02 ATOM 1709 HG SER 103 2.773 -21.902 9.680 1.00 50.05 ATOM 1710 C SER 103 5.005 -25.249 8.530 1.00 23.14 ATOM 1711 O SER 103 4.214 -26.188 8.611 1.00 11.01 ATOM 1712 N ALA 104 6.227 -25.374 8.023 1.00 61.34 ATOM 1713 HN ALA 104 6.843 -24.609 8.027 1.00 37.46 ATOM 1714 CA ALA 104 6.719 -26.652 7.522 1.00 41.21 ATOM 1715 HA ALA 104 6.159 -26.900 6.631 1.00 23.23 ATOM 1716 CB ALA 104 8.188 -26.539 7.141 1.00 73.03 ATOM 1717 HB1 ALA 104 8.442 -27.325 6.446 1.00 35.31 ATOM 1718 HB2 ALA 104 8.811 -26.623 8.023 1.00 4.41 ATOM 1719 HB3 ALA 104 8.362 -25.587 6.683 1.00 41.23 ATOM 1720 C ALA 104 6.522 -27.758 8.553 1.00 74.24 ATOM 1721 O ALA 104 6.142 -28.878 8.210 1.00 14.53 ATOM 1722 N ALA 105 6.783 -27.437 9.816 1.00 73.54 ATOM 1723 HN ALA 105 7.096 -26.526 10.032 1.00 37.46 ATOM 1724 CA ALA 105 6.632 -28.404 10.896 1.00 63.30 ATOM 1725 HA ALA 105 7.235 -29.272 10.661 1.00 15.15 ATOM 1726 CB ALA 105 7.145 -27.819 12.203 1.00 2.23 ATOM 1727 HB1 ALA 105 6.714 -26.837 12.342 1.00 11.31 ATOM 1728 HB2 ALA 105 8.217 -27.727 12.159 1.00 73.31 ATOM 1729 HB3 ALA 105 6.869 -28.440 13.030 1.00 11.23 ATOM 1730 C ALA 105 5.179 -28.841 11.044 1.00 54.52 ATOM 1731 O ALA 105 4.894 -30.013 11.287 1.00 34.23 ATOM 1732 N PHE 106 4.262 -27.889 10.896 1.00 63.42 ATOM 1733 HN PHE 106 4.546 -26.964 10.705 1.00 37.46 ATOM 1734 CA PHE 106 2.837 -28.176 11.015 1.00 43.43 ATOM 1735 HA PHE 106 2.695 -28.808 11.885 1.00 50.12 ATOM 1736 CB PHE 106 2.049 -26.878 11.203 1.00 51.25 ATOM 1737 HB1 PHE 106 1.793 -26.458 10.236 1.00 37.46 ATOM 1738 HB2 PHE 106 2.673 -26.163 11.729 1.00 23.14 ATOM 1739 CG PHE 106 0.788 -27.052 12.001 1.00 64.35 ATOM 1740 CD1 PHE 106 -0.447 -27.072 11.374 1.00 60.13 ATOM 1741 HD1 PHE 106 -0.503 -26.961 10.299 1.00 52.15 ATOM 1742 CD2 PHE 106 0.839 -27.196 13.378 1.00 61.03 ATOM 1743 HD2 PHE 106 1.796 -27.183 13.882 1.00 55.45 ATOM 1744 CE1 PHE 106 -1.609 -27.233 12.105 1.00 42.10 ATOM 1745 HE1 PHE 106 -2.566 -27.246 11.604 1.00 52.15 ATOM 1746 CE2 PHE 106 -0.319 -27.358 14.114 1.00 12.52 ATOM 1747 HE2 PHE 106 -0.266 -27.469 15.187 1.00 15.00 ATOM 1748 CZ PHE 106 -1.545 -27.375 13.477 1.00 3.22 ATOM 1749 HZ PHE 106 -2.444 -27.500 14.042 1.00 30.24 ATOM 1750 C PHE 106 2.328 -28.920 9.784 1.00 34.01 ATOM 1751 O PHE 106 1.377 -29.699 9.864 1.00 12.31 ATOM 1752 N THR 107 2.967 -28.675 8.644 1.00 13.34 ATOM 1753 HN THR 107 3.718 -28.038 8.628 1.00 37.46 ATOM 1754 CA THR 107 2.578 -29.319 7.396 1.00 23.13 ATOM 1755 HA THR 107 1.495 -29.331 7.337 1.00 0.12 ATOM 1756 CB THR 107 3.112 -28.546 6.175 1.00 34.23 ATOM 1757 HB THR 107 4.186 -28.480 6.253 1.00 51.21 ATOM 1758 OG1 THR 107 2.567 -27.222 6.158 1.00 41.04 ATOM 1759 HG1 THR 107 3.152 -26.638 5.668 1.00 33.43 ATOM 1760 CG2 THR 107 2.755 -29.264 4.882 1.00 33.04 ATOM 1761 HG21 THR 107 1.683 -29.330 4.796 1.00 14.34 ATOM 1762 HG22 THR 107 3.188 -30.251 4.859 1.00 52.01 ATOM 1763 HG23 THR 107 3.137 -28.694 4.048 1.00 0.33 ATOM 1764 C THR 107 3.088 -30.755 7.337 1.00 53.40 ATOM 1765 O THR 107 2.322 -31.686 7.085 1.00 62.14 ATOM 1766 N LEU 108 4.384 -30.927 7.571 1.00 32.54 ATOM 1767 HN LEU 108 4.946 -30.141 7.763 1.00 37.46 ATOM 1768 CA LEU 108 4.996 -32.251 7.545 1.00 21.34 ATOM 1769 HA LEU 108 4.953 -32.618 6.530 1.00 22.25 ATOM 1770 CB LEU 108 6.460 -32.166 7.980 1.00 22.34 ATOM 1771 HB1 LEU 108 6.858 -33.174 8.051 1.00 37.46 ATOM 1772 HB2 LEU 108 6.467 -31.738 8.976 1.00 31.04 ATOM 1773 CG LEU 108 7.380 -31.340 7.082 1.00 45.34 ATOM 1774 HG LEU 108 6.822 -30.537 6.640 1.00 33.24 ATOM 1775 CD1 LEU 108 8.506 -30.720 7.896 1.00 72.14 ATOM 1776 HD11 LEU 108 8.173 -30.510 8.905 1.00 52.34 ATOM 1777 HD12 LEU 108 8.785 -29.793 7.438 1.00 50.53 ATOM 1778 HD13 LEU 108 9.361 -31.383 7.936 1.00 35.21 ATOM 1779 CD2 LEU 108 7.943 -32.200 5.959 1.00 13.41 ATOM 1780 HD21 LEU 108 8.572 -31.596 5.320 1.00 11.24 ATOM 1781 HD22 LEU 108 7.131 -32.609 5.374 1.00 73.54 ATOM 1782 HD23 LEU 108 8.527 -33.009 6.376 1.00 63.40 ATOM 1783 C LEU 108 4.240 -33.219 8.451 1.00 42.24 ATOM 1784 O LEU 108 4.021 -34.376 8.093 1.00 74.12 ATOM 1785 N ARG 109 3.843 -32.736 9.623 1.00 11.03 ATOM 1786 HN ARG 109 4.059 -31.804 9.863 1.00 37.46 ATOM 1787 CA ARG 109 3.110 -33.558 10.579 1.00 5.33 ATOM 1788 HA ARG 109 3.737 -34.393 10.855 1.00 22.03 ATOM 1789 CB ARG 109 2.783 -32.747 11.835 1.00 73.42 ATOM 1790 HB1 ARG 109 2.236 -31.877 11.526 1.00 37.46 ATOM 1791 HB2 ARG 109 3.707 -32.436 12.301 1.00 53.32 ATOM 1792 CG ARG 109 1.963 -33.516 12.859 1.00 43.42 ATOM 1793 HG1 ARG 109 2.611 -34.220 13.358 1.00 37.46 ATOM 1794 HG2 ARG 109 1.161 -34.053 12.375 1.00 54.32 ATOM 1795 CD ARG 109 1.363 -32.587 13.903 1.00 45.44 ATOM 1796 HD1 ARG 109 1.952 -31.686 13.997 1.00 37.46 ATOM 1797 HD2 ARG 109 1.390 -33.108 14.850 1.00 40.42 ATOM 1798 NE ARG 109 -0.032 -32.266 13.613 1.00 45.31 ATOM 1799 HE ARG 109 -0.714 -32.893 13.928 1.00 72.24 ATOM 1800 CZ ARG 109 -0.412 -31.191 12.931 1.00 31.10 ATOM 1801 NH1 ARG 109 0.493 -30.339 12.471 1.00 44.21 ATOM 1802 HH11 ARG 109 1.462 -30.459 12.635 1.00 62.32 ATOM 1803 HH12 ARG 109 0.194 -29.580 11.913 1.00 62.03 ATOM 1804 NH2 ARG 109 -1.701 -30.968 12.708 1.00 42.42 ATOM 1805 HH21 ARG 109 -2.390 -31.609 13.053 1.00 53.01 ATOM 1806 HH22 ARG 109 -1.991 -30.158 12.194 1.00 52.32 ATOM 1807 C ARG 109 1.825 -34.098 9.959 1.00 11.54 ATOM 1808 O ARG 109 1.490 -35.272 10.120 1.00 11.33 ATOM 1809 N THR 110 1.107 -33.232 9.250 1.00 62.22 ATOM 1810 HN THR 110 1.419 -32.301 9.159 1.00 37.46 ATOM 1811 CA THR 110 -0.142 -33.621 8.607 1.00 1.23 ATOM 1812 HA THR 110 -0.783 -34.074 9.354 1.00 24.22 ATOM 1813 CB THR 110 -0.878 -32.399 8.025 1.00 62.32 ATOM 1814 HB THR 110 -0.220 -31.896 7.330 1.00 73.13 ATOM 1815 OG1 THR 110 -1.228 -31.491 9.075 1.00 24.44 ATOM 1816 HG1 THR 110 -0.464 -30.957 9.307 1.00 24.31 ATOM 1817 CG2 THR 110 -2.133 -32.828 7.280 1.00 63.34 ATOM 1818 HG21 THR 110 -1.866 -33.275 6.335 1.00 64.11 ATOM 1819 HG22 THR 110 -2.750 -31.960 7.098 1.00 33.55 ATOM 1820 HG23 THR 110 -2.691 -33.541 7.872 1.00 1.20 ATOM 1821 C THR 110 0.104 -34.631 7.492 1.00 4.33 ATOM 1822 O THR 110 -0.435 -35.737 7.515 1.00 50.42 ATOM 1823 N GLN 111 0.922 -34.243 6.519 1.00 3.01 ATOM 1824 HN GLN 111 1.351 -33.356 6.581 1.00 37.46 ATOM 1825 CA GLN 111 1.239 -35.116 5.395 1.00 24.12 ATOM 1826 HA GLN 111 0.325 -35.315 4.858 1.00 3.32 ATOM 1827 CB GLN 111 2.237 -34.434 4.457 1.00 11.35 ATOM 1828 HB1 GLN 111 2.741 -35.182 3.857 1.00 37.46 ATOM 1829 HB2 GLN 111 2.974 -33.908 5.047 1.00 0.24 ATOM 1830 CG GLN 111 1.594 -33.439 3.505 1.00 53.12 ATOM 1831 HG1 GLN 111 1.071 -33.988 2.749 1.00 37.46 ATOM 1832 HG2 GLN 111 2.367 -32.840 3.048 1.00 35.03 ATOM 1833 CD GLN 111 0.609 -32.518 4.199 1.00 25.53 ATOM 1834 OE1 GLN 111 1.002 -31.555 4.859 1.00 74.42 ATOM 1835 NE2 GLN 111 -0.678 -32.810 4.054 1.00 22.23 ATOM 1836 HE21 GLN 111 -0.936 -33.594 3.518 1.00 5.14 ATOM 1837 HE22 GLN 111 -1.329 -32.221 4.489 1.00 44.40 ATOM 1838 C GLN 111 1.808 -36.445 5.882 1.00 61.03 ATOM 1839 O GLN 111 1.579 -37.490 5.272 1.00 44.00 ATOM 1840 N TYR 112 2.550 -36.398 6.983 1.00 52.44 ATOM 1841 HN TYR 112 2.712 -35.534 7.428 1.00 37.46 ATOM 1842 CA TYR 112 3.154 -37.598 7.550 1.00 52.55 ATOM 1843 HA TYR 112 3.589 -38.177 6.744 1.00 52.24 ATOM 1844 CB TYR 112 4.264 -37.220 8.532 1.00 52.22 ATOM 1845 HB1 TYR 112 3.872 -36.502 9.240 1.00 37.46 ATOM 1846 HB2 TYR 112 5.077 -36.761 7.985 1.00 72.15 ATOM 1847 CG TYR 112 4.810 -38.396 9.310 1.00 41.25 ATOM 1848 CD1 TYR 112 4.204 -38.818 10.486 1.00 10.23 ATOM 1849 HD1 TYR 112 3.335 -38.294 10.852 1.00 63.10 ATOM 1850 CD2 TYR 112 5.932 -39.086 8.867 1.00 41.43 ATOM 1851 HD2 TYR 112 6.415 -38.785 7.969 1.00 71.03 ATOM 1852 CE1 TYR 112 4.700 -39.891 11.200 1.00 23.13 ATOM 1853 HE1 TYR 112 4.215 -40.210 12.102 1.00 4.34 ATOM 1854 CE2 TYR 112 6.434 -40.161 9.573 1.00 25.15 ATOM 1855 HE2 TYR 112 7.303 -40.680 9.211 1.00 12.25 ATOM 1856 CZ TYR 112 5.815 -40.560 10.740 1.00 44.41 ATOM 1857 OH TYR 112 6.312 -41.630 11.447 1.00 20.35 ATOM 1858 HH TYR 112 5.892 -42.436 11.139 1.00 23.52 ATOM 1859 C TYR 112 2.106 -38.454 8.254 1.00 70.24 ATOM 1860 O TYR 112 1.906 -39.618 7.908 1.00 30.32 ATOM 1861 N MET 113 1.440 -37.868 9.243 1.00 75.12 ATOM 1862 HN MET 113 1.648 -36.933 9.475 1.00 37.46 ATOM 1863 CA MET 113 0.410 -38.576 9.995 1.00 24.32 ATOM 1864 HA MET 113 0.871 -39.423 10.473 1.00 14.23 ATOM 1865 CB MET 113 -0.182 -37.665 11.072 1.00 22.43 ATOM 1866 HB1 MET 113 -0.843 -36.947 10.600 1.00 37.46 ATOM 1867 HB2 MET 113 0.626 -37.127 11.549 1.00 33.11 ATOM 1868 CG MET 113 -0.943 -38.417 12.152 1.00 13.32 ATOM 1869 HG1 MET 113 -0.272 -38.678 12.943 1.00 37.46 ATOM 1870 HG2 MET 113 -1.365 -39.321 11.738 1.00 0.03 ATOM 1871 SD MET 113 -2.294 -37.448 12.852 1.00 62.04 ATOM 1872 CE MET 113 -1.450 -35.914 13.228 1.00 11.42 ATOM 1873 HE1 MET 113 -0.551 -36.126 13.787 1.00 52.44 ATOM 1874 HE2 MET 113 -2.099 -35.282 13.816 1.00 61.50 ATOM 1875 HE3 MET 113 -1.193 -35.408 12.309 1.00 31.41 ATOM 1876 C MET 113 -0.695 -39.073 9.069 1.00 31.31 ATOM 1877 O MET 113 -1.439 -39.993 9.411 1.00 40.11 ATOM 1878 N LYS 114 -0.798 -38.459 7.895 1.00 22.51 ATOM 1879 HN LYS 114 -0.235 -37.682 7.696 1.00 37.46 ATOM 1880 CA LYS 114 -1.812 -38.840 6.919 1.00 44.44 ATOM 1881 HA LYS 114 -2.783 -38.750 7.392 1.00 55.23 ATOM 1882 CB LYS 114 -1.749 -37.914 5.701 1.00 12.05 ATOM 1883 HB1 LYS 114 -1.941 -38.491 4.805 1.00 37.46 ATOM 1884 HB2 LYS 114 -0.763 -37.487 5.627 1.00 10.22 ATOM 1885 CG LYS 114 -2.753 -36.775 5.751 1.00 32.33 ATOM 1886 HG1 LYS 114 -2.545 -36.155 6.606 1.00 37.46 ATOM 1887 HG2 LYS 114 -3.748 -37.189 5.848 1.00 70.31 ATOM 1888 CD LYS 114 -2.691 -35.922 4.495 1.00 34.15 ATOM 1889 HD1 LYS 114 -1.676 -35.599 4.328 1.00 37.46 ATOM 1890 HD2 LYS 114 -3.322 -35.056 4.638 1.00 72.03 ATOM 1891 CE LYS 114 -3.173 -36.691 3.275 1.00 73.11 ATOM 1892 HE1 LYS 114 -3.877 -37.458 3.577 1.00 37.46 ATOM 1893 HE2 LYS 114 -2.324 -37.154 2.803 1.00 14.31 ATOM 1894 NZ LYS 114 -3.841 -35.800 2.286 1.00 61.11 ATOM 1895 HZ1 LYS 114 -4.157 -36.356 1.465 1.00 23.53 ATOM 1896 HZ2 LYS 114 -3.181 -35.066 1.956 1.00 11.12 ATOM 1897 HZ3 LYS 114 -4.670 -35.339 2.716 1.00 44.11 ATOM 1898 C LYS 114 -1.627 -40.288 6.479 1.00 70.44 ATOM 1899 O LYS 114 -2.568 -41.081 6.509 1.00 35.33 ATOM 1900 N TYR 115 -0.409 -40.627 6.071 1.00 30.41 ATOM 1901 HN TYR 115 0.313 -39.955 6.077 1.00 37.46 ATOM 1902 CA TYR 115 -0.102 -41.981 5.624 1.00 3.12 ATOM 1903 HA TYR 115 -1.025 -42.527 5.470 1.00 14.51 ATOM 1904 CB TYR 115 0.656 -41.942 4.296 1.00 72.11 ATOM 1905 HB1 TYR 115 0.764 -42.935 3.908 1.00 37.46 ATOM 1906 HB2 TYR 115 1.648 -41.538 4.473 1.00 21.14 ATOM 1907 CG TYR 115 -0.006 -41.078 3.246 1.00 21.03 ATOM 1908 CD1 TYR 115 -0.903 -41.622 2.335 1.00 2.50 ATOM 1909 HD1 TYR 115 -1.130 -42.673 2.377 1.00 44.11 ATOM 1910 CD2 TYR 115 0.265 -39.718 3.167 1.00 41.52 ATOM 1911 HD2 TYR 115 0.959 -39.281 3.863 1.00 55.33 ATOM 1912 CE1 TYR 115 -1.509 -40.836 1.374 1.00 0.11 ATOM 1913 HE1 TYR 115 -2.204 -41.277 0.675 1.00 30.00 ATOM 1914 CE2 TYR 115 -0.338 -38.924 2.210 1.00 4.21 ATOM 1915 HE2 TYR 115 -0.115 -37.869 2.166 1.00 71.13 ATOM 1916 CZ TYR 115 -1.223 -39.488 1.316 1.00 54.33 ATOM 1917 OH TYR 115 -1.826 -38.701 0.361 1.00 73.41 ATOM 1918 HH TYR 115 -2.750 -38.561 0.589 1.00 73.20 ATOM 1919 C TYR 115 0.721 -42.726 6.670 1.00 22.43 ATOM 1920 O TYR 115 0.365 -43.829 7.088 1.00 15.12 ATOM 1921 N LEU 116 1.824 -42.117 7.090 1.00 3.31 ATOM 1922 HN LEU 116 2.052 -41.226 6.729 1.00 37.46 ATOM 1923 CA LEU 116 2.700 -42.721 8.089 1.00 54.24 ATOM 1924 HA LEU 116 2.716 -43.793 7.922 1.00 22.23 ATOM 1925 CB LEU 116 4.126 -42.190 7.933 1.00 70.53 ATOM 1926 HB1 LEU 116 4.748 -42.642 8.697 1.00 37.46 ATOM 1927 HB2 LEU 116 4.098 -41.120 8.111 1.00 13.23 ATOM 1928 CG LEU 116 4.786 -42.428 6.574 1.00 32.51 ATOM 1929 HG LEU 116 4.119 -42.093 5.793 1.00 65.53 ATOM 1930 CD1 LEU 116 6.076 -41.632 6.460 1.00 2.44 ATOM 1931 HD11 LEU 116 6.743 -41.899 7.264 1.00 64.43 ATOM 1932 HD12 LEU 116 5.852 -40.576 6.519 1.00 24.25 ATOM 1933 HD13 LEU 116 6.553 -41.840 5.511 1.00 62.30 ATOM 1934 CD2 LEU 116 5.052 -43.912 6.363 1.00 5.32 ATOM 1935 HD21 LEU 116 4.120 -44.448 6.400 1.00 10.30 ATOM 1936 HD22 LEU 116 5.710 -44.281 7.138 1.00 42.12 ATOM 1937 HD23 LEU 116 5.513 -44.066 5.397 1.00 10.23 ATOM 1938 C LEU 116 2.192 -42.440 9.499 1.00 32.02 ATOM 1939 O LEU 116 2.034 -41.285 9.895 1.00 40.34 ATOM 1940 N TYR 117 1.940 -43.504 10.254 1.00 13.50 ATOM 1941 HN TYR 117 2.153 -44.402 9.904 1.00 37.46 ATOM 1942 CA TYR 117 1.450 -43.372 11.621 1.00 54.30 ATOM 1943 HA TYR 117 2.214 -42.878 12.204 1.00 1.20 ATOM 1944 CB TYR 117 0.177 -42.523 11.649 1.00 22.33 ATOM 1945 HB1 TYR 117 -0.367 -42.613 10.724 1.00 37.46 ATOM 1946 HB2 TYR 117 0.473 -41.489 11.766 1.00 32.54 ATOM 1947 CG TYR 117 -0.739 -42.844 12.809 1.00 43.01 ATOM 1948 CD1 TYR 117 -2.071 -43.176 12.596 1.00 52.51 ATOM 1949 HD1 TYR 117 -2.458 -43.198 11.588 1.00 33.14 ATOM 1950 CD2 TYR 117 -0.272 -42.814 14.117 1.00 32.42 ATOM 1951 HD2 TYR 117 0.762 -42.557 14.304 1.00 65.13 ATOM 1952 CE1 TYR 117 -2.912 -43.469 13.652 1.00 0.52 ATOM 1953 HE1 TYR 117 -3.944 -43.725 13.465 1.00 61.33 ATOM 1954 CE2 TYR 117 -1.105 -43.107 15.179 1.00 33.54 ATOM 1955 HE2 TYR 117 -0.722 -43.079 16.189 1.00 2.34 ATOM 1956 CZ TYR 117 -2.424 -43.434 14.942 1.00 53.31 ATOM 1957 OH TYR 117 -3.258 -43.725 15.997 1.00 2.24 ATOM 1958 HH TYR 117 -3.436 -44.670 16.022 1.00 0.34 ATOM 1959 C TYR 117 1.175 -44.741 12.236 1.00 43.23 ATOM 1960 O TYR 117 1.735 -45.110 13.268 1.00 11.35 ATOM 1961 N PRO 118 0.293 -45.514 11.586 1.00 53.13 ATOM 1962 CA PRO 118 -0.076 -46.855 12.048 1.00 33.13 ATOM 1963 HA PRO 118 -0.405 -46.843 13.077 1.00 34.31 ATOM 1964 CB PRO 118 -1.248 -47.234 11.140 1.00 54.35 ATOM 1965 HB1 PRO 118 -2.161 -46.957 11.630 1.00 37.46 ATOM 1966 HB2 PRO 118 -1.260 -48.295 10.936 1.00 54.12 ATOM 1967 CG PRO 118 -1.045 -46.428 9.903 1.00 1.12 ATOM 1968 HG1 PRO 118 -1.992 -46.231 9.428 1.00 37.46 ATOM 1969 HG2 PRO 118 -0.387 -46.953 9.226 1.00 35.23 ATOM 1970 CD PRO 118 -0.413 -45.138 10.349 1.00 64.43 ATOM 1971 HD1 PRO 118 -1.184 -44.429 10.527 1.00 37.46 ATOM 1972 HD2 PRO 118 0.248 -44.792 9.584 1.00 44.25 ATOM 1973 C PRO 118 1.064 -47.856 11.893 1.00 55.05 ATOM 1974 O PRO 118 1.153 -48.831 12.639 1.00 0.34 ATOM 1975 N TYR 119 1.932 -47.609 10.919 1.00 45.13 ATOM 1976 HN TYR 119 1.810 -46.819 10.343 1.00 37.46 ATOM 1977 CA TYR 119 3.066 -48.490 10.664 1.00 31.11 ATOM 1978 HA TYR 119 2.703 -49.507 10.616 1.00 4.44 ATOM 1979 CB TYR 119 3.727 -48.134 9.331 1.00 14.54 ATOM 1980 HB1 TYR 119 4.277 -47.205 9.436 1.00 37.46 ATOM 1981 HB2 TYR 119 2.952 -47.991 8.588 1.00 53.22 ATOM 1982 CG TYR 119 4.672 -49.197 8.820 1.00 30.25 ATOM 1983 CD1 TYR 119 6.034 -49.129 9.085 1.00 4.52 ATOM 1984 HD1 TYR 119 6.413 -48.310 9.664 1.00 64.12 ATOM 1985 CD2 TYR 119 4.203 -50.270 8.072 1.00 24.14 ATOM 1986 HD2 TYR 119 3.156 -50.340 7.850 1.00 53.24 ATOM 1987 CE1 TYR 119 6.902 -50.098 8.620 1.00 1.40 ATOM 1988 HE1 TYR 119 7.957 -50.027 8.837 1.00 21.22 ATOM 1989 CE2 TYR 119 5.064 -51.244 7.604 1.00 34.45 ATOM 1990 HE2 TYR 119 4.680 -52.071 7.025 1.00 20.20 ATOM 1991 CZ TYR 119 6.412 -51.154 7.881 1.00 51.34 ATOM 1992 OH TYR 119 7.272 -52.122 7.415 1.00 42.50 ATOM 1993 HH TYR 119 7.560 -52.681 8.143 1.00 33.12 ATOM 1994 C TYR 119 4.089 -48.401 11.792 1.00 45.11 ATOM 1995 O TYR 119 4.551 -49.419 12.307 1.00 11.41 ATOM 1996 N GLU 120 4.439 -47.175 12.170 1.00 74.11 ATOM 1997 HN GLU 120 4.034 -46.395 11.720 1.00 37.46 ATOM 1998 CA GLU 120 5.408 -46.952 13.237 1.00 75.35 ATOM 1999 HA GLU 120 6.270 -47.581 13.052 1.00 51.13 ATOM 2000 CB GLU 120 5.862 -45.491 13.246 1.00 31.20 ATOM 2001 HB1 GLU 120 6.174 -45.214 12.254 1.00 37.46 ATOM 2002 HB2 GLU 120 6.702 -45.393 13.919 1.00 44.25 ATOM 2003 CG GLU 120 4.779 -44.520 13.684 1.00 12.12 ATOM 2004 HG1 GLU 120 4.435 -44.775 14.672 1.00 37.46 ATOM 2005 HG2 GLU 120 3.965 -44.581 12.989 1.00 12.13 ATOM 2006 CD GLU 120 5.263 -43.083 13.721 1.00 63.53 ATOM 2007 OE1 GLU 120 4.416 -42.170 13.639 1.00 53.14 ATOM 2008 OE2 GLU 120 6.489 -42.873 13.831 1.00 1.20 ATOM 2009 C GLU 120 4.817 -47.321 14.594 1.00 33.52 ATOM 2010 O GLU 120 5.518 -47.827 15.471 1.00 31.14 ATOM 2011 N CYS 121 3.524 -47.065 14.759 1.00 10.35 ATOM 2012 HN CYS 121 3.010 -46.652 14.026 1.00 37.46 ATOM 2013 CA CYS 121 2.838 -47.368 16.010 1.00 30.34 ATOM 2014 HA CYS 121 3.454 -47.001 16.817 1.00 72.24 ATOM 2015 CB CYS 121 1.482 -46.662 16.057 1.00 23.03 ATOM 2016 HB1 CYS 121 0.773 -47.184 15.427 1.00 37.46 ATOM 2017 HB2 CYS 121 1.600 -45.653 15.689 1.00 30.24 ATOM 2018 SG CYS 121 0.768 -46.545 17.714 1.00 34.20 ATOM 2019 HG CYS 121 -0.551 -46.541 17.591 1.00 62.31 ATOM 2020 C CYS 121 2.647 -48.873 16.175 1.00 43.43 ATOM 2021 O CYS 121 2.706 -49.397 17.286 1.00 32.13 ATOM 2022 N GLU 122 2.417 -49.560 15.060 1.00 24.13 ATOM 2023 HN GLU 122 2.376 -49.091 14.194 1.00 37.46 ATOM 2024 CA GLU 122 2.215 -51.004 15.082 1.00 24.03 ATOM 2025 HA GLU 122 1.651 -51.257 15.973 1.00 43.11 ATOM 2026 CB GLU 122 1.418 -51.448 13.855 1.00 75.44 ATOM 2027 HB1 GLU 122 2.023 -51.316 12.968 1.00 37.46 ATOM 2028 HB2 GLU 122 0.539 -50.824 13.770 1.00 23.51 ATOM 2029 CG GLU 122 0.967 -52.898 13.914 1.00 72.32 ATOM 2030 HG1 GLU 122 1.794 -53.527 14.211 1.00 37.46 ATOM 2031 HG2 GLU 122 0.638 -53.191 12.928 1.00 75.21 ATOM 2032 CD GLU 122 -0.183 -53.113 14.879 1.00 50.21 ATOM 2033 OE1 GLU 122 -1.241 -52.476 14.691 1.00 2.44 ATOM 2034 OE2 GLU 122 -0.025 -53.917 15.821 1.00 15.10 ATOM 2035 C GLU 122 3.552 -51.740 15.128 1.00 53.34 ATOM 2036 O GLU 122 3.771 -52.601 15.979 1.00 32.42 ATOM 2037 N LYS 123 4.442 -51.394 14.204 1.00 3.32 ATOM 2038 HN LYS 123 4.207 -50.696 13.548 1.00 37.46 ATOM 2039 CA LYS 123 5.758 -52.019 14.137 1.00 32.01 ATOM 2040 HA LYS 123 5.620 -53.089 14.068 1.00 24.21 ATOM 2041 CB LYS 123 6.515 -51.530 12.901 1.00 43.33 ATOM 2042 HB1 LYS 123 7.542 -51.877 12.952 1.00 37.46 ATOM 2043 HB2 LYS 123 6.522 -50.454 12.901 1.00 0.32 ATOM 2044 CG LYS 123 5.917 -52.011 11.590 1.00 34.45 ATOM 2045 HG1 LYS 123 6.328 -51.423 10.794 1.00 37.46 ATOM 2046 HG2 LYS 123 4.843 -51.874 11.619 1.00 22.02 ATOM 2047 CD LYS 123 6.238 -53.474 11.335 1.00 32.41 ATOM 2048 HD1 LYS 123 6.088 -54.046 12.241 1.00 37.46 ATOM 2049 HD2 LYS 123 7.268 -53.556 11.025 1.00 33.43 ATOM 2050 CE LYS 123 5.352 -54.057 10.245 1.00 70.42 ATOM 2051 HE1 LYS 123 5.277 -53.351 9.426 1.00 37.46 ATOM 2052 HE2 LYS 123 4.369 -54.235 10.655 1.00 34.43 ATOM 2053 NZ LYS 123 5.893 -55.341 9.717 1.00 2.44 ATOM 2054 HZ1 LYS 123 6.840 -55.195 9.309 1.00 11.03 ATOM 2055 HZ2 LYS 123 5.266 -55.712 8.975 1.00 61.20 ATOM 2056 HZ3 LYS 123 5.959 -56.047 10.480 1.00 54.52 ATOM 2057 C LYS 123 6.568 -51.719 15.394 1.00 13.23 ATOM 2058 O LYS 123 7.330 -52.561 15.869 1.00 70.03 ATOM 2059 N ARG 124 6.396 -50.515 15.930 1.00 41.53 ATOM 2060 HN ARG 124 5.787 -49.868 15.509 1.00 37.46 ATOM 2061 CA ARG 124 7.111 -50.104 17.132 1.00 22.11 ATOM 2062 HA ARG 124 7.727 -50.926 17.477 1.00 32.42 ATOM 2063 CB ARG 124 8.002 -48.897 16.834 1.00 3.12 ATOM 2064 HB1 ARG 124 7.891 -48.145 17.602 1.00 37.46 ATOM 2065 HB2 ARG 124 7.711 -48.464 15.890 1.00 53.14 ATOM 2066 CG ARG 124 9.479 -49.241 16.729 1.00 70.11 ATOM 2067 HG1 ARG 124 10.007 -48.383 16.339 1.00 37.46 ATOM 2068 HG2 ARG 124 9.600 -50.075 16.051 1.00 4.22 ATOM 2069 CD ARG 124 10.065 -49.603 18.085 1.00 73.23 ATOM 2070 HD1 ARG 124 9.299 -50.021 18.726 1.00 37.46 ATOM 2071 HD2 ARG 124 10.438 -48.692 18.528 1.00 11.35 ATOM 2072 NE ARG 124 11.155 -50.568 17.970 1.00 71.20 ATOM 2073 HE ARG 124 11.206 -51.111 17.149 1.00 73.33 ATOM 2074 CZ ARG 124 12.072 -50.756 18.912 1.00 21.22 ATOM 2075 NH1 ARG 124 12.030 -50.049 20.033 1.00 23.32 ATOM 2076 HH11 ARG 124 11.319 -49.371 20.199 1.00 25.43 ATOM 2077 HH12 ARG 124 12.730 -50.197 20.735 1.00 55.33 ATOM 2078 NH2 ARG 124 13.034 -51.653 18.734 1.00 35.34 ATOM 2079 HH21 ARG 124 13.071 -52.191 17.889 1.00 61.22 ATOM 2080 HH22 ARG 124 13.727 -51.796 19.443 1.00 43.11 ATOM 2081 C ARG 124 6.136 -49.765 18.256 1.00 52.15 ATOM 2082 O ARG 124 5.966 -50.537 19.198 1.00 32.10 ATOM 2083 N GLY 125 5.498 -48.603 18.148 1.00 74.41 ATOM 2084 HN GLY 125 5.640 -48.025 17.366 1.00 37.46 ATOM 2085 CA GLY 125 4.548 -48.182 19.161 1.00 20.02 ATOM 2086 HA1 GLY 125 4.141 -49.042 19.678 1.00 37.46 ATOM 2087 HA2 GLY 125 3.738 -47.662 18.683 1.00 11.25 ATOM 2088 C GLY 125 5.167 -47.250 20.184 1.00 51.22 ATOM 2089 O GLY 125 4.723 -47.192 21.331 1.00 23.45 ATOM 2090 N LEU 126 6.195 -46.519 19.769 1.00 4.51 ATOM 2091 HN LEU 126 6.463 -46.568 18.826 1.00 37.46 ATOM 2092 CA LEU 126 6.878 -45.585 20.658 1.00 2.20 ATOM 2093 HA LEU 126 7.387 -46.160 21.417 1.00 71.20 ATOM 2094 CB LEU 126 7.910 -44.769 19.878 1.00 65.24 ATOM 2095 HB1 LEU 126 8.517 -44.237 20.599 1.00 37.46 ATOM 2096 HB2 LEU 126 7.372 -44.029 19.292 1.00 2.13 ATOM 2097 CG LEU 126 8.825 -45.562 18.944 1.00 45.03 ATOM 2098 HG LEU 126 8.511 -46.591 18.892 1.00 50.12 ATOM 2099 CD1 LEU 126 8.771 -44.994 17.534 1.00 11.10 ATOM 2100 HD11 LEU 126 7.750 -45.005 17.178 1.00 70.04 ATOM 2101 HD12 LEU 126 9.380 -45.600 16.878 1.00 52.45 ATOM 2102 HD13 LEU 126 9.141 -43.983 17.526 1.00 12.11 ATOM 2103 CD2 LEU 126 10.254 -45.558 19.467 1.00 23.22 ATOM 2104 HD21 LEU 126 10.883 -46.142 18.809 1.00 44.51 ATOM 2105 HD22 LEU 126 10.278 -45.991 20.458 1.00 65.42 ATOM 2106 HD23 LEU 126 10.625 -44.543 19.510 1.00 70.02 ATOM 2107 C LEU 126 5.881 -44.650 21.335 1.00 23.05 ATOM 2108 O LEU 126 5.900 -44.485 22.555 1.00 34.42 ATOM 2109 N SER 127 5.011 -44.042 20.536 1.00 12.21 ATOM 2110 HN SER 127 5.033 -44.215 19.566 1.00 37.46 ATOM 2111 CA SER 127 4.007 -43.122 21.058 1.00 32.11 ATOM 2112 HA SER 127 4.208 -42.944 22.103 1.00 25.10 ATOM 2113 CB SER 127 4.077 -41.784 20.320 1.00 61.02 ATOM 2114 HB1 SER 127 3.685 -41.019 20.956 1.00 37.46 ATOM 2115 HB2 SER 127 3.499 -41.825 19.405 1.00 2.42 ATOM 2116 OG SER 127 5.415 -41.452 19.992 1.00 62.43 ATOM 2117 HG SER 127 5.675 -41.913 19.190 1.00 74.42 ATOM 2118 C SER 127 2.607 -43.715 20.928 1.00 40.13 ATOM 2119 O SER 127 2.366 -44.587 20.094 1.00 13.21 ATOM 2120 N ASN 128 1.688 -43.234 21.759 1.00 71.32 ATOM 2121 HN ASN 128 1.935 -42.544 22.386 1.00 37.46 ATOM 2122 CA ASN 128 0.312 -43.716 21.738 1.00 74.32 ATOM 2123 HA ASN 128 0.283 -44.642 21.178 1.00 45.51 ATOM 2124 CB ASN 128 -0.172 -44.002 23.161 1.00 74.12 ATOM 2125 HB1 ASN 128 -0.769 -44.900 23.153 1.00 37.46 ATOM 2126 HB2 ASN 128 -0.779 -43.182 23.526 1.00 35.51 ATOM 2127 CG ASN 128 0.974 -44.223 24.128 1.00 25.21 ATOM 2128 OD1 ASN 128 1.612 -45.277 24.123 1.00 54.55 ATOM 2129 ND2 ASN 128 1.242 -43.228 24.965 1.00 2.24 ATOM 2130 HD21 ASN 128 0.701 -42.407 24.926 1.00 13.20 ATOM 2131 HD22 ASN 128 1.980 -43.353 25.598 1.00 0.30 ATOM 2132 C ASN 128 -0.610 -42.701 21.069 1.00 12.25 ATOM 2133 O ASN 128 -0.299 -41.514 20.970 1.00 41.20 ATOM 2134 N PRO 129 -1.773 -43.176 20.600 1.00 33.54 ATOM 2135 CA PRO 129 -2.765 -42.327 19.934 1.00 11.15 ATOM 2136 HA PRO 129 -2.328 -41.773 19.115 1.00 51.21 ATOM 2137 CB PRO 129 -3.783 -43.331 19.389 1.00 72.13 ATOM 2138 HB1 PRO 129 -3.526 -43.580 18.375 1.00 37.46 ATOM 2139 HB2 PRO 129 -4.785 -42.920 19.415 1.00 72.45 ATOM 2140 CG PRO 129 -3.656 -44.520 20.277 1.00 33.13 ATOM 2141 HG1 PRO 129 -3.930 -45.414 19.736 1.00 37.46 ATOM 2142 HG2 PRO 129 -4.286 -44.398 21.146 1.00 64.53 ATOM 2143 CD PRO 129 -2.210 -44.580 20.684 1.00 30.35 ATOM 2144 HD1 PRO 129 -1.650 -45.202 20.000 1.00 37.46 ATOM 2145 HD2 PRO 129 -2.138 -44.960 21.683 1.00 73.23 ATOM 2146 C PRO 129 -3.438 -41.357 20.899 1.00 13.40 ATOM 2147 O PRO 129 -4.179 -40.467 20.483 1.00 51.11 ATOM 2148 N ASN 130 -3.175 -41.534 22.190 1.00 73.33 ATOM 2149 HN ASN 130 -2.612 -42.276 22.485 1.00 37.46 ATOM 2150 CA ASN 130 -3.756 -40.674 23.214 1.00 54.33 ATOM 2151 HA ASN 130 -4.731 -40.338 22.874 1.00 63.14 ATOM 2152 CB ASN 130 -3.922 -41.446 24.524 1.00 2.54 ATOM 2153 HB1 ASN 130 -3.840 -40.764 25.363 1.00 37.46 ATOM 2154 HB2 ASN 130 -3.142 -42.191 24.609 1.00 13.11 ATOM 2155 CG ASN 130 -5.270 -42.132 24.625 1.00 73.11 ATOM 2156 OD1 ASN 130 -6.286 -41.492 24.897 1.00 32.31 ATOM 2157 ND2 ASN 130 -5.285 -43.442 24.405 1.00 11.40 ATOM 2158 HD21 ASN 130 -4.443 -43.903 24.191 1.00 33.53 ATOM 2159 HD22 ASN 130 -6.147 -43.904 24.466 1.00 63.51 ATOM 2160 C ASN 130 -2.889 -39.439 23.443 1.00 34.53 ATOM 2161 O ASN 130 -3.398 -38.326 23.564 1.00 14.32 ATOM 2162 N GLU 131 -1.578 -39.647 23.501 1.00 4.14 ATOM 2163 HN GLU 131 -1.238 -40.565 23.418 1.00 37.46 ATOM 2164 CA GLU 131 -0.640 -38.551 23.717 1.00 54.34 ATOM 2165 HA GLU 131 -1.003 -37.947 24.540 1.00 73.34 ATOM 2166 CB GLU 131 0.741 -39.096 24.085 1.00 31.22 ATOM 2167 HB1 GLU 131 0.656 -39.657 25.005 1.00 37.46 ATOM 2168 HB2 GLU 131 1.416 -38.264 24.245 1.00 34.40 ATOM 2169 CG GLU 131 1.336 -40.010 23.027 1.00 25.04 ATOM 2170 HG1 GLU 131 1.330 -39.516 22.078 1.00 37.46 ATOM 2171 HG2 GLU 131 0.739 -40.899 22.974 1.00 61.34 ATOM 2172 CD GLU 131 2.762 -40.417 23.344 1.00 24.31 ATOM 2173 OE1 GLU 131 3.000 -41.622 23.569 1.00 71.45 ATOM 2174 OE2 GLU 131 3.641 -39.530 23.367 1.00 11.12 ATOM 2175 C GLU 131 -0.537 -37.671 22.474 1.00 70.43 ATOM 2176 O GLU 131 -0.354 -36.457 22.572 1.00 62.23 ATOM 2177 N LEU 132 -0.655 -38.293 21.305 1.00 11.55 ATOM 2178 HN LEU 132 -0.776 -39.271 21.282 1.00 37.46 ATOM 2179 CA LEU 132 -0.575 -37.568 20.042 1.00 4.20 ATOM 2180 HA LEU 132 0.430 -37.199 19.936 1.00 41.23 ATOM 2181 CB LEU 132 -0.897 -38.502 18.874 1.00 12.32 ATOM 2182 HB1 LEU 132 -1.875 -38.930 19.054 1.00 37.46 ATOM 2183 HB2 LEU 132 -0.171 -39.305 18.880 1.00 60.41 ATOM 2184 CG LEU 132 -0.901 -37.863 17.485 1.00 3.30 ATOM 2185 HG LEU 132 -1.623 -37.073 17.466 1.00 0.31 ATOM 2186 CD1 LEU 132 0.468 -37.284 17.160 1.00 33.31 ATOM 2187 HD11 LEU 132 0.737 -36.537 17.892 1.00 10.54 ATOM 2188 HD12 LEU 132 0.440 -36.823 16.182 1.00 21.32 ATOM 2189 HD13 LEU 132 1.208 -38.072 17.160 1.00 52.11 ATOM 2190 CD2 LEU 132 -1.316 -38.879 16.432 1.00 60.35 ATOM 2191 HD21 LEU 132 -2.308 -39.248 16.655 1.00 1.03 ATOM 2192 HD22 LEU 132 -0.619 -39.706 16.427 1.00 21.21 ATOM 2193 HD23 LEU 132 -1.322 -38.411 15.460 1.00 14.43 ATOM 2194 C LEU 132 -1.529 -36.378 20.035 1.00 10.11 ATOM 2195 O LEU 132 -1.124 -35.247 19.767 1.00 63.44 ATOM 2196 N GLN 133 -2.797 -36.641 20.334 1.00 70.20 ATOM 2197 HN GLN 133 -3.061 -37.570 20.538 1.00 37.46 ATOM 2198 CA GLN 133 -3.808 -35.591 20.363 1.00 33.24 ATOM 2199 HA GLN 133 -3.912 -35.220 19.357 1.00 54.30 ATOM 2200 CB GLN 133 -5.146 -36.156 20.844 1.00 53.12 ATOM 2201 HB1 GLN 133 -5.100 -36.330 21.912 1.00 37.46 ATOM 2202 HB2 GLN 133 -5.322 -37.103 20.350 1.00 54.45 ATOM 2203 CG GLN 133 -6.329 -35.243 20.561 1.00 24.03 ATOM 2204 HG1 GLN 133 -6.126 -34.264 20.974 1.00 37.46 ATOM 2205 HG2 GLN 133 -7.204 -35.657 21.041 1.00 12.41 ATOM 2206 CD GLN 133 -6.617 -35.104 19.080 1.00 54.33 ATOM 2207 OE1 GLN 133 -7.418 -35.852 18.518 1.00 23.53 ATOM 2208 NE2 GLN 133 -5.966 -34.142 18.437 1.00 4.41 ATOM 2209 HE21 GLN 133 -5.338 -33.572 18.936 1.00 71.01 ATOM 2210 HE22 GLN 133 -6.139 -34.037 17.478 1.00 55.31 ATOM 2211 C GLN 133 -3.374 -34.442 21.267 1.00 21.23 ATOM 2212 O GLN 133 -3.434 -33.276 20.878 1.00 64.53 ATOM 2213 N ALA 134 -2.937 -34.780 22.476 1.00 12.43 ATOM 2214 HN ALA 134 -2.915 -35.733 22.734 1.00 37.46 ATOM 2215 CA ALA 134 -2.491 -33.776 23.435 1.00 72.20 ATOM 2216 HA ALA 134 -3.307 -33.087 23.608 1.00 14.40 ATOM 2217 CB ALA 134 -2.143 -34.433 24.763 1.00 54.32 ATOM 2218 HB1 ALA 134 -1.868 -33.675 25.484 1.00 3.43 ATOM 2219 HB2 ALA 134 -1.317 -35.117 24.626 1.00 40.21 ATOM 2220 HB3 ALA 134 -3.001 -34.978 25.127 1.00 33.15 ATOM 2221 C ALA 134 -1.295 -32.998 22.898 1.00 10.52 ATOM 2222 O ALA 134 -1.175 -31.794 23.123 1.00 43.30 ATOM 2223 N ALA 135 -0.412 -33.693 22.189 1.00 54.15 ATOM 2224 HN ALA 135 -0.549 -34.660 22.053 1.00 37.46 ATOM 2225 CA ALA 135 0.774 -33.066 21.619 1.00 52.12 ATOM 2226 HA ALA 135 1.342 -32.620 22.425 1.00 41.41 ATOM 2227 CB ALA 135 1.653 -34.111 20.949 1.00 61.32 ATOM 2228 HB1 ALA 135 1.876 -34.897 21.656 1.00 3.32 ATOM 2229 HB2 ALA 135 2.575 -33.652 20.623 1.00 13.11 ATOM 2230 HB3 ALA 135 1.143 -34.531 20.096 1.00 65.15 ATOM 2231 C ALA 135 0.394 -31.975 20.623 1.00 13.05 ATOM 2232 O ALA 135 0.896 -30.853 20.696 1.00 23.21 ATOM 2233 N ILE 136 -0.495 -32.311 19.695 1.00 72.41 ATOM 2234 HN ILE 136 -0.863 -33.227 19.687 1.00 37.46 ATOM 2235 CA ILE 136 -0.942 -31.360 18.686 1.00 51.54 ATOM 2236 HA ILE 136 -0.069 -30.979 18.167 1.00 21.12 ATOM 2237 CB ILE 136 -1.866 -32.028 17.651 1.00 34.51 ATOM 2238 HB ILE 136 -2.703 -32.457 18.184 1.00 53.20 ATOM 2239 CG1 ILE 136 -1.111 -33.119 16.889 1.00 25.13 ATOM 2240 HG11 ILE 136 -0.087 -33.179 17.237 1.00 37.46 ATOM 2241 HG12 ILE 136 -1.102 -32.892 15.842 1.00 50.51 ATOM 2242 CG2 ILE 136 -2.422 -30.990 16.688 1.00 73.31 ATOM 2243 HG21 ILE 136 -3.149 -30.371 17.192 1.00 40.32 ATOM 2244 HG22 ILE 136 -2.907 -31.486 15.857 1.00 10.42 ATOM 2245 HG23 ILE 136 -1.621 -30.369 16.310 1.00 50.42 ATOM 2246 CD1 ILE 136 -1.721 -34.495 17.040 1.00 40.14 ATOM 2247 HD11 ILE 136 -2.484 -34.505 17.807 1.00 13.45 ATOM 2248 HD12 ILE 136 -0.945 -35.168 17.314 1.00 4.51 ATOM 2249 HD13 ILE 136 -2.151 -34.806 16.099 1.00 24.31 ATOM 2250 C ILE 136 -1.677 -30.186 19.324 1.00 74.01 ATOM 2251 O ILE 136 -1.362 -29.025 19.061 1.00 23.42 ATOM 2252 N ASP 137 -2.658 -30.496 20.165 1.00 70.33 ATOM 2253 HN ASP 137 -2.869 -31.447 20.330 1.00 37.46 ATOM 2254 CA ASP 137 -3.437 -29.468 20.844 1.00 51.52 ATOM 2255 HA ASP 137 -4.018 -28.945 20.099 1.00 11.35 ATOM 2256 CB ASP 137 -4.389 -30.104 21.857 1.00 30.54 ATOM 2257 HB1 ASP 137 -3.842 -30.816 22.458 1.00 37.46 ATOM 2258 HB2 ASP 137 -5.177 -30.618 21.327 1.00 1.23 ATOM 2259 CG ASP 137 -5.022 -29.081 22.779 1.00 33.14 ATOM 2260 OD1 ASP 137 -5.445 -28.016 22.283 1.00 45.51 ATOM 2261 OD2 ASP 137 -5.096 -29.346 23.997 1.00 14.03 ATOM 2262 C ASP 137 -2.523 -28.468 21.545 1.00 42.53 ATOM 2263 O ASP 137 -2.683 -27.256 21.398 1.00 53.11 ATOM 2264 N SER 138 -1.564 -28.983 22.308 1.00 73.55 ATOM 2265 HN SER 138 -1.487 -29.964 22.390 1.00 37.46 ATOM 2266 CA SER 138 -0.627 -28.136 23.035 1.00 13.24 ATOM 2267 HA SER 138 -1.191 -27.537 23.737 1.00 52.41 ATOM 2268 CB SER 138 0.373 -28.995 23.812 1.00 40.54 ATOM 2269 HB1 SER 138 1.265 -28.420 24.032 1.00 37.46 ATOM 2270 HB2 SER 138 0.645 -29.859 23.223 1.00 33.41 ATOM 2271 OG SER 138 -0.180 -29.437 25.039 1.00 23.40 ATOM 2272 HG SER 138 -0.749 -30.195 24.883 1.00 2.34 ATOM 2273 C SER 138 0.116 -27.205 22.082 1.00 3.03 ATOM 2274 O SER 138 0.526 -26.109 22.462 1.00 40.22 ATOM 2275 N ASN 139 0.287 -27.651 20.842 1.00 35.30 ATOM 2276 HN ASN 139 -0.016 -28.549 20.601 1.00 37.46 ATOM 2277 CA ASN 139 0.981 -26.859 19.833 1.00 23.54 ATOM 2278 HA ASN 139 1.806 -26.341 20.312 1.00 11.21 ATOM 2279 CB ASN 139 1.527 -27.767 18.729 1.00 33.21 ATOM 2280 HB1 ASN 139 1.500 -27.250 17.777 1.00 37.46 ATOM 2281 HB2 ASN 139 0.929 -28.659 18.653 1.00 2.14 ATOM 2282 CG ASN 139 2.963 -28.185 18.981 1.00 53.03 ATOM 2283 OD1 ASN 139 3.892 -27.643 18.383 1.00 64.34 ATOM 2284 ND2 ASN 139 3.150 -29.154 19.870 1.00 53.43 ATOM 2285 HD21 ASN 139 2.369 -29.551 20.318 1.00 30.24 ATOM 2286 HD22 ASN 139 4.071 -29.438 20.047 1.00 1.21 ATOM 2287 C ASN 139 0.052 -25.809 19.232 1.00 65.35 ATOM 2288 O ASN 139 0.458 -24.672 18.990 1.00 63.42 ATOM 2289 N ARG 140 -1.196 -26.198 18.993 1.00 64.44 ATOM 2290 HN ARG 140 -1.467 -27.116 19.229 1.00 37.46 ATOM 2291 CA ARG 140 -2.182 -25.291 18.419 1.00 71.34 ATOM 2292 HA ARG 140 -1.752 -24.834 17.537 1.00 52.33 ATOM 2293 CB ARG 140 -3.437 -26.063 18.007 1.00 51.13 ATOM 2294 HB1 ARG 140 -4.045 -25.415 17.390 1.00 37.46 ATOM 2295 HB2 ARG 140 -3.998 -26.329 18.896 1.00 42.32 ATOM 2296 CG ARG 140 -3.141 -27.346 17.247 1.00 54.31 ATOM 2297 HG1 ARG 140 -3.252 -28.178 17.923 1.00 37.46 ATOM 2298 HG2 ARG 140 -2.132 -27.327 16.856 1.00 13.34 ATOM 2299 CD ARG 140 -4.105 -27.541 16.087 1.00 14.10 ATOM 2300 HD1 ARG 140 -3.745 -28.377 15.505 1.00 37.46 ATOM 2301 HD2 ARG 140 -4.114 -26.651 15.472 1.00 31.34 ATOM 2302 NE ARG 140 -5.463 -27.825 16.545 1.00 24.02 ATOM 2303 HE ARG 140 -5.695 -27.590 17.474 1.00 1.45 ATOM 2304 CZ ARG 140 -6.398 -28.374 15.778 1.00 44.14 ATOM 2305 NH1 ARG 140 -6.123 -28.696 14.521 1.00 33.42 ATOM 2306 HH11 ARG 140 -5.224 -28.534 14.123 1.00 15.13 ATOM 2307 HH12 ARG 140 -6.835 -29.113 13.952 1.00 42.33 ATOM 2308 NH2 ARG 140 -7.610 -28.602 16.267 1.00 42.32 ATOM 2309 HH21 ARG 140 -7.824 -28.361 17.216 1.00 72.14 ATOM 2310 HH22 ARG 140 -8.317 -29.016 15.690 1.00 43.55 ATOM 2311 C ARG 140 -2.551 -24.191 19.410 1.00 63.32 ATOM 2312 O ARG 140 -2.817 -23.054 19.020 1.00 72.43 ATOM 2313 N ARG 141 -2.564 -24.538 20.693 1.00 72.03 ATOM 2314 HN ARG 141 -2.354 -25.466 20.951 1.00 37.46 ATOM 2315 CA ARG 141 -2.902 -23.581 21.739 1.00 2.13 ATOM 2316 HA ARG 141 -3.857 -23.133 21.495 1.00 54.35 ATOM 2317 CB ARG 141 -3.024 -24.291 23.089 1.00 54.21 ATOM 2318 HB1 ARG 141 -2.097 -24.810 23.291 1.00 37.46 ATOM 2319 HB2 ARG 141 -3.825 -25.014 23.028 1.00 4.04 ATOM 2320 CG ARG 141 -3.314 -23.351 24.247 1.00 11.45 ATOM 2321 HG1 ARG 141 -4.271 -22.880 24.079 1.00 37.46 ATOM 2322 HG2 ARG 141 -2.545 -22.594 24.296 1.00 31.01 ATOM 2323 CD ARG 141 -3.331 -24.092 25.575 1.00 2.54 ATOM 2324 HD1 ARG 141 -2.578 -23.654 26.216 1.00 37.46 ATOM 2325 HD2 ARG 141 -3.100 -25.139 25.422 1.00 22.45 ATOM 2326 NE ARG 141 -4.627 -23.994 26.241 1.00 53.54 ATOM 2327 HE ARG 141 -5.366 -23.557 25.758 1.00 53.24 ATOM 2328 CZ ARG 141 -4.865 -24.465 27.459 1.00 14.14 ATOM 2329 NH1 ARG 141 -3.900 -25.064 28.143 1.00 44.53 ATOM 2330 HH11 ARG 141 -2.983 -25.174 27.762 1.00 5.02 ATOM 2331 HH12 ARG 141 -4.089 -25.416 29.062 1.00 52.52 ATOM 2332 NH2 ARG 141 -6.072 -24.338 27.997 1.00 3.54 ATOM 2333 HH21 ARG 141 -6.806 -23.887 27.486 1.00 12.34 ATOM 2334 HH22 ARG 141 -6.254 -24.693 28.916 1.00 1.35 ATOM 2335 C ARG 141 -1.851 -22.478 21.826 1.00 14.45 ATOM 2336 O ARG 141 -2.179 -21.313 22.052 1.00 23.11 ATOM 2337 N GLU 142 -0.589 -22.854 21.646 1.00 11.35 ATOM 2338 HN GLU 142 -0.382 -23.803 21.474 1.00 37.46 ATOM 2339 CA GLU 142 0.509 -21.896 21.706 1.00 14.34 ATOM 2340 HA GLU 142 0.352 -21.263 22.575 1.00 44.20 ATOM 2341 CB GLU 142 1.844 -22.626 21.860 1.00 44.13 ATOM 2342 HB1 GLU 142 2.638 -22.012 21.445 1.00 37.46 ATOM 2343 HB2 GLU 142 1.806 -23.557 21.312 1.00 21.22 ATOM 2344 CG GLU 142 2.205 -22.940 23.302 1.00 14.52 ATOM 2345 HG1 GLU 142 1.518 -23.685 23.677 1.00 37.46 ATOM 2346 HG2 GLU 142 2.114 -22.039 23.892 1.00 33.05 ATOM 2347 CD GLU 142 3.618 -23.468 23.449 1.00 44.22 ATOM 2348 OE1 GLU 142 4.517 -22.670 23.790 1.00 14.03 ATOM 2349 OE2 GLU 142 3.827 -24.678 23.222 1.00 12.22 ATOM 2350 C GLU 142 0.536 -21.020 20.457 1.00 75.33 ATOM 2351 O GLU 142 0.541 -21.523 19.334 1.00 41.53 ATOM 2352 N GLY 143 0.552 -19.707 20.662 1.00 54.54 ATOM 2353 HN GLY 143 0.557 -19.352 21.581 1.00 37.46 ATOM 2354 CA GLY 143 0.577 -18.782 19.544 1.00 51.34 ATOM 2355 HA1 GLY 143 0.321 -19.294 18.623 1.00 37.46 ATOM 2356 HA2 GLY 143 1.578 -18.388 19.446 1.00 13.40 ATOM 2357 C GLY 143 -0.389 -17.628 19.724 1.00 53.41 ATOM 2358 O GLY 143 -1.555 -17.719 19.337 1.00 5.22 ATOM 2359 N ARG 144 0.095 -16.540 20.314 1.00 55.40 ATOM 2360 HN ARG 144 1.035 -16.529 20.616 1.00 37.46 ATOM 2361 CA ARG 144 -0.735 -15.364 20.547 1.00 15.14 ATOM 2362 HA ARG 144 -1.489 -15.313 19.769 1.00 52.31 ATOM 2363 CB ARG 144 -1.416 -15.457 21.914 1.00 34.31 ATOM 2364 HB1 ARG 144 -1.573 -14.461 22.317 1.00 37.46 ATOM 2365 HB2 ARG 144 -0.770 -16.000 22.591 1.00 21.34 ATOM 2366 CG ARG 144 -2.758 -16.171 21.879 1.00 61.03 ATOM 2367 HG1 ARG 144 -3.027 -16.434 22.890 1.00 37.46 ATOM 2368 HG2 ARG 144 -2.680 -17.068 21.289 1.00 44.34 ATOM 2369 CD ARG 144 -3.846 -15.283 21.296 1.00 12.12 ATOM 2370 HD1 ARG 144 -4.707 -15.894 21.063 1.00 37.46 ATOM 2371 HD2 ARG 144 -3.485 -14.828 20.383 1.00 61.23 ATOM 2372 NE ARG 144 -4.242 -14.224 22.221 1.00 34.52 ATOM 2373 HE ARG 144 -3.945 -13.311 22.015 1.00 71.21 ATOM 2374 CZ ARG 144 -4.974 -14.436 23.310 1.00 51.54 ATOM 2375 NH1 ARG 144 -5.387 -15.660 23.608 1.00 42.31 ATOM 2376 HH11 ARG 144 -5.171 -16.443 23.034 1.00 74.31 ATOM 2377 HH12 ARG 144 -5.934 -15.806 24.435 1.00 63.02 ATOM 2378 NH2 ARG 144 -5.294 -13.421 24.103 1.00 40.25 ATOM 2379 HH21 ARG 144 -4.985 -12.493 23.883 1.00 14.40 ATOM 2380 HH22 ARG 144 -5.846 -13.578 24.925 1.00 3.51 ATOM 2381 C ARG 144 0.096 -14.087 20.468 1.00 51.14 ATOM 2382 O ARG 144 1.324 -14.129 20.540 1.00 42.42 ATOM 2383 N ARG 145 -0.582 -12.954 20.318 1.00 53.13 ATOM 2384 HN ARG 145 -1.564 -12.989 20.280 1.00 37.46 ATOM 2385 HA ARG 145 1.084 -11.817 19.812 1.00 22.33 ATOM 2386 CB ARG 145 -0.676 -10.727 19.296 1.00 55.54 ATOM 2387 HB1 ARG 145 -0.772 -11.215 18.336 1.00 37.46 ATOM 2388 HB2 ARG 145 -0.107 -9.815 19.170 1.00 64.32 ATOM 2389 CG ARG 145 -2.060 -10.360 19.808 1.00 22.41 ATOM 2390 HG1 ARG 145 -1.967 -9.532 20.496 1.00 37.46 ATOM 2391 HG2 ARG 145 -2.499 -11.201 20.323 1.00 41.54 ATOM 2392 CD ARG 145 -2.987 -9.960 18.671 1.00 31.04 ATOM 2393 HD1 ARG 145 -3.998 -10.214 18.954 1.00 37.46 ATOM 2394 HD2 ARG 145 -2.724 -10.509 17.774 1.00 45.11 ATOM 2395 NE ARG 145 -2.928 -8.527 18.396 1.00 72.12 ATOM 2396 HE ARG 145 -2.418 -7.957 19.018 1.00 64.32 ATOM 2397 CZ ARG 145 -3.526 -7.953 17.357 1.00 23.25 ATOM 2398 NH1 ARG 145 -4.224 -8.687 16.502 1.00 42.45 ATOM 2399 HH11 ARG 145 -4.318 -9.674 16.617 1.00 75.01 ATOM 2400 HH12 ARG 145 -4.670 -8.245 15.721 1.00 2.21 ATOM 2401 NH2 ARG 145 -3.426 -6.643 17.174 1.00 10.20 ATOM 2402 HH21 ARG 145 -2.900 -6.083 17.818 1.00 2.43 ATOM 2403 HH22 ARG 145 -3.876 -6.207 16.391 1.00 2.14 ATOM 2404 CA ARG 145 0.093 -11.665 20.226 1.00 25.32 ATOM 2405 C ARG 145 0.237 -11.027 21.605 1.00 74.41 ATOM 2406 OT1 ARG 145 1.334 -10.504 21.897 1.00 37.46 ATOM 2407 OT2 ARG 145 -0.737 -11.061 22.392 1.00 37.46 ATOM 2408 OH2 TIP3 1 -3.697 -50.209 -12.841 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -3.497 -49.785 -13.676 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -3.041 -49.866 -12.234 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -1.268 -51.547 -18.965 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -1.290 -51.362 -18.026 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -0.578 -50.978 -19.306 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -7.535 -50.869 -14.388 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.858 -51.501 -14.628 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -7.213 -50.467 -13.580 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -4.679 -50.361 -17.098 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -4.861 -49.445 -17.309 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -4.503 -50.771 -17.945 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -3.332 -52.926 -13.235 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -4.114 -53.112 -13.755 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -3.404 -51.997 -13.018 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -5.143 -56.846 -2.628 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -5.584 -57.566 -2.178 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -5.156 -56.125 -1.998 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -10.460 -57.352 -0.524 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -10.156 -58.038 -1.118 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -9.738 -57.234 0.094 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -1.405 -64.273 2.573 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -2.094 -63.615 2.478 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -1.390 -64.470 3.510 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -7.985 -56.439 -5.306 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -8.281 -56.761 -6.157 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -8.309 -55.539 -5.264 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -5.220 -55.324 -5.146 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -5.477 -56.014 -5.758 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -5.149 -55.767 -4.301 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -5.758 -61.412 3.123 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -5.678 -60.649 3.695 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -6.359 -61.133 2.432 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -12.643 -55.528 -1.381 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -12.738 -56.106 -2.138 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -11.914 -55.899 -0.885 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.334 -54.684 0.305 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -7.575 -54.022 0.953 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -7.532 -55.518 0.730 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -12.763 -55.788 4.288 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -13.075 -55.006 4.744 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -13.413 -55.941 3.602 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -9.058 -53.687 -4.825 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.584 -53.392 -4.047 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -9.621 -52.949 -5.058 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -14.524 -53.716 5.052 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -14.516 -53.852 4.104 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -15.440 -53.834 5.304 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -1.896 -54.308 -10.070 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -1.823 -53.369 -9.900 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -0.991 -54.613 -10.127 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -10.000 -54.503 3.784 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -9.913 -53.677 4.259 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -10.864 -54.833 4.033 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -9.586 -50.731 -6.410 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -9.661 -50.852 -7.356 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -9.553 -49.781 -6.291 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -6.484 -51.577 -9.407 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -6.109 -52.321 -9.878 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -6.480 -51.847 -8.489 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -6.815 -51.651 -6.658 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -7.750 -51.551 -6.479 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -6.535 -52.360 -6.080 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -3.827 -62.584 5.388 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -4.234 -62.103 4.668 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -3.786 -63.489 5.081 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -6.070 -64.252 3.609 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -6.584 -64.378 4.406 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -6.225 -63.340 3.364 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -8.167 -61.043 1.690 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -7.843 -61.674 1.047 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -8.607 -61.578 2.351 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -9.379 -57.543 3.697 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -9.725 -57.924 4.503 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -9.579 -56.609 3.768 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -3.102 -54.050 -7.521 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -3.475 -54.876 -7.211 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -2.825 -54.233 -8.418 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -5.942 -59.242 -0.499 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -6.870 -59.474 -0.526 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -5.491 -60.019 -0.829 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -11.457 -53.102 1.525 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -11.094 -52.247 1.292 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -10.925 -53.394 2.266 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -7.913 -57.003 1.226 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -8.339 -57.230 2.052 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -7.332 -57.741 1.043 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -1.206 -51.594 -9.499 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -0.463 -51.008 -9.639 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -1.901 -51.026 -9.166 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -9.944 -53.694 -8.048 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -10.761 -53.197 -7.995 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -9.415 -53.219 -8.688 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -3.673 -65.204 3.944 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -4.589 -64.941 3.856 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -3.337 -65.207 3.047 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -5.071 -61.453 -1.960 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -5.868 -61.868 -2.289 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -4.626 -62.144 -1.469 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -13.673 -52.607 7.510 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -12.905 -53.066 7.851 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -13.694 -52.833 6.580 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -11.708 -57.746 6.277 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -12.036 -57.475 5.419 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -11.556 -58.687 6.189 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -8.564 -59.036 6.916 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -7.611 -58.952 6.888 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -8.724 -59.747 7.535 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.834 -62.528 7.481 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -6.642 -63.459 7.370 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -5.977 -62.103 7.471 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -5.518 -59.739 5.559 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -5.799 -59.030 4.981 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -4.575 -59.812 5.408 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -1.559 -59.880 -5.211 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -2.285 -60.359 -4.813 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -0.978 -59.674 -4.479 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -1.419 -61.486 5.675 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -2.282 -61.865 5.510 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -0.815 -62.225 5.601 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -3.450 -63.195 -0.750 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -2.517 -62.983 -0.784 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -3.685 -63.093 0.173 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -3.421 -62.458 2.026 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -4.264 -62.190 2.392 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -2.978 -61.636 1.815 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -14.191 -53.553 2.265 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -14.616 -52.744 1.982 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -13.286 -53.468 1.963 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -14.322 -50.697 1.342 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -15.187 -50.625 1.746 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -14.377 -50.150 0.558 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -9.611 -50.809 0.518 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -10.068 -50.280 -0.136 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -9.448 -50.206 1.243 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -12.696 -52.494 -1.274 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -12.483 -53.382 -1.561 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -12.631 -52.528 -0.319 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -9.259 -51.240 -9.209 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -8.393 -50.874 -9.387 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -9.506 -51.680 -10.022 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -2.550 -51.677 -6.529 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.744 -52.425 -7.094 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -2.589 -50.919 -7.113 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -5.143 -56.846 16.228 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -5.584 -57.566 16.678 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -5.156 -56.125 16.858 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -8.032 -51.741 16.440 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -7.412 -52.418 16.167 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -8.240 -51.959 17.348 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -7.985 -56.439 13.550 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -8.281 -56.761 12.699 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -8.309 -55.539 13.592 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -4.631 -55.006 18.576 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -5.573 -54.948 18.737 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -4.355 -54.100 18.439 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -6.379 -53.225 15.201 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -5.954 -53.932 14.716 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -6.062 -52.424 14.784 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -5.220 -55.324 13.710 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -5.477 -56.014 13.098 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -5.149 -55.767 14.555 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -3.534 -56.758 22.187 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -3.394 -57.349 21.448 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.366 -55.885 21.831 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -7.334 -54.684 19.161 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -7.575 -54.022 19.809 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -7.532 -55.518 19.586 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -9.058 -53.687 14.031 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -8.584 -53.392 14.809 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -9.621 -52.949 13.798 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -9.586 -50.731 12.446 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -9.661 -50.852 11.500 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -9.553 -49.781 12.565 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -5.307 -59.391 8.226 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -5.265 -59.614 7.296 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -4.458 -58.993 8.416 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -3.697 -50.209 24.871 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -3.497 -49.785 24.036 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -3.041 -49.866 25.478 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -10.899 -57.727 11.316 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -11.643 -58.234 10.993 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -11.033 -57.678 12.262 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -3.749 -58.594 20.102 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -3.107 -58.137 19.559 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -4.579 -58.481 19.640 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -8.773 -56.268 10.341 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -9.068 -55.442 10.723 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -9.476 -56.888 10.537 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -13.288 -52.229 13.611 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -14.238 -52.124 13.663 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -12.937 -51.409 13.956 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -5.710 -56.074 9.156 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -5.357 -56.454 9.960 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -6.659 -56.167 9.242 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -4.844 -57.401 11.382 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -5.121 -58.129 11.938 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -3.917 -57.282 11.588 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -11.619 -54.962 7.603 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -11.380 -55.710 7.055 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -11.888 -55.350 8.435 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -12.682 -55.392 10.059 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -12.535 -55.912 10.849 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -12.685 -54.485 10.365 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -9.944 -53.694 10.808 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -10.761 -53.197 10.861 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -9.415 -53.219 10.168 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -12.606 -52.651 10.790 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -12.445 -51.851 10.289 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -12.803 -52.344 11.675 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -3.984 -52.197 18.518 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -4.140 -51.519 17.861 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -3.052 -52.125 18.721 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -14.022 -57.372 7.832 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -13.958 -58.166 8.363 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -13.369 -57.491 7.143 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -2.412 -58.802 7.846 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -2.685 -59.227 7.033 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -2.372 -57.871 7.629 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -1.705 -51.980 21.669 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.192 -52.715 21.298 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -1.156 -52.373 22.347 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -1.953 -57.933 11.821 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -1.103 -57.512 11.949 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -1.948 -58.673 12.429 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -1.559 -59.880 13.645 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -2.285 -60.359 14.043 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -0.978 -59.674 14.377 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -1.800 -57.095 18.593 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -0.966 -57.473 18.312 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -1.688 -56.152 18.474 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -3.313 -54.217 20.900 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -3.961 -53.892 21.525 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -3.831 -54.657 20.225 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -1.291 -59.979 10.036 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -1.812 -59.622 9.317 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -1.324 -59.304 10.714 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -2.942 -62.739 8.587 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -2.845 -62.072 7.907 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -3.082 -63.555 8.105 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -7.535 -50.869 23.324 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -6.858 -51.501 23.084 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -7.213 -50.467 24.132 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -4.679 -50.361 20.614 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -4.861 -49.445 20.403 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -4.503 -50.771 19.767 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -1.797 -46.895 -18.519 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -1.748 -46.285 -17.783 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -1.371 -46.434 -19.242 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -7.319 -44.102 -19.052 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -7.176 -45.049 -19.032 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -7.425 -43.895 -19.981 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -4.678 -46.579 -21.398 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -4.893 -47.345 -20.866 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -4.022 -46.107 -20.885 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -4.631 -36.150 -19.136 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -5.573 -36.092 -18.975 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -4.355 -35.244 -19.273 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -4.331 -47.864 -17.719 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -5.067 -47.253 -17.757 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -3.647 -47.449 -18.245 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -5.758 -42.556 -15.733 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -5.678 -41.793 -15.161 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -6.359 -42.277 -16.424 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -6.070 -45.396 -15.247 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -6.584 -45.522 -14.450 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -6.225 -44.484 -15.492 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -9.333 -43.096 -13.163 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -9.896 -43.800 -12.843 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -8.507 -43.216 -12.696 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -8.167 -42.187 -17.166 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -7.843 -42.818 -17.809 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -8.607 -42.722 -16.505 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -3.749 -39.738 -17.610 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -3.107 -39.281 -18.153 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -4.579 -39.625 -18.072 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -7.129 -36.225 -15.209 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -8.030 -36.042 -15.477 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -7.095 -35.966 -14.288 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -1.398 -43.980 -26.842 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -1.952 -44.376 -27.514 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -1.297 -43.070 -27.119 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -5.942 -40.386 -19.355 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -6.870 -40.618 -19.382 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -5.491 -41.163 -19.685 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -5.254 -33.595 -15.161 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -5.856 -34.150 -15.656 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.973 -32.928 -15.787 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -8.397 -46.621 -16.864 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -7.699 -46.547 -16.214 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -8.778 -47.485 -16.709 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -9.877 -44.255 -15.747 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -9.758 -43.681 -14.990 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -9.222 -44.943 -15.632 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -5.071 -42.597 -20.816 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -5.868 -43.012 -21.145 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -4.626 -43.288 -20.325 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -3.984 -33.341 -19.194 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -4.140 -32.663 -19.851 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -3.052 -33.269 -18.991 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -7.096 -35.371 -12.617 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -7.447 -36.227 -12.374 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -6.370 -35.228 -12.010 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -5.973 -38.974 -15.196 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -5.228 -38.386 -15.316 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -6.730 -38.392 -15.133 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -8.564 -40.180 -11.940 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -7.611 -40.096 -11.968 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -8.724 -40.891 -11.321 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -6.834 -43.672 -11.375 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -6.642 -44.603 -11.486 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -5.977 -43.247 -11.385 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -5.518 -40.883 -13.297 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -5.799 -40.174 -13.875 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -4.575 -40.956 -13.448 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -8.046 -46.021 -13.572 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -8.994 -45.989 -13.440 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -7.734 -46.646 -12.918 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -1.268 -32.691 -18.965 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -1.290 -32.506 -18.026 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -0.578 -32.122 -19.306 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -1.559 -41.024 -24.067 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -2.285 -41.503 -23.669 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -0.978 -40.818 -23.335 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -1.800 -38.239 -19.119 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -0.966 -38.617 -19.400 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -1.688 -37.296 -19.238 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -3.313 -35.361 -16.812 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -3.961 -35.036 -16.187 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -3.831 -35.801 -17.487 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -3.772 -42.503 -23.504 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -3.922 -43.448 -23.524 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -4.126 -42.222 -22.660 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -4.062 -44.920 -25.042 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -3.782 -45.827 -24.917 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -3.303 -44.486 -25.431 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -3.450 -44.339 -19.606 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -2.517 -44.127 -19.640 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -3.685 -44.237 -18.683 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -3.421 -43.602 -16.830 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -4.264 -43.334 -16.464 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -2.978 -42.780 -17.041 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -1.138 -49.622 -11.476 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -0.788 -50.276 -12.082 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -0.991 -48.785 -11.916 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -3.448 -47.657 -24.993 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -3.266 -48.106 -24.168 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -4.048 -48.242 -25.457 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -9.880 -33.298 -13.632 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -9.695 -33.632 -12.754 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -9.033 -32.989 -13.954 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.535 -32.013 -14.388 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -6.858 -32.645 -14.628 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -7.213 -31.611 -13.580 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -2.617 -49.423 -15.308 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -3.430 -49.098 -15.696 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -2.384 -50.183 -15.841 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -7.284 -33.075 -17.393 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -8.188 -32.910 -17.659 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -6.855 -32.222 -17.459 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -4.679 -31.505 -17.098 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -4.861 -30.589 -17.309 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -4.503 -31.915 -17.945 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -4.045 -49.867 -20.873 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -3.441 -49.319 -21.374 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -4.914 -49.547 -21.113 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -2.318 -48.728 -22.539 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -1.706 -49.242 -23.066 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -1.935 -47.850 -22.516 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -6.508 -50.143 -11.928 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -6.432 -50.569 -11.074 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -5.615 -50.129 -12.270 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -15.557 -36.864 -0.802 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -15.927 -37.666 -1.171 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -14.616 -37.033 -0.755 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -8.032 -32.885 -2.416 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -7.412 -33.562 -2.689 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -8.240 -33.103 -1.508 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -14.164 -46.001 -2.924 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -14.121 -45.141 -3.342 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -14.622 -46.553 -3.557 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -12.388 -42.054 -2.946 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -11.772 -42.580 -2.437 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -12.974 -42.694 -3.350 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -12.785 -39.407 1.438 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -13.525 -38.809 1.541 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -12.071 -38.853 1.122 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -11.328 -49.777 -1.397 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -11.445 -50.726 -1.451 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -12.183 -49.445 -1.124 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -9.061 -40.940 -6.897 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -9.773 -40.405 -7.248 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -8.370 -40.884 -7.557 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -9.007 -42.482 -9.858 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -8.306 -42.460 -9.207 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -8.705 -43.110 -10.514 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -14.010 -40.100 -4.062 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -14.340 -40.470 -4.881 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -13.422 -40.770 -3.716 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -12.643 -36.672 -1.381 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -12.738 -37.250 -2.138 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -11.914 -37.043 -0.885 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -13.643 -41.331 -0.429 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -13.078 -41.210 -1.192 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -13.324 -40.694 0.210 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -7.334 -35.828 0.305 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -7.575 -35.166 0.953 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -7.532 -36.662 0.730 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -6.784 -41.568 -8.260 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -6.205 -41.418 -7.513 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -6.370 -41.097 -8.983 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -3.086 -49.818 -8.447 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -3.985 -49.679 -8.152 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -2.834 -48.987 -8.849 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -15.020 -41.030 -6.473 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -15.312 -40.262 -6.964 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -15.694 -41.690 -6.636 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -10.000 -35.647 3.784 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -9.913 -34.821 4.259 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -10.864 -35.977 4.033 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -9.586 -31.875 -6.410 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -9.661 -31.996 -7.356 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -9.553 -30.925 -6.291 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -6.815 -32.795 -6.658 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -7.750 -32.695 -6.479 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -6.535 -33.504 -6.080 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -14.059 -48.874 -0.619 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -14.920 -48.961 -1.027 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -14.081 -48.018 -0.192 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -5.307 -40.535 -10.630 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -5.265 -40.758 -11.560 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -4.458 -40.137 -10.440 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -9.734 -46.659 -9.960 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -9.988 -46.640 -9.037 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -9.991 -47.531 -10.261 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -13.968 -43.908 0.476 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -14.610 -43.949 1.185 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -13.931 -42.982 0.238 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -13.971 -43.687 -4.612 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -14.864 -44.028 -4.671 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -13.520 -44.064 -5.368 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -8.167 -42.187 1.690 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -7.843 -42.818 1.047 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -8.607 -42.722 2.351 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -11.389 -46.260 -3.526 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -12.300 -46.203 -3.237 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -10.884 -46.320 -2.715 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -12.908 -44.631 -7.043 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -11.976 -44.502 -6.865 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -13.123 -43.961 -7.692 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -11.443 -45.084 0.775 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -12.278 -44.630 0.885 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.919 -44.808 1.527 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -10.899 -38.871 -7.540 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -11.643 -39.378 -7.863 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -11.033 -38.822 -6.594 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -9.379 -38.687 3.697 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -9.725 -39.068 4.503 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -9.579 -37.753 3.768 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -15.774 -39.576 -1.771 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -15.029 -39.578 -2.372 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -15.696 -40.400 -1.289 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -8.773 -37.412 -8.515 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -9.068 -36.586 -8.133 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -9.476 -38.032 -8.319 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -11.749 -41.598 5.757 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -12.045 -41.764 4.862 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -10.818 -41.818 5.747 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -13.399 -36.058 -4.366 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -12.872 -35.285 -4.567 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -14.279 -35.833 -4.668 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -11.457 -34.246 1.525 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -11.094 -33.391 1.292 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -10.925 -34.538 2.266 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -13.288 -33.373 -5.245 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -14.238 -33.268 -5.193 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -12.937 -32.553 -4.900 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -7.913 -38.147 1.226 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -8.339 -38.374 2.052 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -7.332 -38.885 1.043 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -5.710 -37.218 -9.700 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -5.357 -37.598 -8.896 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -6.659 -37.311 -9.614 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -4.844 -38.545 -7.474 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -5.121 -39.273 -6.918 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -3.917 -38.426 -7.268 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -12.682 -36.536 -8.797 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -12.535 -37.056 -8.007 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -12.685 -35.629 -8.491 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -9.944 -34.838 -8.048 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -10.761 -34.341 -7.995 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -9.415 -34.363 -8.688 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -10.413 -45.241 -6.076 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -9.601 -44.737 -6.030 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -10.658 -45.386 -5.162 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -9.529 -48.160 -5.138 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -9.876 -47.542 -4.493 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -8.871 -47.659 -5.619 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -12.606 -33.795 -8.066 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -12.445 -32.995 -8.567 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -12.803 -33.488 -7.181 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -9.581 -34.243 -11.115 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -10.225 -34.874 -10.793 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -8.819 -34.774 -11.347 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -7.096 -35.371 6.239 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -7.447 -36.227 6.482 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -6.370 -35.228 6.846 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -8.670 -37.469 -11.288 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -8.938 -37.289 -10.387 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -8.876 -38.395 -11.419 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -12.873 -40.544 -8.718 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -13.332 -41.028 -8.032 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -12.618 -41.212 -9.354 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -13.584 -42.651 3.638 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -14.202 -41.976 3.919 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -13.240 -42.330 2.805 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -8.564 -40.180 6.916 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -7.611 -40.096 6.888 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -8.724 -40.891 7.535 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -13.244 -45.296 4.721 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -13.094 -46.025 4.118 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -13.242 -44.519 4.162 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -12.832 -46.926 2.213 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -12.296 -46.475 1.561 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -13.684 -47.034 1.791 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -11.250 -41.487 2.453 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.499 -41.643 1.880 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -11.589 -40.635 2.177 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -14.766 -44.098 6.632 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -15.533 -44.630 6.422 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -14.087 -44.408 6.033 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -12.026 -49.470 2.645 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -12.124 -48.523 2.539 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -12.769 -49.842 2.169 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -16.585 -46.177 6.337 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -16.374 -46.884 5.726 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -16.697 -46.615 7.181 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -9.880 -33.298 5.224 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -9.695 -33.632 6.102 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -9.033 -32.989 4.902 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -7.535 -32.013 4.468 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -6.858 -32.645 4.228 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -7.213 -31.611 5.276 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -9.611 -31.953 0.518 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -10.068 -31.424 -0.136 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.448 -31.350 1.243 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -7.284 -33.075 1.463 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -8.188 -32.910 1.197 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -6.855 -32.222 1.397 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -4.679 -31.505 1.758 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -4.861 -30.589 1.547 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -4.503 -31.915 0.911 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -15.233 -34.108 -2.122 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -15.452 -35.024 -1.953 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -14.409 -33.968 -1.656 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -12.696 -33.638 -1.274 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -12.483 -34.526 -1.561 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -12.631 -33.672 -0.319 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -12.281 -49.413 -4.494 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -11.407 -49.025 -4.524 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -12.417 -49.628 -3.571 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -11.137 -47.333 -7.604 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -10.959 -47.979 -6.921 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -11.191 -46.499 -7.137 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -9.259 -32.384 -9.209 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -8.393 -32.018 -9.387 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -9.506 -32.824 -10.022 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -14.930 -49.475 6.746 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -14.031 -49.749 6.561 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -15.316 -50.218 7.210 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -7.782 -40.184 14.507 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -7.693 -39.240 14.375 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -8.421 -40.459 13.849 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -8.849 -40.929 17.926 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -8.887 -41.575 18.631 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -9.172 -41.395 17.155 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -10.460 -38.496 18.332 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -10.156 -39.182 17.738 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.738 -38.378 18.950 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -7.985 -37.583 13.550 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -8.281 -37.905 12.699 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -8.309 -36.683 13.592 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -12.785 -39.407 20.294 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -13.525 -38.809 20.397 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -12.071 -38.853 19.978 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -14.377 -37.443 21.081 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -14.383 -36.564 20.703 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -15.231 -37.526 21.506 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -9.061 -40.940 11.959 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -9.773 -40.405 11.608 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -8.370 -40.884 11.299 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -9.007 -42.482 8.998 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -8.306 -42.460 9.649 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -8.705 -43.110 8.342 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -12.643 -36.672 17.475 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -12.738 -37.250 16.718 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -11.914 -37.043 17.971 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -12.763 -36.932 23.144 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -13.075 -36.150 23.600 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -13.413 -37.085 22.458 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -6.784 -41.568 10.596 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -6.205 -41.418 11.343 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -6.370 -41.097 9.873 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -9.058 -34.831 14.031 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -8.584 -34.536 14.809 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -9.621 -34.093 13.798 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -10.000 -35.647 22.640 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -9.913 -34.821 23.115 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -10.864 -35.977 22.889 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -9.586 -31.875 12.446 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -9.661 -31.996 11.500 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -9.553 -30.925 12.565 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -6.484 -32.721 9.449 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -6.109 -33.465 8.978 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -6.480 -32.991 10.367 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -6.815 -32.795 12.198 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -7.750 -32.695 12.377 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -6.535 -33.504 12.776 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -9.396 -49.152 21.611 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -8.976 -49.567 22.364 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -10.329 -49.330 21.728 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -8.435 -43.271 13.061 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -8.844 -42.456 12.769 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -7.715 -43.411 12.446 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -7.431 -43.825 15.875 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -7.626 -43.220 15.160 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -7.249 -44.659 15.440 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -12.852 -46.214 7.997 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -13.283 -46.659 8.727 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -13.570 -45.842 7.485 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -8.167 -42.187 20.546 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -7.843 -42.818 19.903 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -8.607 -42.722 21.207 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -11.389 -46.260 15.330 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -12.300 -46.203 15.619 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -10.884 -46.320 16.141 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -12.908 -44.631 11.813 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -11.976 -44.502 11.991 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -13.123 -43.961 11.164 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -6.984 -47.025 18.594 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -7.661 -46.894 19.258 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -7.470 -47.180 17.784 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -14.234 -43.436 9.380 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -14.776 -43.816 8.689 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -13.400 -43.242 8.951 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -10.069 -43.472 17.217 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -9.505 -44.019 16.670 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -10.217 -43.994 18.006 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -11.443 -45.084 19.631 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -12.278 -44.630 19.741 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -10.919 -44.808 20.383 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -9.379 -38.687 22.553 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -9.725 -39.068 23.359 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -9.579 -37.753 22.624 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -8.773 -37.412 10.341 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.068 -36.586 10.723 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -9.476 -38.032 10.537 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -11.749 -41.598 24.613 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -12.045 -41.764 23.718 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -10.818 -41.818 24.603 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -13.399 -36.058 14.490 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -12.872 -35.285 14.289 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -14.279 -35.833 14.188 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -11.972 -38.395 14.066 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -12.213 -37.470 14.108 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -12.712 -38.854 14.462 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -11.457 -34.246 20.381 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -11.094 -33.391 20.148 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -10.925 -34.538 21.122 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -13.288 -33.373 13.611 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -14.238 -33.268 13.663 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -12.937 -32.553 13.956 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -5.710 -37.218 9.156 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -5.357 -37.598 9.960 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -6.659 -37.311 9.242 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -8.397 -46.621 20.848 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -7.699 -46.547 21.498 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -8.778 -47.485 21.003 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -10.413 -45.241 12.780 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -9.601 -44.737 12.826 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -10.658 -45.386 13.694 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -9.877 -44.255 21.965 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -9.758 -43.681 22.722 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -9.222 -44.943 22.080 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -9.529 -48.160 13.718 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -9.876 -47.542 14.363 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -8.871 -47.659 13.237 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -13.872 -47.097 10.406 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -13.955 -46.208 10.752 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -12.982 -47.362 10.637 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -9.581 -34.243 7.741 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -10.225 -34.874 8.063 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -8.819 -34.774 7.509 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -7.096 -35.371 25.095 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -7.447 -36.227 25.338 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -6.370 -35.228 25.702 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -11.708 -38.890 25.133 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -12.036 -38.619 24.275 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -11.556 -39.831 25.045 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -8.670 -37.469 7.568 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -8.938 -37.289 8.469 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -8.876 -38.395 7.437 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -13.584 -42.651 22.494 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -14.202 -41.976 22.775 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -13.240 -42.330 21.661 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -11.802 -42.301 8.401 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -11.982 -42.455 7.473 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -10.851 -42.193 8.445 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -11.250 -41.487 21.309 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -10.499 -41.643 20.736 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -11.589 -40.635 21.033 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -10.762 -45.148 25.064 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -10.998 -45.368 25.966 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.545 -45.355 24.555 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -6.412 -47.387 26.145 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -6.509 -48.339 26.139 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -6.734 -47.118 27.006 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -1.138 -49.622 26.236 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -0.788 -50.276 25.630 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -0.991 -48.785 25.796 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -14.191 -34.697 21.121 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -14.616 -33.888 20.838 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -13.286 -34.612 20.819 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -9.880 -33.298 24.080 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -9.695 -33.632 24.958 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.033 -32.989 23.758 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -2.617 -49.423 22.404 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -3.430 -49.098 22.016 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -2.384 -50.183 21.871 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -9.611 -31.953 19.374 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -10.068 -31.424 18.720 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.448 -31.350 20.099 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -12.696 -33.638 17.582 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -12.483 -34.526 17.295 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -12.631 -33.672 18.537 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -9.187 -47.974 16.727 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -9.862 -48.603 16.982 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -8.623 -48.458 16.124 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -4.045 -49.867 16.839 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -3.441 -49.319 16.338 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -4.914 -49.547 16.599 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -12.281 -49.413 14.362 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -11.407 -49.025 14.332 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -12.417 -49.628 15.285 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -6.724 -49.383 16.011 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -6.648 -49.288 15.062 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -7.000 -50.291 16.140 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -11.137 -47.333 11.252 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -10.959 -47.979 11.935 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -11.191 -46.499 11.719 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -9.259 -32.384 9.647 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -8.393 -32.018 9.469 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -9.506 -32.824 8.834 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -6.508 -50.143 25.784 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -6.432 -50.569 26.638 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -5.615 -50.129 25.442 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -9.061 -40.940 30.815 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -9.773 -40.405 30.464 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -8.370 -40.884 30.155 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -9.007 -42.482 27.854 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -8.306 -42.460 28.505 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.705 -43.110 27.198 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -5.655 -40.730 31.767 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -6.387 -40.502 32.340 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.208 -41.444 32.222 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -6.784 -41.568 29.452 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -6.205 -41.418 30.199 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -6.370 -41.097 28.729 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -6.484 -32.721 28.305 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -6.109 -33.465 27.834 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -6.480 -32.991 29.223 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -9.734 -46.659 27.752 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -9.988 -46.640 28.675 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -9.991 -47.531 27.451 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -8.435 -43.271 31.917 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -8.844 -42.456 31.625 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -7.715 -43.411 31.302 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -10.899 -38.871 30.172 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -11.643 -39.378 29.849 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -11.033 -38.822 31.118 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -7.001 -46.057 28.371 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -7.939 -45.945 28.220 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -6.704 -45.200 28.677 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -6.283 -44.190 30.032 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -5.391 -44.327 30.351 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -6.226 -43.399 29.495 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -8.773 -37.412 29.197 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -9.068 -36.586 29.579 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -9.476 -38.032 29.393 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -1.398 -43.980 29.726 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -1.952 -44.376 29.054 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -1.297 -43.070 29.449 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -3.102 -35.194 30.191 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -3.475 -36.020 30.501 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -2.825 -35.377 29.294 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -5.710 -37.218 28.012 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -5.357 -37.598 28.816 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -6.659 -37.311 28.098 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -4.844 -38.545 30.238 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -5.121 -39.273 30.794 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -3.917 -38.426 30.444 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -11.619 -36.106 26.459 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -11.380 -36.854 25.911 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -11.888 -36.494 27.291 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -7.613 -46.969 30.801 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -7.393 -46.497 29.998 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -7.055 -46.574 31.472 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -9.581 -34.243 26.597 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -10.225 -34.874 26.919 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -8.819 -34.774 26.365 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -8.670 -37.469 26.424 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -8.938 -37.289 27.325 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -8.876 -38.395 26.293 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -12.873 -40.544 28.994 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -13.332 -41.028 29.680 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -12.618 -41.212 28.358 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -11.802 -42.301 27.257 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -11.982 -42.455 26.329 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -10.851 -42.193 27.301 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -1.953 -39.077 30.677 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -1.103 -38.656 30.805 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -1.948 -39.817 31.285 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -1.291 -41.123 28.892 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -1.812 -40.766 28.173 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -1.324 -40.448 29.570 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -3.694 -46.475 26.560 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -3.084 -46.847 27.197 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -4.531 -46.897 26.756 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -4.062 -44.920 31.526 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -3.782 -45.827 31.651 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -3.303 -44.486 31.137 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -1.582 -47.590 28.103 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -1.169 -48.311 27.627 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -0.900 -46.920 28.161 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -9.259 -32.384 28.503 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -8.393 -32.018 28.325 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -9.506 -32.824 27.690 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -2.550 -32.821 31.183 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -2.744 -33.569 30.618 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -2.589 -32.063 30.599 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -1.797 -28.039 -18.519 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -1.748 -27.429 -17.783 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -1.371 -27.578 -19.242 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -1.405 -26.561 -16.283 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -2.094 -25.903 -16.378 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -1.390 -26.758 -15.346 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -4.331 -29.008 -17.719 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -5.067 -28.397 -17.757 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -3.647 -28.593 -18.245 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.692 -22.706 -17.459 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.344 -22.011 -17.370 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.227 -22.496 -18.269 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -0.979 -16.365 -13.948 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -1.028 -17.320 -13.985 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -1.805 -16.097 -13.546 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -3.827 -24.872 -13.468 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -4.234 -24.391 -14.188 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -3.786 -25.777 -13.775 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -6.070 -26.540 -15.247 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -6.584 -26.666 -14.450 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -6.225 -25.628 -15.492 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -1.434 -19.324 -14.005 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -2.286 -19.086 -14.372 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -0.844 -19.341 -14.758 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -3.673 -27.492 -14.912 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -4.589 -27.229 -15.000 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -3.337 -27.495 -15.809 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -6.834 -24.816 -11.375 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -6.642 -25.747 -11.486 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.977 -24.391 -11.385 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -8.046 -27.165 -13.572 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -8.994 -27.133 -13.440 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -7.734 -27.790 -12.918 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -6.412 -28.531 -11.567 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -6.509 -29.483 -11.573 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -6.734 -28.262 -10.706 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -3.254 -18.478 -11.405 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -4.120 -18.583 -11.011 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.878 -17.719 -10.958 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -2.916 -21.677 -13.865 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -2.333 -22.411 -13.674 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -2.352 -20.905 -13.819 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -1.419 -23.774 -13.181 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -2.282 -24.153 -13.346 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -0.815 -24.513 -13.255 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -3.421 -24.746 -16.830 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -4.264 -24.478 -16.464 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -2.978 -23.924 -17.041 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -6.508 -31.287 -11.928 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -6.432 -31.713 -11.074 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -5.615 -31.273 -12.270 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -3.332 -15.214 -13.235 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -4.114 -15.400 -13.755 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.404 -14.285 -13.018 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -1.797 -28.039 0.337 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -1.748 -27.429 1.073 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.371 -27.578 -0.386 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -6.442 -27.014 -4.523 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.796 -27.343 -3.898 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -5.932 -26.496 -5.146 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -1.405 -26.561 2.573 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -2.094 -25.903 2.478 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -1.390 -26.758 3.510 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -4.678 -27.723 -2.542 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -4.893 -28.489 -2.010 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -4.022 -27.251 -2.029 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -4.331 -29.008 1.137 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.067 -28.397 1.099 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -3.647 -28.593 0.611 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -11.328 -30.921 -1.397 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -11.445 -31.870 -1.451 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -12.183 -30.589 -1.124 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -5.220 -17.612 -5.146 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -5.477 -18.302 -5.758 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -5.149 -18.055 -4.301 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -1.692 -22.706 1.397 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.344 -22.011 1.486 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -1.227 -22.496 0.587 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -1.896 -16.596 -10.070 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -1.823 -15.657 -9.900 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -0.991 -16.901 -10.127 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -0.979 -16.365 4.908 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -1.028 -17.320 4.871 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -1.805 -16.097 5.310 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -3.827 -24.872 5.388 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -4.234 -24.391 4.668 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -3.786 -25.777 5.081 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -9.396 -30.296 2.755 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -8.976 -30.711 3.508 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -10.329 -30.474 2.872 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -7.001 -27.201 -9.341 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -7.939 -27.089 -9.492 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -6.704 -26.344 -9.035 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -6.283 -25.334 -7.680 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -5.391 -25.471 -7.361 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -6.226 -24.543 -8.217 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -1.434 -19.324 4.851 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -2.286 -19.086 4.484 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -0.844 -19.341 4.098 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -3.102 -16.338 -7.521 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -3.475 -17.164 -7.211 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -2.825 -16.521 -8.418 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -5.710 -18.362 -9.700 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -5.357 -18.742 -8.896 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -6.659 -18.455 -9.614 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -1.206 -13.882 -9.499 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -0.463 -13.296 -9.639 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -1.901 -13.314 -9.166 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -4.844 -19.689 -7.474 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -5.121 -20.417 -6.918 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -3.917 -19.570 -7.268 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -7.613 -28.113 -6.911 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -7.393 -27.641 -7.714 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -7.055 -27.718 -6.240 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -9.529 -29.304 -5.138 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -9.876 -28.686 -4.493 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -8.871 -28.803 -5.619 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -3.673 -27.492 3.944 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -4.589 -27.229 3.856 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -3.337 -27.495 3.047 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.977 -15.570 -10.881 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -4.694 -16.364 -10.428 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -4.237 -15.337 -11.442 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -2.412 -21.090 -11.010 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -2.685 -21.515 -11.823 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -2.372 -20.159 -11.227 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -6.834 -24.816 7.481 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -6.642 -25.747 7.370 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -5.977 -24.391 7.471 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.412 -28.531 7.289 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -6.509 -29.483 7.283 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -6.734 -28.262 8.150 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -3.254 -18.478 7.451 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -4.120 -18.583 7.845 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -2.878 -17.719 7.898 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -1.953 -20.221 -7.035 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -1.103 -19.800 -6.907 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -1.948 -20.961 -6.427 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -1.559 -22.168 -5.211 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -2.285 -22.647 -4.813 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -0.978 -21.962 -4.479 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -1.291 -22.267 -8.820 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -1.812 -21.910 -9.539 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -1.324 -21.592 -8.142 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -2.942 -25.027 -10.269 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -2.845 -24.360 -10.949 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -3.082 -25.843 -10.751 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -3.772 -23.647 -4.648 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -3.922 -24.592 -4.668 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -4.126 -23.366 -3.804 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -2.916 -21.677 4.991 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -2.333 -22.411 5.182 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -2.352 -20.905 5.037 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -1.419 -23.774 5.675 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -2.282 -24.153 5.510 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -0.815 -24.513 5.601 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -4.062 -26.064 -6.186 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -3.782 -26.971 -6.061 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -3.303 -25.630 -6.575 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -3.421 -24.746 2.026 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -4.264 -24.478 2.392 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -2.978 -23.924 1.815 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -1.618 -28.657 5.729 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -2.535 -28.386 5.693 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -1.495 -29.192 4.945 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -4.530 -13.745 -4.537 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -3.877 -14.092 -5.145 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -4.019 -13.256 -3.891 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -4.045 -31.011 -2.017 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -3.441 -30.463 -2.518 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -4.914 -30.691 -2.257 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -6.724 -30.527 -2.845 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -6.648 -30.432 -3.794 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -7.000 -31.435 -2.716 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -2.550 -13.965 -6.529 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -2.744 -14.713 -7.094 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -2.589 -13.207 -7.113 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -6.508 -31.287 6.928 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -6.432 -31.713 7.782 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -5.615 -31.273 6.586 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -7.782 -21.328 14.507 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -7.693 -20.384 14.375 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -8.421 -21.603 13.849 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -8.849 -22.073 17.926 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -8.887 -22.719 18.631 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -9.172 -22.539 17.155 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.143 -19.134 16.228 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -5.584 -19.854 16.678 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -5.156 -18.413 16.858 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -8.032 -14.029 16.440 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -7.412 -14.706 16.167 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -8.240 -14.247 17.348 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -14.164 -27.145 15.932 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -14.121 -26.285 15.514 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -14.622 -27.697 15.299 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -12.388 -23.198 15.910 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -11.772 -23.724 16.419 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -12.974 -23.838 15.506 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -11.328 -30.921 17.459 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -11.445 -31.870 17.405 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -12.183 -30.589 17.732 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -6.379 -15.513 15.201 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -5.954 -16.220 14.716 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -6.062 -14.712 14.784 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -5.220 -17.612 13.710 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -5.477 -18.302 13.098 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -5.149 -18.055 14.555 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -9.061 -22.084 11.959 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -9.773 -21.549 11.608 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -8.370 -22.028 11.299 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -5.655 -21.874 12.911 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -6.387 -21.646 13.484 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -5.208 -22.588 13.366 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -7.334 -16.972 19.161 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -7.575 -16.310 19.809 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -7.532 -17.806 19.586 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -12.763 -18.076 23.144 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -13.075 -17.294 23.600 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -13.413 -18.229 22.458 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -6.784 -22.712 10.596 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -6.205 -22.562 11.343 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -6.370 -22.241 9.873 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -1.896 -16.596 8.786 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -1.823 -15.657 8.956 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -0.991 -16.901 8.729 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -10.000 -16.791 22.640 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -9.913 -15.965 23.115 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -10.864 -17.121 22.889 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -9.586 -13.019 12.446 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -9.661 -13.140 11.500 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -9.553 -12.069 12.565 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.815 -13.939 12.198 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -7.750 -13.839 12.377 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -6.535 -14.648 12.776 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -14.059 -30.018 18.237 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -14.920 -30.105 17.829 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -14.081 -29.162 18.664 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -9.396 -30.296 21.611 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -8.976 -30.711 22.364 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -10.329 -30.474 21.728 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -5.307 -21.679 8.226 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -5.265 -21.902 7.296 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -4.458 -21.281 8.416 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -9.734 -27.803 8.896 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -9.988 -27.784 9.819 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -9.991 -28.675 8.595 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -13.968 -25.052 19.332 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -14.610 -25.093 20.041 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -13.931 -24.126 19.094 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -13.971 -24.831 14.244 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -14.864 -25.172 14.185 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -13.520 -25.208 13.488 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -8.435 -24.415 13.061 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -8.844 -23.600 12.769 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -7.715 -24.555 12.446 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -9.333 -24.240 24.549 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -9.896 -24.944 24.869 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -8.507 -24.360 25.016 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -8.167 -23.331 20.546 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -7.843 -23.962 19.903 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -8.607 -23.866 21.207 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -11.389 -27.404 15.330 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -12.300 -27.347 15.619 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -10.884 -27.464 16.141 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -12.908 -25.775 11.813 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -11.976 -25.646 11.991 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -13.123 -25.105 11.164 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -10.069 -24.616 17.217 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -9.505 -25.163 16.670 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -10.217 -25.138 18.006 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -15.067 -28.480 13.635 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -15.384 -29.382 13.600 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -14.286 -28.478 13.083 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -11.443 -26.228 19.631 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -12.278 -25.774 19.741 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -10.919 -25.952 20.383 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -7.001 -27.201 9.515 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -7.939 -27.089 9.364 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -6.704 -26.344 9.821 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -9.379 -19.831 22.553 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -9.725 -20.212 23.359 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -9.579 -18.897 22.624 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -6.283 -25.334 11.176 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -5.391 -25.471 11.495 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -6.226 -24.543 10.639 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -11.749 -22.742 24.613 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -12.045 -22.908 23.718 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -10.818 -22.962 24.603 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -11.457 -15.390 20.381 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -11.094 -14.535 20.148 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -10.925 -15.682 21.122 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -7.913 -19.291 20.082 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -8.339 -19.518 20.908 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -7.332 -20.029 19.899 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -10.413 -26.385 12.780 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -9.601 -25.881 12.826 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -10.658 -26.530 13.694 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -9.877 -25.399 21.965 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -9.758 -24.825 22.722 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -9.222 -26.087 22.080 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -11.708 -20.034 25.133 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -12.036 -19.763 24.275 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -11.556 -20.975 25.045 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -5.973 -20.118 22.516 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -5.228 -19.530 22.396 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -6.730 -19.536 22.579 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -8.564 -21.324 25.772 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -7.611 -21.240 25.744 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -8.724 -22.035 26.391 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -2.412 -21.090 7.846 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -2.685 -21.515 7.033 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -2.372 -20.159 7.629 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -12.832 -28.070 21.069 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -12.296 -27.619 20.417 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -13.684 -28.178 20.647 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -11.250 -22.631 21.309 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -10.499 -22.787 20.736 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -11.589 -21.779 21.033 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -12.026 -30.614 21.501 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -12.124 -29.667 21.395 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -12.769 -30.986 21.025 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -10.762 -26.292 25.064 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -10.998 -26.512 25.966 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -11.545 -26.499 24.555 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -11.804 -31.320 24.172 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -11.092 -31.960 24.158 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -11.905 -31.053 23.258 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -11.451 -29.637 26.226 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -11.582 -30.113 25.405 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -12.050 -28.893 26.170 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -3.254 -18.478 26.307 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -4.120 -18.583 26.701 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -2.878 -17.719 26.754 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -1.953 -20.221 11.821 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -1.103 -19.800 11.949 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -1.948 -20.961 12.429 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -1.559 -22.168 13.645 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -2.285 -22.647 14.043 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -0.978 -21.962 14.377 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -1.291 -22.267 10.036 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -1.812 -21.910 9.317 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -1.324 -21.592 10.714 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -2.942 -25.027 8.587 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -2.845 -24.360 7.907 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -3.082 -25.843 8.105 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -3.772 -23.647 14.208 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -3.922 -24.592 14.188 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.126 -23.366 15.052 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -3.694 -27.619 7.704 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -3.084 -27.991 8.341 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -4.531 -28.041 7.900 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -4.530 -13.745 14.319 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -3.877 -14.092 13.711 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -4.019 -13.256 14.965 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -9.880 -14.442 24.080 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -9.695 -14.776 24.958 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -9.033 -14.133 23.758 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -9.611 -13.097 19.374 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -10.068 -12.568 18.720 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -9.448 -12.494 20.099 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -12.281 -30.557 14.362 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -11.407 -30.169 14.332 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -12.417 -30.772 15.285 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -11.137 -28.477 11.252 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -10.959 -29.123 11.935 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -11.191 -27.643 11.719 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -2.550 -13.965 12.327 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -2.744 -14.713 11.762 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -2.589 -13.207 11.743 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -7.782 -21.328 33.363 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -7.693 -20.384 33.231 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -8.421 -21.603 32.705 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -6.442 -27.014 33.189 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -5.796 -27.343 33.814 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -5.932 -26.496 32.566 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -7.985 -18.727 32.406 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -8.281 -19.049 31.555 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -8.309 -17.827 32.448 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -4.678 -27.723 35.170 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -4.893 -28.489 35.702 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -4.022 -27.251 35.683 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -9.061 -22.084 30.815 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -9.773 -21.549 30.464 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -8.370 -22.028 30.155 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -5.655 -21.874 31.767 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -6.387 -21.646 32.340 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -5.208 -22.588 32.222 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -3.086 -30.962 29.265 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -3.985 -30.823 29.560 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -2.834 -30.131 28.863 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -1.896 -16.596 27.642 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -1.823 -15.657 27.812 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -0.991 -16.901 27.585 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -6.484 -13.865 28.305 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -6.109 -14.609 27.834 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -6.480 -14.135 29.223 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -6.815 -13.939 31.054 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -7.750 -13.839 31.233 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -6.535 -14.648 31.632 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -9.734 -27.803 27.752 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -9.988 -27.784 28.675 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -9.991 -28.675 27.451 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -8.435 -24.415 31.917 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -8.844 -23.600 31.625 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -7.715 -24.555 31.302 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -7.431 -24.969 34.731 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -7.626 -24.364 34.016 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -7.249 -25.803 34.296 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -12.852 -27.358 26.853 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -13.283 -27.803 27.583 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -13.570 -26.986 26.341 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -12.908 -25.775 30.669 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -11.976 -25.646 30.847 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -13.123 -25.105 30.020 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -10.899 -20.015 30.172 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -11.643 -20.522 29.849 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -11.033 -19.966 31.118 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -8.773 -18.556 29.197 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -9.068 -17.730 29.579 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -9.476 -19.176 29.393 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -3.102 -16.338 30.191 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -3.475 -17.164 30.501 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -2.825 -16.521 29.294 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -5.710 -18.362 28.012 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -5.357 -18.742 28.816 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -6.659 -18.455 28.098 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -1.206 -13.882 28.213 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -0.463 -13.296 28.073 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -1.901 -13.314 28.546 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -4.844 -19.689 30.238 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -5.121 -20.417 30.794 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -3.917 -19.570 30.444 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -11.619 -17.250 26.459 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -11.380 -17.998 25.911 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -11.888 -17.638 27.291 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -7.613 -28.113 30.801 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -7.393 -27.641 29.998 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -7.055 -27.718 31.472 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -9.944 -15.982 29.664 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -10.761 -15.485 29.717 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -9.415 -15.507 29.024 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -10.413 -26.385 31.636 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -9.601 -25.881 31.682 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -10.658 -26.530 32.550 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -9.529 -29.304 32.574 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -9.876 -28.686 33.219 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -8.871 -28.803 32.093 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -5.071 -23.741 35.752 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -5.868 -24.156 35.423 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -4.626 -24.432 36.243 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -9.581 -15.387 26.597 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -10.225 -16.018 26.919 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -8.819 -15.918 26.365 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -8.670 -18.613 26.424 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -8.938 -18.433 27.325 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -8.876 -19.539 26.293 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -12.873 -21.688 28.994 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -13.332 -22.172 29.680 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -12.618 -22.356 28.358 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -11.802 -23.445 27.257 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -11.982 -23.599 26.329 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -10.851 -23.337 27.301 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -11.904 -12.754 28.258 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -10.971 -12.596 28.402 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -12.168 -12.079 27.633 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -1.953 -20.221 30.677 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -1.103 -19.800 30.805 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -1.948 -20.961 31.285 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -1.559 -22.168 32.501 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -2.285 -22.647 32.899 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -0.978 -21.962 33.233 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -3.772 -23.647 33.064 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -3.922 -24.592 33.044 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -4.126 -23.366 33.908 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -3.448 -28.801 31.575 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -3.266 -29.250 32.400 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -4.048 -29.386 31.111 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -2.318 -29.872 34.029 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -1.706 -30.386 33.502 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -1.935 -28.994 34.052 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.371 -30.501 30.560 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -6.074 -29.887 30.350 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -5.816 -31.339 30.691 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -11.137 -28.477 30.108 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -10.959 -29.123 30.791 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -11.191 -27.643 30.575 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -9.259 -13.528 28.503 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -8.393 -13.162 28.325 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -9.506 -13.968 27.690 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -2.550 -13.965 31.183 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -2.744 -14.713 30.618 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -2.589 -13.207 30.599 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -1.797 -9.183 -18.519 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -1.748 -8.573 -17.783 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -1.371 -8.722 -19.242 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -1.405 -7.705 -16.283 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -2.094 -7.047 -16.378 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -1.390 -7.902 -15.346 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -3.534 -0.190 -15.525 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -3.394 -0.781 -16.264 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -3.366 0.683 -15.881 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.692 -3.850 -17.459 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.344 -3.155 -17.370 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -1.227 -3.640 -18.269 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -0.979 2.491 -13.948 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -1.028 1.536 -13.985 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -1.805 2.759 -13.546 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -3.827 -6.016 -13.468 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -4.234 -5.535 -14.188 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -3.786 -6.921 -13.775 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -3.749 -2.026 -17.610 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -3.107 -1.569 -18.153 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -4.579 -1.913 -18.072 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -1.434 -0.468 -14.005 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -2.286 -0.230 -14.372 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -0.844 -0.485 -14.758 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -1.800 -0.527 -19.119 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -0.966 -0.905 -19.400 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -1.688 0.416 -19.238 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -2.916 -2.821 -13.865 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -2.333 -3.555 -13.674 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -2.352 -2.049 -13.819 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -1.419 -4.918 -13.181 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -2.282 -5.297 -13.346 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -0.815 -5.657 -13.255 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -3.421 -5.890 -16.830 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -4.264 -5.622 -16.464 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -2.978 -5.068 -17.041 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -1.138 -11.910 -11.476 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -0.788 -12.564 -12.082 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -0.991 -11.073 -11.916 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -1.618 -9.801 -13.127 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -2.535 -9.530 -13.163 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -1.495 -10.336 -13.911 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -3.086 -12.106 -8.447 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -3.985 -11.967 -8.152 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -2.834 -11.275 -8.849 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -2.412 -2.234 -11.010 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -2.685 -2.659 -11.823 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -2.372 -1.303 -11.227 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -1.291 -3.411 -8.820 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -1.812 -3.054 -9.539 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -1.324 -2.736 -8.142 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -2.942 -6.171 -10.269 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -2.845 -5.504 -10.949 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -3.082 -6.987 -10.751 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -1.582 -9.878 -9.609 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -1.169 -10.599 -10.085 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -0.900 -9.208 -9.551 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -7.782 -2.472 14.507 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -7.693 -1.528 14.375 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -8.421 -2.747 13.849 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -8.849 -3.217 17.926 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -8.887 -3.863 18.631 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -9.172 -3.683 17.155 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -5.143 -0.278 16.228 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -5.584 -0.998 16.678 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -5.156 0.443 16.858 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -7.319 -6.390 18.660 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -7.176 -7.337 18.680 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -7.425 -6.183 17.731 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -11.328 -12.065 17.459 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -11.445 -13.014 17.405 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -12.183 -11.733 17.732 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -1.692 -3.850 20.253 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -2.344 -3.155 20.342 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -1.227 -3.640 19.443 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -5.655 -3.018 12.911 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -6.387 -2.790 13.484 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -5.208 -3.732 13.366 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -5.758 -4.844 21.979 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -5.678 -4.081 22.551 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -6.359 -4.565 21.288 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -6.784 -3.856 10.596 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -6.205 -3.706 11.343 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -6.370 -3.385 9.873 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.086 -12.106 10.409 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -3.985 -11.967 10.704 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -2.834 -11.275 10.007 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -3.827 -6.016 24.244 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -4.234 -5.535 23.524 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -3.786 -6.921 23.937 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -9.396 -11.440 21.611 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -8.976 -11.855 22.364 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -10.329 -11.618 21.728 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -6.070 -7.684 22.465 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.584 -7.810 23.262 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -6.225 -6.772 22.220 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -8.435 -5.559 13.061 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -8.844 -4.744 12.769 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -7.715 -5.699 12.446 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -7.431 -6.113 15.875 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -7.626 -5.508 15.160 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -7.249 -6.947 15.440 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -8.167 -4.475 20.546 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -7.843 -5.106 19.903 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -8.607 -5.010 21.207 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -11.389 -8.548 15.330 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -12.300 -8.491 15.619 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -10.884 -8.608 16.141 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -10.069 -5.760 17.217 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -9.505 -6.307 16.670 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -10.217 -6.282 18.006 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -11.443 -7.372 19.631 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -12.278 -6.918 19.741 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -10.919 -7.096 20.383 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -3.749 -2.026 20.102 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.107 -1.569 19.559 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -4.579 -1.913 19.640 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -7.001 -8.345 9.515 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -7.939 -8.233 9.364 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -6.704 -7.488 9.821 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -6.283 -6.478 11.176 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -5.391 -6.615 11.495 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -6.226 -5.687 10.639 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -1.398 -6.268 10.870 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -1.952 -6.664 10.198 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -1.297 -5.358 10.593 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -5.942 -2.674 18.357 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -6.870 -2.906 18.330 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -5.491 -3.451 18.027 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -8.397 -8.909 20.848 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -7.699 -8.835 21.498 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -8.778 -9.773 21.003 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -7.613 -9.257 11.945 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -7.393 -8.785 11.142 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -7.055 -8.862 12.616 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -10.413 -7.529 12.780 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -9.601 -7.025 12.826 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -10.658 -7.674 13.694 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -9.877 -6.543 21.965 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -9.758 -5.969 22.722 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -9.222 -7.231 22.080 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -9.529 -10.448 13.718 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -9.876 -9.830 14.363 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -8.871 -9.947 13.237 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -5.973 -1.262 22.516 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -5.228 -0.674 22.396 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -6.730 -0.680 22.579 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -6.834 -5.960 26.337 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -6.642 -6.891 26.226 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -5.977 -5.535 26.327 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -12.026 -11.758 21.501 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -12.124 -10.811 21.395 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -12.769 -12.130 21.025 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -8.046 -8.309 24.140 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -8.994 -8.277 24.272 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -7.734 -8.934 24.794 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -6.412 -9.675 26.145 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -6.509 -10.627 26.139 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -6.734 -9.406 27.006 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -11.804 -12.464 24.172 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -11.092 -13.104 24.158 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -11.905 -12.197 23.258 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -11.451 -10.781 26.226 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -11.582 -11.257 25.405 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -12.050 -10.037 26.170 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -1.953 -1.365 11.821 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -1.103 -0.944 11.949 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -1.948 -2.105 12.429 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -1.559 -3.312 13.645 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -2.285 -3.791 14.043 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -0.978 -3.106 14.377 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -1.800 -0.527 18.593 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -0.966 -0.905 18.312 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -1.688 0.416 18.474 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -2.916 -2.821 23.847 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -2.333 -3.555 24.038 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -2.352 -2.049 23.893 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -1.419 -4.918 24.531 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -2.282 -5.297 24.366 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -0.815 -5.657 24.457 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -4.062 -7.208 12.670 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -3.782 -8.115 12.795 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -3.303 -6.774 12.281 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -3.448 -9.945 12.719 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -3.266 -10.394 13.544 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -4.048 -10.530 12.255 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -1.582 -9.878 9.247 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -1.169 -10.599 8.771 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -0.900 -9.208 9.305 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -9.187 -10.262 16.727 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -9.862 -10.891 16.982 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -8.623 -10.746 16.124 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -5.371 -11.645 11.704 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -6.074 -11.031 11.494 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -5.816 -12.483 11.835 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -3.086 -12.106 29.265 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -3.985 -11.967 29.560 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -2.834 -11.275 28.863 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -9.734 -8.947 27.752 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -9.988 -8.928 28.675 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -9.991 -9.819 27.451 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -7.001 -8.345 28.371 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -7.939 -8.233 28.220 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -6.704 -7.488 28.677 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -2.942 -6.171 27.443 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -2.845 -5.504 26.763 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -3.082 -6.987 26.961 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -3.694 -8.763 26.560 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -3.084 -9.135 27.197 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -4.531 -9.185 26.756 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -1.582 -9.878 28.103 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -1.169 -10.599 27.627 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -0.900 -9.208 28.161 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -5.371 -11.645 30.560 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -6.074 -11.031 30.350 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -5.816 -12.483 30.691 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 6.093 -55.788 -14.568 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 5.781 -55.006 -14.112 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 5.443 -55.941 -15.254 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 4.332 -53.716 -13.804 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 4.340 -53.852 -14.752 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 3.416 -53.834 -13.552 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 8.856 -54.503 -15.072 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 8.943 -53.677 -14.597 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 7.992 -54.833 -14.823 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 15.159 -50.209 -12.841 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 15.359 -49.785 -13.676 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 15.815 -49.866 -12.234 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 11.727 -55.081 -15.209 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 10.826 -54.898 -15.477 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 11.761 -54.822 -14.288 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 7.399 -53.102 -17.331 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 7.762 -52.247 -17.564 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 7.931 -53.394 -16.590 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 13.602 -52.451 -15.161 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 13.000 -53.006 -15.656 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 13.883 -51.784 -15.787 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 0.586 -51.526 -12.966 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 1.126 -51.743 -12.207 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 0.105 -52.332 -13.156 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 11.760 -54.227 -12.617 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 11.409 -55.083 -12.374 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 12.486 -54.084 -12.010 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 7.148 -57.746 -12.579 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 6.820 -57.475 -13.437 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 7.300 -58.687 -12.667 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 -0.831 -50.437 -23.750 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 -1.478 -50.899 -24.283 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -0.476 -51.109 -23.167 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 15.602 -56.190 -11.405 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 14.736 -56.295 -11.011 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 15.978 -55.431 -10.958 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 4.665 -53.553 -16.591 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 4.240 -52.744 -16.874 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 5.570 -53.468 -16.893 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 11.321 -50.869 -14.388 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 11.998 -51.501 -14.628 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 11.643 -50.467 -13.580 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 2.067 -50.297 -16.544 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 1.347 -49.857 -16.995 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 1.701 -50.548 -15.695 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 4.534 -50.697 -17.514 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 3.669 -50.625 -17.110 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 4.479 -50.150 -18.298 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 9.245 -50.809 -18.338 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 8.788 -50.280 -18.992 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 9.408 -50.206 -17.613 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 11.572 -51.931 -17.393 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 10.668 -51.766 -17.659 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 12.001 -51.078 -17.459 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 14.177 -50.361 -17.098 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 13.995 -49.445 -17.309 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 14.353 -50.771 -17.945 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 1.482 -51.674 -19.633 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 1.463 -52.099 -18.776 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 2.287 -51.992 -20.042 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 15.524 -52.926 -13.235 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 14.742 -53.112 -13.755 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 15.452 -51.997 -13.018 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 11.074 -59.040 -4.349 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 11.163 -58.096 -4.481 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 10.435 -59.315 -5.007 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 2.375 -60.170 0.663 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 2.417 -60.796 1.387 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 3.078 -59.547 0.845 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 0.619 -59.898 -3.283 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 0.833 -60.668 -2.756 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 1.357 -59.809 -3.886 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 11.537 -62.958 -0.196 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 11.680 -63.905 -0.176 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 11.431 -62.751 -1.125 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 1.312 -62.460 -2.162 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 1.966 -63.010 -1.730 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 1.336 -62.734 -3.078 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 6.468 -60.910 -2.946 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 7.084 -61.436 -2.437 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 5.882 -61.550 -3.350 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 0.600 -56.628 -6.993 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 0.328 -56.399 -7.882 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 0.645 -55.790 -6.533 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 9.795 -59.796 -6.897 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 9.083 -59.261 -7.248 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 10.486 -59.740 -7.557 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 17.164 -60.418 1.397 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 16.512 -59.723 1.486 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 17.629 -60.208 0.587 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 13.201 -59.586 -5.945 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 12.469 -59.358 -5.372 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 13.648 -60.300 -5.490 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 13.098 -61.412 3.123 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 13.178 -60.649 3.695 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 12.497 -61.133 2.432 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 4.846 -58.956 -4.062 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 4.516 -59.326 -4.881 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 5.434 -59.626 -3.716 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 5.213 -60.187 -0.429 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 5.778 -60.066 -1.192 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 5.532 -59.550 0.210 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 12.072 -60.424 -8.260 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 12.651 -60.274 -7.513 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 12.486 -59.953 -8.983 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 3.013 -59.590 3.517 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 3.083 -58.939 4.215 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 2.122 -59.487 3.182 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 3.836 -59.886 -6.473 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 3.544 -59.118 -6.964 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 3.162 -60.546 -6.636 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 16.960 -54.308 -10.070 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 17.033 -53.369 -9.900 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 17.865 -54.613 -10.127 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 12.372 -51.577 -9.407 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 12.747 -52.321 -9.878 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 12.376 -51.847 -8.489 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 15.029 -62.584 5.388 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 14.622 -62.103 4.668 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 15.070 -63.489 5.081 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 12.786 -64.252 3.609 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 12.272 -64.378 4.406 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 12.631 -63.340 3.364 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 13.549 -59.391 -10.630 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 13.591 -59.614 -11.560 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 14.398 -58.993 -10.440 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 4.888 -62.764 0.476 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 4.246 -62.805 1.185 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 4.925 -61.838 0.238 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 4.885 -62.543 -4.612 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 3.992 -62.884 -4.671 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 5.336 -62.920 -5.368 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 9.523 -61.952 5.693 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 8.960 -62.656 6.013 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 10.349 -62.072 6.160 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 11.425 -62.681 -2.981 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 11.230 -62.076 -3.696 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 11.607 -63.515 -3.416 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 2.638 -62.444 2.343 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 2.600 -62.044 3.211 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 2.147 -63.261 2.433 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 8.787 -62.328 -1.639 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 9.351 -62.875 -2.186 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 8.639 -62.850 -0.850 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 7.413 -63.940 0.775 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 6.578 -63.486 0.885 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 7.937 -63.664 1.527 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 7.957 -57.727 -7.540 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 7.213 -58.234 -7.863 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 7.823 -57.678 -6.594 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 10.083 -56.268 -8.515 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 9.788 -55.442 -8.133 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 9.380 -56.888 -8.319 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 7.107 -60.454 5.757 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 6.811 -60.620 4.862 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 8.038 -60.674 5.747 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 13.146 -56.074 -9.700 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 13.499 -56.454 -8.896 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 12.197 -56.167 -9.614 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 17.650 -51.594 -9.499 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 18.393 -51.008 -9.639 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 16.955 -51.026 -9.166 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 14.012 -57.401 -7.474 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 13.735 -58.129 -6.918 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 14.939 -57.282 -7.268 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 7.237 -54.962 -11.253 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 7.476 -55.710 -11.801 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 6.968 -55.350 -10.421 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 6.174 -55.392 -8.797 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 6.321 -55.912 -8.007 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 6.171 -54.485 -8.491 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 2.627 -58.139 -8.287 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 1.941 -57.787 -7.720 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 3.150 -57.376 -8.533 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 10.459 -65.477 1.992 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 11.157 -65.403 2.642 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 10.078 -66.341 2.147 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 8.912 -53.694 -8.048 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 8.095 -53.197 -7.995 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 9.441 -53.219 -8.688 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 8.979 -63.111 3.109 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 9.098 -62.537 3.866 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 9.634 -63.799 3.224 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 6.250 -52.651 -8.066 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 6.411 -51.851 -8.567 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 6.053 -52.344 -7.181 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 13.785 -61.453 -1.960 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 12.988 -61.868 -2.289 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 14.230 -62.144 -1.469 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 3.243 -55.525 -9.390 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 3.835 -54.826 -9.114 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 3.702 -55.958 -10.109 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 11.760 -54.227 6.239 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 11.409 -55.083 6.482 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 12.486 -54.084 6.846 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 13.879 -53.282 -10.881 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 14.162 -54.076 -10.428 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 14.619 -53.049 -11.442 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 4.834 -57.372 -11.024 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 4.898 -58.166 -10.493 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 5.487 -57.491 -11.713 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 10.186 -56.325 -11.288 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 9.918 -56.145 -10.387 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 9.980 -57.251 -11.419 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 1.325 -60.516 6.264 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 1.733 -61.373 6.143 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 1.065 -60.501 7.185 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 5.983 -59.400 -8.718 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 5.524 -59.884 -8.032 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 6.238 -60.068 -9.354 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 5.272 -61.507 3.638 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 4.654 -60.832 3.919 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 5.616 -61.186 2.805 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 10.292 -59.036 6.916 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 11.245 -58.952 6.888 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 10.132 -59.747 7.535 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 7.606 -60.343 2.453 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 8.357 -60.499 1.880 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 7.267 -59.491 2.177 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 13.338 -59.739 5.559 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 13.057 -59.030 4.981 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 14.281 -59.812 5.408 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 4.090 -62.954 6.632 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 3.323 -63.486 6.422 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 4.769 -63.264 6.033 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 0.520 -55.830 -9.971 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 1.434 -55.751 -9.698 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 0.527 -56.517 -10.638 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 16.903 -57.933 -7.035 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 17.753 -57.512 -6.907 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 16.908 -58.673 -6.427 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 17.297 -59.880 -5.211 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 16.571 -60.359 -4.813 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 17.878 -59.674 -4.479 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 15.084 -61.359 -4.648 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 14.934 -62.304 -4.668 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 14.730 -61.078 -3.804 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 0.119 -59.281 -0.638 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 0.303 -59.363 -1.573 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 0.968 -59.405 -0.214 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 15.940 -59.389 4.991 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 16.523 -60.123 5.182 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 16.504 -58.617 5.037 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 17.437 -61.486 5.675 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 16.574 -61.865 5.510 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 18.041 -62.225 5.601 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 15.406 -63.195 -0.750 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 16.339 -62.983 -0.784 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 15.171 -63.093 0.173 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 15.435 -62.458 2.026 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 14.592 -62.190 2.392 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 15.878 -61.636 1.815 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 -0.283 -64.010 5.503 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 0.636 -64.132 5.739 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 -0.733 -64.760 5.892 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 -0.758 -62.699 -0.537 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 -0.266 -62.920 -1.327 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 -0.396 -61.858 -0.256 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 2.551 -51.530 -10.581 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 2.283 -51.243 -9.708 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 3.322 -52.076 -10.429 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 11.074 -59.040 14.507 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 11.163 -58.096 14.375 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 10.435 -59.315 13.849 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 10.007 -59.785 17.926 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 9.969 -60.431 18.631 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 9.684 -60.251 17.155 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 2.375 -60.170 19.519 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 2.417 -60.796 20.243 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 3.078 -59.547 19.701 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 13.713 -56.846 16.228 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 13.272 -57.566 16.678 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 13.700 -56.125 16.858 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 0.619 -59.898 15.573 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 0.833 -60.668 16.100 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 1.357 -59.809 14.970 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 8.396 -57.352 18.332 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 8.700 -58.038 17.738 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 9.118 -57.234 18.950 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 10.871 -56.439 13.550 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 10.575 -56.761 12.699 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 10.547 -55.539 13.592 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 6.071 -58.263 20.294 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 5.331 -57.665 20.397 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 6.785 -57.709 19.978 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 4.479 -56.299 21.081 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 4.473 -55.420 20.703 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 3.625 -56.382 21.506 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 0.600 -56.628 11.863 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 0.328 -56.399 10.974 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 0.645 -55.790 12.323 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 13.636 -55.324 13.710 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 13.379 -56.014 13.098 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 13.707 -55.767 14.555 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 15.322 -56.758 22.187 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 15.462 -57.349 21.448 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 15.490 -55.885 21.831 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 9.795 -59.796 11.959 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 9.083 -59.261 11.608 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 10.486 -59.740 11.299 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 9.849 -61.338 8.998 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 10.550 -61.316 9.649 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 10.151 -61.966 8.342 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 4.846 -58.956 14.794 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 4.516 -59.326 13.975 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 5.434 -59.626 15.140 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 6.093 -55.788 23.144 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 5.781 -55.006 23.600 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 5.443 -55.941 22.458 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 12.072 -60.424 10.596 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 12.651 -60.274 11.343 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 12.486 -59.953 9.873 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 4.332 -53.716 23.908 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 4.340 -53.852 22.960 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 3.416 -53.834 24.160 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 3.836 -59.886 12.383 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 3.544 -59.118 11.892 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 3.162 -60.546 12.220 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 -0.071 -57.523 21.198 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 -0.572 -57.551 20.383 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 -0.065 -58.429 21.508 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 17.877 -54.077 23.764 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 17.828 -55.032 23.727 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 17.051 -53.809 24.166 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 8.856 -54.503 22.640 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 8.943 -53.677 23.115 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 7.992 -54.833 22.889 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 12.372 -51.577 9.449 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 12.747 -52.321 8.978 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 12.376 -51.847 10.367 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 12.041 -51.651 12.198 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 11.106 -51.551 12.377 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 12.321 -52.360 12.776 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 2.178 -56.200 22.241 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 2.395 -56.561 23.101 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 1.323 -56.574 22.031 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 13.549 -59.391 8.226 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 13.591 -59.614 7.296 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 14.398 -58.993 8.416 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 4.622 -62.292 9.380 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 4.080 -62.672 8.689 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 5.456 -62.098 8.951 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 15.159 -50.209 24.871 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 15.359 -49.785 24.036 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 15.815 -49.866 25.478 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 15.107 -58.594 20.102 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 15.749 -58.137 19.559 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 14.277 -58.481 19.640 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 9.477 -57.543 22.553 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 9.131 -57.924 23.359 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 9.277 -56.609 22.624 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 3.082 -58.432 17.085 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 3.827 -58.434 16.484 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 3.160 -59.256 17.567 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 10.083 -56.268 10.341 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 9.788 -55.442 10.723 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 9.380 -56.888 10.537 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 11.727 -55.081 22.503 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 10.826 -54.898 22.235 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 11.761 -54.822 23.424 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 15.754 -54.050 11.335 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 15.381 -54.876 11.645 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 16.031 -54.233 10.438 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 12.914 -59.242 18.357 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 11.986 -59.474 18.330 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 13.365 -60.019 18.027 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 1.212 -60.052 9.077 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 1.828 -59.425 9.456 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 0.350 -59.736 9.348 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 6.884 -57.251 14.066 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 6.643 -56.326 14.108 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 6.144 -57.710 14.462 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 10.943 -57.003 20.082 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 10.517 -57.230 20.908 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 11.524 -57.741 19.899 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 13.146 -56.074 9.156 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 13.499 -56.454 9.960 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 12.197 -56.167 9.242 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 17.650 -51.594 9.357 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 18.393 -51.008 9.217 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 16.955 -51.026 9.690 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 14.012 -57.401 11.382 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 13.735 -58.129 11.938 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 14.939 -57.282 11.588 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 1.375 -53.413 20.393 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 1.592 -54.345 20.362 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 1.622 -53.139 21.277 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 2.627 -58.139 10.569 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 1.941 -57.787 11.136 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 3.150 -57.376 10.323 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 1.559 -62.861 8.582 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 1.514 -61.922 8.761 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 0.671 -63.097 8.312 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 0.586 -51.526 24.746 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 1.126 -51.743 25.505 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 0.105 -52.332 24.556 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 5.183 -52.607 26.366 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 5.951 -53.066 26.707 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 5.162 -52.833 25.436 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 11.760 -54.227 25.095 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 11.409 -55.083 25.338 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 12.486 -54.084 25.702 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 10.186 -56.325 7.568 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 9.918 -56.145 8.469 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 9.980 -57.251 7.437 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 12.883 -57.830 22.516 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 13.628 -57.242 22.396 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 12.126 -57.248 22.579 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 5.983 -59.400 10.138 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 5.524 -59.884 10.824 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 6.238 -60.068 9.502 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 7.054 -61.157 8.401 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 6.874 -61.311 7.473 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 8.005 -61.049 8.445 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 16.444 -58.802 7.846 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 16.171 -59.227 7.033 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 16.484 -57.871 7.629 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 17.588 -51.547 18.747 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 17.566 -51.362 19.686 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 18.278 -50.978 18.406 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 17.151 -51.980 21.669 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 16.664 -52.715 21.298 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 17.700 -52.373 22.347 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 16.903 -57.933 11.821 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 17.753 -57.512 11.949 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 16.908 -58.673 12.429 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 17.056 -57.095 18.593 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 17.890 -57.473 18.312 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 17.168 -56.152 18.474 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 15.543 -54.217 20.900 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 14.895 -53.892 21.525 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 15.025 -54.657 20.225 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 17.565 -59.979 10.036 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 17.044 -59.622 9.317 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 17.532 -59.304 10.714 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 15.914 -62.739 8.587 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 16.011 -62.072 7.907 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 15.774 -63.555 8.105 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 0.119 -59.281 18.218 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 0.303 -59.363 17.283 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 0.968 -59.405 18.642 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 14.326 -51.457 14.319 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 14.979 -51.804 13.711 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 14.837 -50.968 14.965 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 8.976 -52.154 24.080 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 9.161 -52.488 24.958 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 9.823 -51.845 23.758 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 16.306 -51.677 12.327 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 16.112 -52.425 11.762 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 16.267 -50.919 11.743 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 15.524 -52.926 24.477 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 14.742 -53.112 23.957 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 15.452 -51.997 24.694 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 9.275 -53.099 26.597 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 8.631 -53.730 26.919 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 10.037 -53.630 26.365 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 13.879 -53.282 26.831 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 14.162 -54.076 27.284 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 14.619 -53.049 26.270 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 6.952 -50.466 28.258 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 7.885 -50.308 28.402 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 6.688 -49.791 27.633 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 2.551 -51.530 27.131 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 2.283 -51.243 28.004 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 3.322 -52.076 27.283 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 3.299 -36.864 -19.658 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 2.929 -37.666 -20.027 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 4.240 -37.033 -19.611 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 -0.091 -43.204 -24.265 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 -0.539 -42.358 -24.283 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 -0.652 -43.784 -24.780 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 8.396 -38.496 -19.380 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 8.700 -39.182 -19.974 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 9.118 -38.378 -18.762 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 17.059 -46.895 -18.519 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 17.108 -46.285 -17.783 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 17.485 -46.434 -19.242 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 11.537 -44.102 -19.052 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 11.680 -45.049 -19.032 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 11.431 -43.895 -19.981 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 4.692 -46.001 -21.780 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 4.735 -45.141 -22.198 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 4.234 -46.553 -22.413 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 6.468 -42.054 -21.802 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 7.084 -42.580 -21.293 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 5.882 -42.694 -22.206 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 17.451 -45.417 -16.283 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 16.762 -44.759 -16.378 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 17.466 -45.614 -15.346 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 6.071 -39.407 -17.418 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 5.331 -38.809 -17.315 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 6.785 -38.853 -17.734 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 4.479 -37.443 -16.631 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 4.473 -36.564 -17.009 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 3.625 -37.526 -16.206 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 14.525 -47.864 -17.719 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 13.789 -47.253 -17.757 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 15.209 -47.449 -18.245 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 15.322 -37.902 -15.525 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 15.462 -38.493 -16.264 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 15.490 -37.029 -15.881 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 17.164 -41.562 -17.459 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 16.512 -40.867 -17.370 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 17.629 -41.352 -18.269 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 13.098 -42.556 -15.733 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 13.178 -41.793 -15.161 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 12.497 -42.277 -16.424 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 4.846 -40.100 -22.918 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 4.516 -40.470 -23.737 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 5.434 -40.770 -22.572 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 6.213 -36.672 -20.237 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 6.118 -37.250 -20.994 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 6.942 -37.043 -19.741 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 6.093 -36.932 -14.568 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 5.781 -36.150 -14.112 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 5.443 -37.085 -15.254 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 3.836 -41.030 -25.329 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 3.544 -40.262 -25.820 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 3.162 -41.690 -25.492 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 -0.320 -35.887 -19.630 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 0.626 -36.031 -19.649 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -0.433 -35.103 -19.093 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 8.856 -35.647 -15.072 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 8.943 -34.821 -14.597 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 7.992 -35.977 -14.823 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 4.797 -48.874 -19.475 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 3.936 -48.961 -19.883 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 4.775 -48.018 -19.048 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 9.460 -49.152 -16.101 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 9.880 -49.567 -15.348 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 8.527 -49.330 -15.984 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 4.885 -43.687 -23.468 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 3.992 -44.028 -23.527 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 5.336 -44.064 -24.224 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 -0.754 -46.472 -22.663 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 -0.123 -46.501 -21.943 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 -0.304 -46.897 -23.393 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 0.521 -45.726 -27.239 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 0.995 -45.135 -27.824 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 -0.197 -45.195 -26.892 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 10.689 -42.187 -17.166 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 11.013 -42.818 -17.809 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 10.249 -42.722 -16.505 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 7.467 -46.260 -22.382 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 6.556 -46.203 -22.093 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 7.972 -46.320 -21.571 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 5.948 -44.631 -25.899 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 6.880 -44.502 -25.721 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 5.733 -43.961 -26.548 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 11.872 -47.025 -19.118 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 11.195 -46.894 -18.454 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 11.386 -47.180 -19.928 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 8.787 -43.472 -20.495 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 9.351 -44.019 -21.042 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 8.639 -43.994 -19.706 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 3.789 -47.336 -24.077 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 3.472 -48.238 -24.112 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 4.570 -47.334 -24.629 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 7.413 -45.084 -18.081 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 6.578 -44.630 -17.971 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 7.937 -44.808 -17.329 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 15.107 -39.738 -17.610 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 15.749 -39.281 -18.153 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 14.277 -39.625 -18.072 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 9.477 -38.687 -15.159 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 9.131 -39.068 -14.353 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 9.277 -37.753 -15.088 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 7.107 -41.598 -13.099 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 6.811 -41.764 -13.994 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 8.038 -41.818 -13.109 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 11.727 -36.225 -15.209 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 10.826 -36.042 -15.477 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 11.761 -35.966 -14.288 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 17.422 -38.180 -14.005 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 16.570 -37.942 -14.372 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 18.012 -38.197 -14.758 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 10.943 -38.147 -17.630 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 10.517 -38.374 -16.804 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 11.524 -38.885 -17.813 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 10.459 -46.621 -16.864 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 11.157 -46.547 -16.214 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 10.078 -47.485 -16.709 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 8.979 -44.255 -15.747 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 9.098 -43.681 -14.990 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 9.634 -44.943 -15.632 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 2.367 -49.223 -20.457 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 2.138 -49.164 -21.384 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 1.924 -50.015 -20.150 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 11.760 -35.371 -12.617 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 11.409 -36.227 -12.374 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 12.486 -35.228 -12.010 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 12.883 -38.974 -15.196 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 13.628 -38.386 -15.316 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 12.126 -38.392 -15.133 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 5.612 -45.296 -14.135 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 5.762 -46.025 -14.738 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 5.614 -44.519 -14.694 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 6.024 -46.926 -16.643 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 6.560 -46.475 -17.295 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 5.172 -47.034 -17.065 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 7.606 -41.487 -16.403 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 8.357 -41.643 -16.976 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 7.267 -40.635 -16.679 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 6.830 -49.470 -16.211 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.732 -48.523 -16.317 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 6.087 -49.842 -16.687 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 15.602 -37.334 -11.405 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 14.736 -37.439 -11.011 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 15.978 -36.575 -10.958 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 15.940 -40.533 -13.865 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 16.523 -41.267 -13.674 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 16.504 -39.761 -13.819 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 17.437 -42.630 -13.181 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 16.574 -43.009 -13.346 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 18.041 -43.369 -13.255 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 15.435 -43.602 -16.830 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 14.592 -43.334 -16.464 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 15.878 -42.780 -17.041 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 17.718 -49.622 -11.476 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 18.068 -50.276 -12.082 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 17.865 -48.785 -11.916 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 -0.445 -47.585 -25.338 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 -1.370 -47.376 -25.468 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 0.009 -47.101 -26.028 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 -0.481 -48.847 -16.994 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 -1.146 -49.093 -16.351 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 -0.924 -48.225 -17.571 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 11.321 -32.013 -14.388 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 11.998 -32.645 -14.628 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 11.643 -31.611 -13.580 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 16.239 -49.423 -15.308 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 15.426 -49.098 -15.696 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 16.472 -50.183 -15.841 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 9.245 -31.953 -18.338 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 8.788 -31.424 -18.992 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 9.408 -31.350 -17.613 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 11.572 -33.075 -17.393 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 10.668 -32.910 -17.659 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 12.001 -32.222 -17.459 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 1.482 -32.818 -19.633 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 1.463 -33.243 -18.776 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 2.287 -33.136 -20.042 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 3.623 -34.108 -20.978 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 3.404 -35.024 -20.809 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 4.447 -33.968 -20.512 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 6.160 -33.638 -20.130 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 6.373 -34.526 -20.417 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 6.225 -33.672 -19.175 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 1.995 -49.340 -23.163 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 1.218 -49.574 -23.671 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 2.526 -50.137 -23.155 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 1.953 -48.826 -13.646 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 1.587 -49.591 -13.203 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 2.866 -48.797 -13.359 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 3.926 -49.475 -12.110 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 4.825 -49.749 -12.295 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 3.540 -50.218 -11.646 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 15.524 -34.070 -13.235 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 14.742 -34.256 -13.755 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 15.452 -33.141 -13.018 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 15.770 -49.818 -8.447 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 14.871 -49.679 -8.152 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 16.022 -48.987 -8.849 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 16.960 -35.452 -10.070 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 17.033 -34.513 -9.900 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 17.865 -35.757 -10.127 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 12.372 -32.721 -9.407 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 12.747 -33.465 -9.878 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 12.376 -32.991 -8.489 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 15.754 -35.194 -7.521 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 15.381 -36.020 -7.211 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 16.031 -35.377 -8.418 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 7.237 -36.106 -11.253 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 7.476 -36.854 -11.801 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 6.968 -36.494 -10.421 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 9.275 -34.243 -11.115 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 8.631 -34.874 -10.793 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 10.037 -34.774 -11.347 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 13.879 -34.426 -10.881 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 14.162 -35.220 -10.428 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 14.619 -34.193 -11.442 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 16.444 -39.946 -11.010 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 16.171 -40.371 -11.823 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 16.484 -39.015 -11.227 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 17.718 -49.622 7.380 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 18.068 -50.276 6.774 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 17.865 -48.785 6.940 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 17.274 -47.590 -9.609 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 17.687 -48.311 -10.085 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 17.956 -46.920 -9.551 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 16.306 -32.821 -6.529 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 16.112 -33.569 -7.094 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 16.267 -32.063 -7.113 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 17.059 -46.895 19.193 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 17.108 -46.285 19.929 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 17.485 -46.434 18.470 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 17.451 -45.417 21.429 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 16.762 -44.759 21.334 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 17.466 -45.614 22.366 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 15.322 -37.902 22.187 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 15.462 -38.493 21.448 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 15.490 -37.029 21.831 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 15.770 -49.818 10.409 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 14.871 -49.679 10.704 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 16.022 -48.987 10.007 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 17.877 -35.221 23.764 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 17.828 -36.176 23.727 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 17.051 -34.953 24.166 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 15.029 -43.728 24.244 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 14.622 -43.247 23.524 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 15.070 -44.633 23.937 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 9.523 -43.096 24.549 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 8.960 -43.800 24.869 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 10.349 -43.216 25.016 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 17.422 -38.180 23.707 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 16.570 -37.942 23.340 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 18.012 -38.197 22.954 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 15.183 -46.348 22.800 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 14.267 -46.085 22.712 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 15.519 -46.351 21.903 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 11.760 -35.371 25.095 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 11.409 -36.227 25.338 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 12.486 -35.228 25.702 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 12.022 -43.672 26.337 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 12.214 -44.603 26.226 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 12.879 -43.247 26.327 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 10.810 -46.021 24.140 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 9.862 -45.989 24.272 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 11.122 -46.646 24.794 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 12.444 -47.387 26.145 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 12.347 -48.339 26.139 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 12.122 -47.118 27.006 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 7.052 -50.176 24.172 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 7.764 -50.816 24.158 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 6.951 -49.909 23.258 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 7.405 -48.493 26.226 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 7.274 -48.969 25.405 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 6.806 -47.749 26.170 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 17.588 -32.691 18.747 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 17.566 -32.506 19.686 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 18.278 -32.122 18.406 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 15.602 -37.334 26.307 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 14.736 -37.439 26.701 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 15.978 -36.575 26.754 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 15.940 -40.533 23.847 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 16.523 -41.267 24.038 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 16.504 -39.761 23.893 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 17.437 -42.630 24.531 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 16.574 -43.009 24.366 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 18.041 -43.369 24.457 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 15.435 -43.602 20.882 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 14.592 -43.334 21.248 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 15.878 -42.780 20.671 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 15.408 -47.657 12.719 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 15.590 -48.106 13.544 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 14.808 -48.242 12.255 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 17.238 -47.513 24.585 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 16.321 -47.242 24.549 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 17.361 -48.048 23.801 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 16.239 -49.423 22.404 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 15.426 -49.098 22.016 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 16.472 -50.183 21.871 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 16.538 -48.728 15.173 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 17.150 -49.242 14.646 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 16.921 -47.850 15.196 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 13.485 -49.357 11.704 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 12.782 -48.743 11.494 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 13.040 -50.195 11.835 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 3.926 -49.475 25.602 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 4.825 -49.749 25.417 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 3.540 -50.218 26.066 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 12.348 -50.143 25.784 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 12.424 -50.569 26.638 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 13.241 -50.129 25.442 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -0.091 -43.204 32.303 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -0.539 -42.358 32.285 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -0.652 -43.784 31.788 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 0.600 -37.772 30.719 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 0.328 -37.543 29.830 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 0.645 -36.934 31.179 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 9.849 -42.482 27.854 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 10.550 -42.460 28.505 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 10.151 -43.110 27.198 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 12.072 -41.568 29.452 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 12.651 -41.418 30.199 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 12.486 -41.097 28.729 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 3.836 -41.030 31.239 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 3.544 -40.262 30.748 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 3.162 -41.690 31.076 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 16.960 -35.452 27.642 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 17.033 -34.513 27.812 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 17.865 -35.757 27.585 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 12.372 -32.721 28.305 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 12.747 -33.465 27.834 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 12.376 -32.991 29.223 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 13.549 -40.535 27.082 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 13.591 -40.758 26.152 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 14.398 -40.137 27.272 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 9.122 -46.659 27.752 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 8.868 -46.640 28.675 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 8.865 -47.531 27.451 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 6.004 -46.214 26.853 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 5.573 -46.659 27.583 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 5.286 -45.842 26.341 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 0.521 -45.726 29.329 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 0.995 -45.135 28.744 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 -0.197 -45.195 29.676 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 5.948 -44.631 30.669 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 6.880 -44.502 30.847 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 5.733 -43.961 30.020 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 4.622 -43.436 28.236 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 4.080 -43.816 27.545 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 5.456 -43.242 27.807 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 7.957 -38.871 30.172 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 7.213 -39.378 29.849 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 7.823 -38.822 31.118 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 10.083 -37.412 29.197 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 9.788 -36.586 29.579 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 9.380 -38.032 29.393 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 15.754 -35.194 30.191 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 15.381 -36.020 30.501 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 16.031 -35.377 29.294 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 13.146 -37.218 28.012 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 13.499 -37.598 28.816 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 12.197 -37.311 28.098 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 17.650 -32.738 28.213 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 18.393 -32.152 28.073 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 16.955 -32.170 28.546 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 14.012 -38.545 30.238 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 13.735 -39.273 30.794 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 14.939 -38.426 30.444 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 7.237 -36.106 26.459 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 7.476 -36.854 25.911 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 6.968 -36.494 27.291 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 6.174 -36.536 28.915 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 6.321 -37.056 29.705 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 6.171 -35.629 29.221 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 2.627 -39.283 29.425 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 1.941 -38.931 29.992 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 3.150 -38.520 29.179 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 8.912 -34.838 29.664 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 8.095 -34.341 29.717 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 9.441 -34.363 29.024 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 6.250 -33.795 29.646 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 6.411 -32.995 29.145 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 6.053 -33.488 30.531 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 4.984 -47.097 29.262 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 4.901 -46.208 29.608 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 5.874 -47.362 29.493 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 3.243 -36.669 28.322 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 3.835 -35.970 28.598 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 3.702 -37.102 27.603 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 9.275 -34.243 26.597 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 8.631 -34.874 26.919 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 10.037 -34.774 26.365 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 13.879 -34.426 26.831 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 14.162 -35.220 27.284 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 14.619 -34.193 26.270 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 5.983 -40.544 28.994 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 5.524 -41.028 29.680 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 6.238 -41.212 28.358 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 7.054 -42.301 27.257 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 6.874 -42.455 26.329 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 8.005 -42.193 27.301 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 16.444 -39.946 26.702 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 16.171 -40.371 25.889 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 16.484 -39.015 26.485 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 6.952 -31.610 28.258 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 7.885 -31.452 28.402 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 6.688 -30.935 27.633 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 0.520 -36.974 27.741 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 1.434 -36.895 28.014 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 0.527 -37.661 27.074 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 -0.445 -47.585 31.230 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 -1.370 -47.376 31.100 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 0.009 -47.101 30.540 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 0.832 -49.542 29.208 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 1.271 -48.931 28.617 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 0.198 -49.004 29.682 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 0.733 -33.594 30.106 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.048 -33.632 29.438 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 0.736 -32.681 30.394 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 2.693 -47.626 27.651 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 3.184 -48.256 27.123 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 3.316 -47.330 28.314 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 9.597 -32.384 28.503 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 10.463 -32.018 28.325 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 9.350 -32.824 27.690 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 2.551 -32.674 27.131 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 2.283 -32.387 28.004 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 3.322 -33.220 27.283 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 11.074 -21.328 -23.205 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 11.163 -20.384 -23.337 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 10.435 -21.603 -23.863 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 2.375 -22.458 -18.193 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 2.417 -23.084 -17.469 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 3.078 -21.835 -18.011 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 13.713 -19.134 -21.484 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 13.272 -19.854 -21.034 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 13.700 -18.413 -20.854 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 8.396 -19.640 -19.380 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 8.700 -20.326 -19.974 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 9.118 -19.522 -18.762 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 11.537 -25.246 -19.052 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 11.680 -26.193 -19.032 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 11.431 -25.039 -19.981 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 4.692 -27.145 -21.780 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 4.735 -26.285 -22.198 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 4.234 -27.697 -22.413 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 1.312 -24.748 -21.018 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 1.966 -25.298 -20.586 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 1.336 -25.022 -21.934 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 6.468 -23.198 -21.802 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 7.084 -23.724 -21.293 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 5.882 -23.838 -22.206 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 17.451 -26.561 -16.283 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 16.762 -25.903 -16.378 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 17.466 -26.758 -15.346 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 3.502 -28.227 -17.706 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 3.283 -27.697 -18.472 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 2.834 -28.000 -17.058 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 10.871 -18.727 -24.162 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 10.575 -19.049 -25.013 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 10.547 -17.827 -24.120 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 6.071 -20.551 -17.418 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 5.331 -19.953 -17.315 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 6.785 -19.997 -17.734 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 3.096 -26.335 -19.753 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 3.709 -25.702 -19.380 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 3.608 -26.807 -20.410 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 4.479 -18.587 -16.631 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 4.473 -17.708 -17.009 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 3.625 -18.670 -16.206 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 14.225 -17.294 -19.136 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 13.283 -17.236 -18.975 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 14.501 -16.388 -19.273 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 7.528 -30.921 -20.253 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 7.411 -31.870 -20.307 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 6.673 -30.589 -19.980 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 12.477 -15.513 -22.511 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 12.902 -16.220 -22.996 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 12.794 -14.712 -22.928 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 13.636 -17.612 -24.002 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 13.379 -18.302 -24.614 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 13.707 -18.055 -23.157 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 17.164 -22.706 -17.459 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 16.512 -22.011 -17.370 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 17.629 -22.496 -18.269 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 6.213 -17.816 -20.237 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 6.118 -18.394 -20.994 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 6.942 -18.187 -19.741 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 5.213 -22.475 -19.285 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 5.778 -22.354 -20.048 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 5.532 -21.838 -18.646 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 3.013 -21.878 -15.339 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 3.083 -21.227 -14.641 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 2.122 -21.775 -15.674 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 9.798 -15.975 -23.681 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 10.272 -15.680 -22.903 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 9.235 -15.237 -23.914 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 4.332 -16.004 -13.804 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 4.340 -16.140 -14.752 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 3.416 -16.122 -13.552 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 -0.071 -19.811 -16.514 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 -0.572 -19.839 -17.329 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 -0.065 -20.717 -16.204 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 9.270 -13.019 -25.266 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 9.195 -13.140 -26.212 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 9.303 -12.069 -25.147 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 12.041 -13.939 -25.514 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 11.106 -13.839 -25.335 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 12.321 -14.648 -24.936 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 15.029 -24.872 -13.468 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 14.622 -24.391 -14.188 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 15.070 -25.777 -13.775 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 2.178 -18.488 -15.471 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 2.395 -18.849 -14.611 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 1.323 -18.862 -15.681 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 4.797 -30.018 -19.475 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 3.936 -30.105 -19.883 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 4.775 -29.162 -19.048 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 9.460 -30.296 -16.101 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 9.880 -30.711 -15.348 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 8.527 -30.474 -15.984 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 12.786 -26.540 -15.247 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 12.272 -26.666 -14.450 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 12.631 -25.628 -15.492 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 4.888 -25.052 -18.380 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 4.246 -25.093 -17.671 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 4.925 -24.126 -18.618 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 11.425 -24.969 -21.837 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 11.230 -24.364 -22.552 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 11.607 -25.803 -22.272 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 11.872 -28.169 -19.118 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 11.195 -28.038 -18.454 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 11.386 -28.324 -19.928 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 8.787 -24.616 -20.495 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 9.351 -25.163 -21.042 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 8.639 -25.138 -19.706 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 7.413 -26.228 -18.081 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 6.578 -25.774 -17.971 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 7.937 -25.952 -17.329 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 0.090 -22.259 -15.312 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 0.313 -22.677 -14.480 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 -0.512 -22.872 -15.734 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 5.568 -14.517 -24.101 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 4.618 -14.412 -24.049 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 5.919 -13.697 -23.756 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 10.459 -27.765 -16.864 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 11.157 -27.691 -16.214 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 10.078 -28.629 -16.709 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 15.183 -27.492 -14.912 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 14.267 -27.229 -15.000 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 15.519 -27.495 -15.809 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 13.785 -23.741 -20.816 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 12.988 -24.156 -21.145 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 14.230 -24.432 -20.325 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 2.367 -30.367 -20.457 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 2.138 -30.308 -21.384 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 1.924 -31.159 -20.150 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 0.586 -13.814 -12.966 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 1.126 -14.031 -12.207 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 0.105 -14.620 -13.156 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 0.493 -20.004 -12.012 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 0.637 -20.906 -12.298 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 -0.280 -19.718 -12.500 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 1.325 -22.804 -12.592 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 1.733 -23.661 -12.713 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 1.065 -22.789 -11.671 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 12.444 -28.531 -11.567 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 12.347 -29.483 -11.573 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 12.122 -28.262 -10.706 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 17.588 -13.835 -18.965 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 17.566 -13.650 -18.026 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 18.278 -13.266 -19.306 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 17.056 -19.383 -19.119 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 17.890 -19.761 -19.400 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 17.168 -18.440 -19.238 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 15.543 -16.505 -16.812 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 14.895 -16.180 -16.187 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 15.025 -16.945 -17.487 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 15.406 -25.483 -19.606 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 16.339 -25.271 -19.640 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 15.171 -25.381 -18.683 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 15.435 -24.746 -16.830 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 14.592 -24.478 -16.464 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 15.878 -23.924 -17.041 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 0.938 -27.986 -20.462 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 1.383 -28.778 -20.160 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 1.404 -27.270 -20.031 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 -0.758 -24.987 -19.393 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 -0.266 -25.208 -20.183 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 -0.396 -24.146 -19.112 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 17.238 -28.657 -13.127 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 16.321 -28.386 -13.163 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 17.361 -29.192 -13.911 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 14.326 -13.745 -23.393 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 14.979 -14.092 -24.001 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 14.837 -13.256 -22.747 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 -0.481 -29.991 -16.994 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 -1.146 -30.237 -16.351 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 -0.924 -29.369 -17.571 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 1.711 -16.816 -12.850 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 0.890 -16.641 -13.310 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 1.459 -16.889 -11.929 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 4.665 -15.841 -16.591 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 4.240 -15.032 -16.874 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 5.570 -15.756 -16.893 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 2.067 -12.585 -16.544 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 1.347 -12.145 -16.995 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 1.701 -12.836 -15.695 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 4.534 -12.985 -17.514 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 3.669 -12.913 -17.110 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 4.479 -12.438 -18.298 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 3.623 -15.252 -20.978 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 3.404 -16.168 -20.809 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 4.447 -15.112 -20.512 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 6.160 -14.782 -20.130 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 6.373 -15.670 -20.417 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 6.225 -14.816 -19.175 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 9.669 -29.118 -20.985 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 8.994 -29.747 -20.730 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 10.233 -29.602 -21.588 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 12.348 -31.287 -11.928 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 12.424 -31.713 -11.074 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 13.241 -31.273 -12.270 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 2.375 -22.458 0.663 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 2.417 -23.084 1.387 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 3.078 -21.835 0.845 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 3.299 -18.008 -0.802 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 2.929 -18.810 -1.171 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 4.240 -18.177 -0.755 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 0.619 -22.186 -3.283 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 0.833 -22.956 -2.756 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 1.357 -22.097 -3.886 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 10.824 -14.029 -2.416 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 11.444 -14.706 -2.689 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 10.616 -14.247 -1.508 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 8.396 -19.640 -0.524 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 8.700 -20.326 -1.118 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 9.118 -19.522 0.094 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 1.312 -24.748 -2.162 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 1.966 -25.298 -1.730 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 1.336 -25.022 -3.078 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 6.468 -23.198 -2.946 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 7.084 -23.724 -2.437 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 5.882 -23.838 -3.350 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 3.096 -26.335 -0.897 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 3.709 -25.702 -0.524 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 3.608 -26.807 -1.554 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 14.225 -17.294 -0.280 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 13.283 -17.236 -0.119 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 14.501 -16.388 -0.417 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 17.164 -22.706 1.397 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 16.512 -22.011 1.486 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 17.629 -22.496 0.587 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 4.846 -21.244 -4.062 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 4.516 -21.614 -4.881 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 5.434 -21.914 -3.716 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 6.213 -17.816 -1.381 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 6.118 -18.394 -2.138 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 6.942 -18.187 -0.885 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 5.213 -22.475 -0.429 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 5.778 -22.354 -1.192 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 5.532 -21.838 0.210 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 4.332 -16.004 5.052 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 4.340 -16.140 4.104 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 3.416 -16.122 5.304 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 15.770 -30.962 -8.447 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 14.871 -30.823 -8.152 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 16.022 -30.131 -8.849 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 3.836 -22.174 -6.473 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 3.544 -21.406 -6.964 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 3.162 -22.834 -6.636 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 -0.071 -19.811 2.342 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 -0.572 -19.839 1.527 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 -0.065 -20.717 2.652 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 -0.320 -17.031 -0.774 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 0.626 -17.175 -0.793 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 -0.433 -16.247 -0.237 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 17.877 -16.365 4.908 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 17.828 -17.320 4.871 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 17.051 -16.097 5.310 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 9.270 -13.019 -6.410 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 9.195 -13.140 -7.356 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 9.303 -12.069 -6.291 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 12.041 -13.939 -6.658 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 11.106 -13.839 -6.479 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 12.321 -14.648 -6.080 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 2.178 -18.488 3.385 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 2.395 -18.849 4.245 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 1.323 -18.862 3.175 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 4.888 -25.052 0.476 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 4.246 -25.093 1.185 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 4.925 -24.126 0.238 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 2.638 -24.732 2.343 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 2.600 -24.332 3.211 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 2.147 -25.549 2.433 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 -0.754 -27.616 -3.807 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 -0.123 -27.645 -3.087 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 -0.304 -28.041 -4.537 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 12.573 -25.334 -7.680 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 13.465 -25.471 -7.361 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 12.630 -24.543 -8.217 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 3.082 -20.720 -1.771 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 3.827 -20.722 -2.372 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 3.160 -21.544 -1.289 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 0.090 -22.259 3.544 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 0.313 -22.677 4.376 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 -0.512 -22.872 3.122 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 17.458 -25.124 -7.986 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 16.904 -25.520 -8.658 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 17.559 -24.214 -8.263 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 17.422 -19.324 4.851 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 16.570 -19.086 4.484 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 18.012 -19.341 4.098 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 7.399 -15.390 1.525 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 7.762 -14.535 1.292 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 7.931 -15.682 2.266 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 13.602 -14.739 3.695 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 13.000 -15.294 3.200 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 13.883 -14.072 3.069 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 1.375 -15.701 1.537 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 1.592 -16.633 1.506 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 1.622 -15.427 2.421 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 14.872 -14.485 -0.338 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 14.716 -13.807 -0.995 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 15.804 -14.413 -0.135 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 0.586 -13.814 5.890 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 1.126 -14.031 6.649 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 0.105 -14.620 5.700 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 5.183 -14.895 7.510 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 5.951 -15.354 7.851 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 5.162 -15.121 6.580 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 11.760 -16.515 6.239 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 11.409 -17.371 6.482 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 12.486 -16.372 6.846 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 6.952 -12.754 -9.454 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 7.885 -12.596 -9.310 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 6.688 -12.079 -10.079 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 -0.831 -12.725 -4.894 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 -1.478 -13.187 -5.427 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 -0.476 -13.397 -4.311 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 0.039 -14.644 -3.089 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 -0.295 -15.525 -2.917 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 0.261 -14.299 -2.225 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 17.588 -13.835 -0.109 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 17.566 -13.650 0.830 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 18.278 -13.266 -0.450 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 17.151 -14.268 2.813 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 16.664 -15.003 2.442 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 17.700 -14.661 3.491 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 15.602 -18.478 7.451 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 14.736 -18.583 7.845 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 15.978 -17.719 7.898 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 17.297 -22.168 -5.211 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 16.571 -22.647 -4.813 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 17.878 -21.962 -4.479 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 15.543 -16.505 2.044 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 14.895 -16.180 2.669 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 15.025 -16.945 1.369 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 15.162 -27.619 -11.152 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 15.772 -27.991 -10.515 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 14.325 -28.041 -10.956 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 14.794 -26.064 -6.186 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 15.074 -26.971 -6.061 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 15.553 -25.630 -6.575 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 15.408 -28.801 -6.137 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 15.590 -29.250 -5.312 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 14.808 -29.386 -6.601 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 0.938 -27.986 -1.606 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 1.383 -28.778 -1.304 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 1.404 -27.270 -1.175 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 -0.758 -24.987 -0.537 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 -0.266 -25.208 -1.327 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -0.396 -24.146 -0.256 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 17.274 -28.734 -9.609 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 17.687 -29.455 -10.085 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 17.956 -28.064 -9.551 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 14.326 -13.745 -4.537 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 14.979 -14.092 -5.145 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 14.837 -13.256 -3.891 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 1.711 -16.816 6.006 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 0.890 -16.641 5.546 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 1.459 -16.889 6.927 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 4.665 -15.841 2.265 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 4.240 -15.032 1.982 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 5.570 -15.756 1.963 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 8.976 -14.442 5.224 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 9.161 -14.776 6.102 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 9.823 -14.133 4.902 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 11.321 -13.157 4.468 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 11.998 -13.789 4.228 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 11.643 -12.755 5.276 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 4.534 -12.985 1.342 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 3.669 -12.913 1.746 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 4.479 -12.438 0.558 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 9.245 -13.097 0.518 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 8.788 -12.568 -0.136 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 9.408 -12.494 1.243 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 11.572 -14.219 1.463 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 10.668 -14.054 1.197 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 12.001 -13.366 1.397 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 14.177 -12.649 1.758 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 13.995 -11.733 1.547 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 14.353 -13.059 0.911 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 1.482 -13.962 -0.777 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 1.463 -14.387 0.080 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 2.287 -14.280 -1.186 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 3.623 -15.252 -2.122 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 3.404 -16.168 -1.953 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 4.447 -15.112 -1.656 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 6.160 -14.782 -1.274 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 6.373 -15.670 -1.561 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 6.225 -14.816 -0.319 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 13.485 -30.501 -7.152 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 12.782 -29.887 -7.362 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 13.040 -31.339 -7.021 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 16.306 -13.965 -6.529 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 16.112 -14.713 -7.094 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 16.267 -13.207 -7.113 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 15.524 -15.214 5.621 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 14.742 -15.400 5.101 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 15.452 -14.285 5.838 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 11.074 -21.328 14.507 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 11.163 -20.384 14.375 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 10.435 -21.603 13.849 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 10.007 -22.073 17.926 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 9.969 -22.719 18.631 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 9.684 -22.539 17.155 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 13.713 -19.134 16.228 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 13.272 -19.854 16.678 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 13.700 -18.413 16.858 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 8.396 -19.640 18.332 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 8.700 -20.326 17.738 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 9.118 -19.522 18.950 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 17.059 -28.039 19.193 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 17.108 -27.429 19.929 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 17.485 -27.578 18.470 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 17.451 -26.561 21.429 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 16.762 -25.903 21.334 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 17.466 -26.758 22.366 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 10.871 -18.727 13.550 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 10.575 -19.049 12.699 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 10.547 -17.827 13.592 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 6.071 -20.551 20.294 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 5.331 -19.953 20.397 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 6.785 -19.997 19.978 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 4.479 -18.587 21.081 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 4.473 -17.708 20.703 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 3.625 -18.670 21.506 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 0.600 -18.916 11.863 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 0.328 -18.687 10.974 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 0.645 -18.078 12.323 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 13.636 -17.612 13.710 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 13.379 -18.302 13.098 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 13.707 -18.055 14.555 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 9.795 -22.084 11.959 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 9.083 -21.549 11.608 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 10.486 -22.028 11.299 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 17.164 -22.706 20.253 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 16.512 -22.011 20.342 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 17.629 -22.496 19.443 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 13.098 -23.700 21.979 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 13.178 -22.937 22.551 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 12.497 -23.421 21.288 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 4.846 -21.244 14.794 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 4.516 -21.614 13.975 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 5.434 -21.914 15.140 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 6.213 -17.816 17.475 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 6.118 -18.394 16.718 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 6.942 -18.187 17.971 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 6.093 -18.076 23.144 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 5.781 -17.294 23.600 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 5.443 -18.229 22.458 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 4.332 -16.004 23.908 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 4.340 -16.140 22.960 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 3.416 -16.122 24.160 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 16.960 -16.596 8.786 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 17.033 -15.657 8.956 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 17.865 -16.901 8.729 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 8.856 -16.791 22.640 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 8.943 -15.965 23.115 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 7.992 -17.121 22.889 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 2.924 -14.230 14.227 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 3.076 -14.578 15.106 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 2.073 -14.586 13.972 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 15.029 -24.872 24.244 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 14.622 -24.391 23.524 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 15.070 -25.777 23.937 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 12.786 -26.540 22.465 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 12.272 -26.666 23.262 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 12.631 -25.628 22.220 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 4.885 -24.831 14.244 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 3.992 -25.172 14.185 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 5.336 -25.208 13.488 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 9.523 -24.240 24.549 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 8.960 -24.944 24.869 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 10.349 -24.360 25.016 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 10.689 -23.331 20.546 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 11.013 -23.962 19.903 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 10.249 -23.866 21.207 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 7.957 -20.015 11.316 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 7.213 -20.522 10.993 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 7.823 -19.966 12.262 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 15.107 -20.882 20.102 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 15.749 -20.425 19.559 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 14.277 -20.769 19.640 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 9.477 -19.831 22.553 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 9.131 -20.212 23.359 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 9.277 -18.897 22.624 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 10.083 -18.556 10.341 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 9.788 -17.730 10.723 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 9.380 -19.176 10.537 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 12.914 -21.530 18.357 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 11.986 -21.762 18.330 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 13.365 -22.307 18.027 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 5.457 -17.202 14.490 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 5.984 -16.429 14.289 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 4.577 -16.977 14.188 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 6.884 -19.539 14.066 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 6.643 -18.614 14.108 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 6.144 -19.998 14.462 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 7.399 -15.390 20.381 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 7.762 -14.535 20.148 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 7.931 -15.682 21.122 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 10.943 -19.291 20.082 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 10.517 -19.518 20.908 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 11.524 -20.029 19.899 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 13.146 -18.362 9.156 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 13.499 -18.742 9.960 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 12.197 -18.455 9.242 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 14.012 -19.689 11.382 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 13.735 -20.417 11.938 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 14.939 -19.570 11.588 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 8.912 -15.982 10.808 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 8.095 -15.485 10.861 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 9.441 -15.507 10.168 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 6.250 -14.939 10.790 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 6.411 -14.139 10.289 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 6.053 -14.632 11.675 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 15.183 -27.492 22.800 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 14.267 -27.229 22.712 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 15.519 -27.495 21.903 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 1.297 -16.427 13.416 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 0.465 -15.954 13.443 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 1.843 -15.917 12.817 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 5.183 -14.895 26.366 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 5.951 -15.354 26.707 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 5.162 -15.121 25.436 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 9.275 -15.387 7.741 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 8.631 -16.018 8.063 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 10.037 -15.918 7.509 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 13.879 -15.570 7.975 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 14.162 -16.364 8.428 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 14.619 -15.337 7.414 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 0.493 -20.004 25.700 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 0.637 -20.906 25.414 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 -0.280 -19.718 25.212 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 10.292 -21.324 25.772 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 11.245 -21.240 25.744 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 10.132 -22.035 26.391 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 8.094 -26.292 25.064 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 7.858 -26.512 25.966 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 7.311 -26.499 24.555 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 10.810 -27.165 24.140 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 9.862 -27.133 24.272 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 11.122 -27.790 24.794 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 12.444 -28.531 26.145 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 12.347 -29.483 26.139 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 12.122 -28.262 27.006 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 7.405 -29.637 26.226 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 7.274 -30.113 25.405 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 6.806 -28.893 26.170 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 6.952 -12.754 9.402 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 7.885 -12.596 9.546 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 6.688 -12.079 8.777 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 0.520 -18.118 8.885 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 1.434 -18.039 9.158 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 0.527 -18.805 8.218 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 -0.831 -12.725 13.962 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 -1.478 -13.187 13.429 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 -0.476 -13.397 14.545 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 0.039 -14.644 15.767 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 -0.295 -15.525 15.939 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 0.261 -14.299 16.631 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 16.903 -20.221 11.821 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 17.753 -19.800 11.949 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 16.908 -20.961 12.429 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 17.056 -19.383 18.593 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 17.890 -19.761 18.312 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 17.168 -18.440 18.474 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 17.565 -22.267 10.036 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 17.044 -21.910 9.317 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 17.532 -21.592 10.714 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 15.435 -24.746 20.882 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 14.592 -24.478 21.248 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 15.878 -23.924 20.671 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 17.718 -30.766 26.236 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 18.068 -31.420 25.630 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 17.865 -29.929 25.796 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 17.238 -28.657 24.585 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 16.321 -28.386 24.549 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 17.361 -29.192 23.801 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 1.711 -16.816 24.862 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 0.890 -16.641 24.402 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 1.459 -16.889 25.783 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 3.623 -15.252 16.734 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 3.404 -16.168 16.903 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 4.447 -15.112 17.200 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 6.160 -14.782 17.582 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 6.373 -15.670 17.295 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 6.225 -14.816 18.537 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 0.733 -14.738 11.250 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 0.048 -14.776 10.582 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 0.736 -13.825 11.538 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 9.597 -13.528 9.647 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 10.463 -13.162 9.469 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 9.350 -13.968 8.834 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 2.551 -13.818 8.275 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 2.283 -13.531 9.148 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 3.322 -14.364 8.427 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 12.348 -31.287 25.784 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 12.424 -31.713 26.638 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 13.241 -31.273 25.442 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 -0.091 -24.348 32.303 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 -0.539 -23.502 32.285 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 -0.652 -24.928 31.788 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 9.849 -23.626 27.854 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 10.550 -23.604 28.505 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 10.151 -24.254 27.198 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 15.770 -30.962 29.265 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 14.871 -30.823 29.560 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 16.022 -30.131 28.863 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 3.836 -22.174 31.239 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 3.544 -21.406 30.748 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 3.162 -22.834 31.076 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 9.122 -27.803 27.752 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 8.868 -27.784 28.675 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 8.865 -28.675 27.451 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 6.004 -27.358 26.853 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 5.573 -27.803 27.583 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 5.286 -26.986 26.341 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 -0.754 -27.616 33.905 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 -0.123 -27.645 34.625 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 -0.304 -28.041 33.175 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 0.521 -26.870 29.329 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 0.995 -26.279 28.744 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 -0.197 -26.339 29.676 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 2.295 -25.775 33.013 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 1.406 -25.675 32.673 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 2.591 -26.617 32.667 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 5.948 -25.775 30.669 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 6.880 -25.646 30.847 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 5.733 -25.105 30.020 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 4.622 -24.580 28.236 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 4.080 -24.960 27.545 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 5.456 -24.386 27.807 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 7.957 -20.015 30.172 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 7.213 -20.522 29.849 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 7.823 -19.966 31.118 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 1.212 -22.340 27.933 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 1.828 -21.713 28.312 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 0.350 -22.024 28.204 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 7.237 -17.250 26.459 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 7.476 -17.998 25.911 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 6.968 -17.638 27.291 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 6.174 -17.680 28.915 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 6.321 -18.200 29.705 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 6.171 -16.773 29.221 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 2.627 -20.427 29.425 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 1.941 -20.075 29.992 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 3.150 -19.664 29.179 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 4.984 -28.241 29.262 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 4.901 -27.352 29.608 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 5.874 -28.506 29.493 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 3.243 -17.813 28.322 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 3.835 -17.114 28.598 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 3.702 -18.246 27.603 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 1.559 -25.149 27.438 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 1.514 -24.210 27.617 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 0.671 -25.385 27.168 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 4.834 -19.660 26.688 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 4.898 -20.454 27.219 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 5.487 -19.779 25.999 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 10.186 -18.613 26.424 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 9.918 -18.433 27.325 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 9.980 -19.539 26.293 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 5.983 -21.688 28.994 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 5.524 -22.172 29.680 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 6.238 -22.356 28.358 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 7.054 -23.445 27.257 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 6.874 -23.599 26.329 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 8.005 -23.337 27.301 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 0.520 -18.118 27.741 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 1.434 -18.039 28.014 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 0.527 -18.805 27.074 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 15.162 -27.619 26.560 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 15.772 -27.991 27.197 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 14.325 -28.041 26.756 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 17.274 -28.734 28.103 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 17.687 -29.455 27.627 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 17.956 -28.064 28.161 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 -0.445 -28.729 31.230 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 -1.370 -28.520 31.100 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 0.009 -28.245 30.540 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 0.832 -30.686 29.208 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 1.271 -30.075 28.617 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 0.198 -30.148 29.682 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 2.551 -13.818 27.131 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 2.283 -13.531 28.004 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 3.322 -14.364 27.283 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 10.007 -3.217 -19.786 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 9.969 -3.863 -19.081 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 9.684 -3.683 -20.557 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 3.299 0.848 -19.658 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 2.929 0.046 -20.027 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 4.240 0.679 -19.611 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 0.619 -3.330 -22.139 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 0.833 -4.100 -21.612 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 1.357 -3.241 -22.742 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 8.396 -0.784 -19.380 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 8.700 -1.470 -19.974 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 9.118 -0.666 -18.762 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 17.059 -9.183 -18.519 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 17.108 -8.573 -17.783 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 17.485 -8.722 -19.242 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 11.537 -6.390 -19.052 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 11.680 -7.337 -19.032 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 11.431 -6.183 -19.981 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 4.692 -8.289 -21.780 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 4.735 -7.429 -22.198 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 4.234 -8.841 -22.413 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 12.414 -8.158 -23.379 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 13.060 -8.487 -22.754 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 12.924 -7.640 -24.002 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 1.312 -5.892 -21.018 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 1.966 -6.442 -20.586 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 1.336 -6.166 -21.934 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 6.468 -4.342 -21.802 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 7.084 -4.868 -21.293 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 5.882 -4.982 -22.206 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 3.502 -9.371 -17.706 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 3.283 -8.841 -18.472 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 2.834 -9.144 -17.058 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 14.178 -8.867 -21.398 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 13.963 -9.633 -20.866 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 14.834 -8.395 -20.885 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 3.096 -7.479 -19.753 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 3.709 -6.846 -19.380 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 3.608 -7.951 -20.410 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 14.525 -10.152 -17.719 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 13.789 -9.541 -17.757 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 15.209 -9.737 -18.245 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 15.322 -0.190 -15.525 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 15.462 -0.781 -16.264 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 15.490 0.683 -15.881 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 4.846 -2.388 -22.918 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 4.516 -2.758 -23.737 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 5.434 -3.058 -22.572 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 6.213 1.040 -20.237 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 6.118 0.462 -20.994 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 6.942 0.669 -19.741 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 6.093 0.780 -14.568 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 5.781 1.562 -14.112 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 5.443 0.627 -15.254 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 4.332 2.852 -13.804 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 4.340 2.716 -14.752 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 3.416 2.734 -13.552 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 -0.071 -0.955 -16.514 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 -0.572 -0.983 -17.329 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 -0.065 -1.861 -16.204 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 -0.320 1.825 -19.630 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 0.626 1.681 -19.649 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 -0.433 2.609 -19.093 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 8.856 2.065 -15.072 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 8.943 2.891 -14.597 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 7.992 1.735 -14.823 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 2.178 0.368 -15.471 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 2.395 0.007 -14.611 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 1.323 -0.006 -15.681 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 4.797 -11.162 -19.475 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 3.936 -11.249 -19.883 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 4.775 -10.306 -19.048 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 4.885 -5.975 -23.468 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 3.992 -6.316 -23.527 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 5.336 -6.352 -24.224 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 11.425 -6.113 -21.837 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 11.230 -5.508 -22.552 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 11.607 -6.947 -22.272 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 10.689 -4.475 -17.166 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 11.013 -5.106 -17.809 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 10.249 -5.010 -16.505 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 7.467 -8.548 -22.382 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 6.556 -8.491 -22.093 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 7.972 -8.608 -21.571 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 2.295 -6.919 -23.555 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 1.406 -6.819 -23.895 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 2.591 -7.761 -23.901 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 8.787 -5.760 -20.495 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 9.351 -6.307 -21.042 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 8.639 -6.282 -19.706 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 15.107 -2.026 -17.610 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 15.749 -1.569 -18.153 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 14.277 -1.913 -18.072 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 9.477 -0.975 -15.159 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 9.131 -1.356 -14.353 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 9.277 -0.041 -15.088 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 3.082 -1.864 -20.627 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 3.827 -1.866 -21.228 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 3.160 -2.688 -20.145 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 17.422 -0.468 -14.005 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 16.570 -0.230 -14.372 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 18.012 -0.485 -14.758 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 12.914 -2.674 -19.355 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 11.986 -2.906 -19.382 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 13.365 -3.451 -19.685 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 7.399 3.466 -17.331 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 7.762 4.321 -17.564 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 7.931 3.174 -16.590 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 10.943 -0.435 -17.630 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 10.517 -0.662 -16.804 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 11.524 -1.173 -17.813 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 1.724 -8.650 -15.754 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 0.831 -8.311 -15.821 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 1.625 -9.505 -15.336 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 1.375 3.155 -17.319 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 1.592 2.223 -17.350 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 1.622 3.429 -16.435 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 11.243 -9.257 -25.767 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 11.463 -8.785 -26.570 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 11.801 -8.862 -25.096 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 9.327 -10.448 -23.994 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 8.980 -9.830 -23.349 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 9.985 -9.947 -24.475 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 13.785 -4.885 -20.816 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 12.988 -5.300 -21.145 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 14.230 -5.576 -20.325 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 0.493 -1.148 -12.012 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 0.637 -2.050 -12.298 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 -0.280 -0.862 -12.500 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 7.148 -1.178 -12.579 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 6.820 -0.907 -13.437 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 7.300 -2.119 -12.667 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 12.883 -1.262 -15.196 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 13.628 -0.674 -15.316 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 12.126 -0.680 -15.133 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 10.292 -2.468 -11.940 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 11.245 -2.384 -11.968 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 10.132 -3.179 -11.321 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 15.602 0.378 -11.405 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 14.736 0.273 -11.011 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 15.978 1.137 -10.958 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 17.056 -0.527 -19.119 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 17.890 -0.905 -19.400 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 17.168 0.416 -19.238 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 0.119 -2.713 -19.494 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 0.303 -2.795 -20.429 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 0.968 -2.837 -19.070 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 15.406 -6.627 -19.606 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 16.339 -6.415 -19.640 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 15.171 -6.525 -18.683 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 -0.283 -7.442 -13.353 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 0.636 -7.564 -13.117 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 -0.733 -8.192 -12.964 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 0.938 -9.130 -20.462 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 1.383 -9.922 -20.160 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 1.404 -8.414 -20.031 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 -0.758 -6.131 -19.393 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 -0.266 -6.352 -20.183 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 -0.396 -5.290 -19.112 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 -0.481 -11.135 -16.994 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 -1.146 -11.381 -16.351 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 -0.924 -10.513 -17.571 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 1.711 2.040 -12.850 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 0.890 2.215 -13.310 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 1.459 1.967 -11.929 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 4.665 3.015 -16.591 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 4.240 3.824 -16.874 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 5.570 3.100 -16.893 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 14.811 -12.155 -20.873 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 15.415 -11.607 -21.374 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 13.942 -11.835 -21.113 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 16.538 -11.016 -22.539 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 17.150 -11.530 -23.066 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 16.921 -10.138 -22.516 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 6.575 -11.701 -23.350 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 7.449 -11.313 -23.380 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 6.439 -11.916 -22.427 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 13.485 -11.645 -26.008 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 12.782 -11.031 -26.218 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 13.040 -12.483 -25.877 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 1.953 -11.114 -13.646 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 1.587 -11.879 -13.203 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 2.866 -11.085 -13.359 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 7.528 -12.065 -1.397 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 7.411 -13.014 -1.451 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 6.673 -11.733 -1.124 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 9.795 -3.228 -6.897 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 9.083 -2.693 -7.248 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 10.486 -3.172 -7.557 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 9.849 -4.770 -9.858 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 10.550 -4.748 -9.207 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 10.151 -5.398 -10.514 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 12.072 -3.856 -8.260 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 12.651 -3.706 -7.513 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 12.486 -3.385 -8.983 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 3.836 -3.318 -6.473 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 3.544 -2.550 -6.964 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 3.162 -3.978 -6.636 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 13.549 -2.823 -10.630 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 13.591 -3.046 -11.560 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 14.398 -2.425 -10.440 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 0.521 -8.014 -8.383 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 0.995 -7.423 -8.968 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 -0.197 -7.483 -8.036 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 5.948 -6.919 -7.043 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 6.880 -6.790 -6.865 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 5.733 -6.249 -7.692 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 3.789 -9.624 -5.221 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 3.472 -10.526 -5.256 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 4.570 -9.622 -5.773 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 7.957 -1.159 -7.540 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 7.213 -1.666 -7.863 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 7.823 -1.110 -6.594 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 11.855 -8.345 -9.341 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 10.917 -8.233 -9.492 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 12.152 -7.488 -9.035 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 12.573 -6.478 -7.680 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 13.465 -6.615 -7.361 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 12.630 -5.687 -8.217 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 17.458 -6.268 -7.986 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 16.904 -6.664 -8.658 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 17.559 -5.358 -8.263 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 1.212 -3.484 -9.779 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 1.828 -2.857 -9.400 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 0.350 -3.168 -9.508 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 7.237 1.606 -11.253 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 7.476 0.858 -11.801 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 6.968 1.218 -10.421 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 2.627 -1.571 -8.287 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 1.941 -1.219 -7.720 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 3.150 -0.808 -8.533 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 11.243 -9.257 -6.911 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 11.463 -8.785 -7.714 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 11.801 -8.862 -6.240 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 8.443 -7.529 -6.076 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 9.255 -7.025 -6.030 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 8.198 -7.674 -5.162 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 9.327 -10.448 -5.138 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 8.980 -9.830 -4.493 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 9.985 -9.947 -5.619 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 4.984 -9.385 -8.450 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 4.901 -8.496 -8.104 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 5.874 -9.650 -8.219 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 3.243 1.043 -9.390 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 3.835 1.742 -9.114 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 3.702 0.610 -10.109 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 1.559 -6.293 -10.274 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 1.514 -5.354 -10.095 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 0.671 -6.529 -10.544 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 2.367 -11.511 -1.601 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 2.138 -11.452 -2.528 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 1.924 -12.303 -1.294 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 4.834 -0.804 -11.024 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 4.898 -1.598 -10.493 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 5.487 -0.923 -11.713 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 10.186 0.243 -11.288 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 9.918 0.423 -10.387 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 9.980 -0.683 -11.419 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 5.983 -2.832 -8.718 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 5.524 -3.316 -8.032 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 6.238 -3.500 -9.354 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 16.444 -2.234 -11.010 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 16.171 -2.659 -11.823 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 16.484 -1.303 -11.227 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 7.052 -12.464 5.316 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 7.764 -13.104 5.302 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 6.951 -12.197 4.402 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 0.520 0.738 -9.971 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 1.434 0.817 -9.698 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 0.527 0.051 -10.638 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 17.565 -3.411 -8.820 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 17.044 -3.054 -9.539 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 17.532 -2.736 -8.142 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 15.914 -6.171 -10.269 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 16.011 -5.504 -10.949 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 15.774 -6.987 -10.751 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 14.794 -7.208 -6.186 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 15.074 -8.115 -6.061 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 15.553 -6.774 -6.575 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 15.408 -9.945 -6.137 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 15.590 -10.394 -5.312 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 14.808 -10.530 -6.601 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 17.274 -9.878 -9.609 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 17.687 -10.599 -10.085 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 17.956 -9.208 -9.551 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 -0.445 -9.873 -6.482 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 -1.370 -9.664 -6.612 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 0.009 -9.389 -7.172 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 14.811 -12.155 -2.017 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 15.415 -11.607 -2.518 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 13.942 -11.835 -2.257 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 1.995 -11.628 -4.307 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 1.218 -11.862 -4.815 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 2.526 -12.425 -4.299 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 0.832 -11.830 -8.504 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 1.271 -11.219 -9.095 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 0.198 -11.292 -8.030 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 6.575 -11.701 -4.494 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 7.449 -11.313 -4.524 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 6.439 -11.916 -3.571 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 12.132 -11.671 -2.845 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 12.208 -11.576 -3.794 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 11.856 -12.579 -2.716 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 13.485 -11.645 -7.152 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 12.782 -11.031 -7.362 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 13.040 -12.483 -7.021 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 7.719 -9.621 -7.604 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 7.897 -10.267 -6.921 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 7.665 -8.787 -7.137 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 3.926 -11.763 6.746 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 4.825 -12.037 6.561 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 3.540 -12.506 7.210 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 12.348 -12.431 6.928 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 12.424 -12.857 7.782 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 13.241 -12.417 6.586 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 2.375 -3.602 19.519 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 2.417 -4.228 20.243 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 3.078 -2.979 19.701 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 -0.091 -5.492 13.447 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 -0.539 -4.646 13.429 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 -0.652 -6.072 12.932 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 0.619 -3.330 15.573 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 0.833 -4.100 16.100 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 1.357 -3.241 14.970 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 4.692 -8.289 15.932 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 4.735 -7.429 15.514 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 4.234 -8.841 15.299 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 1.312 -5.892 16.694 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 1.966 -6.442 17.126 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 1.336 -6.166 15.778 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 3.096 -7.479 17.959 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 3.709 -6.846 18.332 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 3.608 -7.951 17.302 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 7.528 -12.065 17.459 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 7.411 -13.014 17.405 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 6.673 -11.733 17.732 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 3.013 -3.022 22.373 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 3.083 -2.371 23.071 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 2.122 -2.919 22.038 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 -0.071 -0.955 21.198 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 -0.572 -0.983 20.383 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 -0.065 -1.861 21.508 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 4.797 -11.162 18.237 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 3.936 -11.249 17.829 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 4.775 -10.306 18.664 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 4.888 -6.196 19.332 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 4.246 -6.237 20.041 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 4.925 -5.270 19.094 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 2.638 -5.876 21.199 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 2.600 -5.476 22.067 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 2.147 -6.693 21.289 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 0.521 -8.014 10.473 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 0.995 -7.423 9.888 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 -0.197 -7.483 10.820 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 2.295 -6.919 14.157 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 1.406 -6.819 13.817 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 2.591 -7.761 13.811 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 3.789 -9.624 13.635 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 3.472 -10.526 13.600 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 4.570 -9.622 13.083 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 7.413 -7.372 19.631 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 6.578 -6.918 19.741 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 7.937 -7.096 20.383 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 0.090 -3.403 22.400 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 0.313 -3.821 23.232 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 -0.512 -4.016 21.978 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 1.325 -3.948 25.120 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 1.733 -4.805 24.999 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 1.065 -3.933 26.041 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 5.272 -4.939 22.494 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 4.654 -4.264 22.775 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 5.616 -4.618 21.661 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 5.612 -7.584 23.577 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 5.762 -8.313 22.974 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 5.614 -6.807 23.018 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 6.024 -9.214 21.069 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 6.560 -8.763 20.417 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 5.172 -9.322 20.647 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 4.090 -6.386 25.488 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 3.323 -6.918 25.278 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 4.769 -6.696 24.889 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 6.830 -11.758 21.501 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 6.732 -10.811 21.395 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 6.087 -12.130 21.025 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 7.052 -12.464 24.172 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 7.764 -13.104 24.158 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 6.951 -12.197 23.258 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 7.405 -10.781 26.226 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 7.274 -11.257 25.405 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 6.806 -10.037 26.170 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 0.119 -2.713 18.218 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 0.303 -2.795 17.283 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 0.968 -2.837 18.642 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 -0.283 -7.442 24.359 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 0.636 -7.564 24.595 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 -0.733 -8.192 24.748 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 -0.445 -9.873 12.374 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 -1.370 -9.664 12.244 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 0.009 -9.389 11.684 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 1.995 -11.628 14.549 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 1.218 -11.862 14.041 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 2.526 -12.425 14.557 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 3.926 -11.763 25.602 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 4.825 -12.037 25.417 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 3.540 -12.506 26.066 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 6.004 -8.502 26.853 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 5.573 -8.947 27.583 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 5.286 -8.130 26.341 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 0.521 -8.014 29.329 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 0.995 -7.423 28.744 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 -0.197 -7.483 29.676 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 1.559 -6.293 27.438 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 1.514 -5.354 27.617 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 0.671 -6.529 27.168 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 0.832 -11.830 29.208 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 1.271 -11.219 28.617 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 0.198 -11.292 29.682 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 2.693 -9.914 27.651 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 3.184 -10.544 27.123 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 3.316 -9.618 28.314 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 19.442 -51.526 -12.966 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 19.982 -51.743 -12.207 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 18.961 -52.332 -13.156 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 21.231 -60.170 0.663 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 21.273 -60.796 1.387 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 21.934 -59.547 0.845 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 19.475 -59.898 -3.283 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 19.689 -60.668 -2.756 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 20.213 -59.809 -3.886 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 24.927 -58.263 1.438 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 24.187 -57.665 1.541 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 25.641 -57.709 1.122 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 23.335 -56.299 2.225 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 23.329 -55.420 1.847 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 22.481 -56.382 2.650 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 19.456 -56.628 -6.993 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 19.184 -56.399 -7.882 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 19.501 -55.790 -6.533 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 23.702 -58.956 -4.062 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 23.372 -59.326 -4.881 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 24.290 -59.626 -3.716 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 25.069 -55.528 -1.381 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 24.974 -56.106 -2.138 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 25.798 -55.899 -0.885 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 21.869 -59.590 3.517 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 21.939 -58.939 4.215 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 20.978 -59.487 3.182 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 23.188 -53.716 5.052 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 23.196 -53.852 4.104 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 22.272 -53.834 5.304 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 18.785 -57.523 2.342 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 18.284 -57.551 1.527 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 18.791 -58.429 2.652 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 21.780 -51.942 -4.629 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 21.932 -52.290 -3.750 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 20.929 -52.298 -4.884 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 21.034 -56.200 3.385 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 21.251 -56.561 4.245 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 20.179 -56.574 3.175 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 21.613 -57.735 5.623 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 22.346 -57.481 6.184 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 20.833 -57.531 6.138 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 21.938 -58.432 -1.771 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 22.683 -58.434 -2.372 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 22.016 -59.256 -1.289 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 18.946 -59.971 3.544 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 19.169 -60.389 4.376 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 18.344 -60.584 3.122 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 24.313 -54.914 -4.366 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 24.840 -54.141 -4.567 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 23.433 -54.689 -4.668 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 26.255 -53.102 1.525 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 26.618 -52.247 1.292 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 26.787 -53.394 2.266 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 24.424 -52.229 -5.245 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 23.474 -52.124 -5.193 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 24.775 -51.409 -4.900 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 25.106 -52.651 -8.066 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 25.267 -51.851 -8.567 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 24.909 -52.344 -7.181 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 20.153 -54.139 -5.440 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 19.321 -53.666 -5.413 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 20.699 -53.629 -6.039 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 19.442 -51.526 5.890 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 19.982 -51.743 6.649 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 18.961 -52.332 5.700 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 19.349 -57.716 6.844 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 19.493 -58.618 6.558 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 18.576 -57.430 6.356 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 20.181 -60.516 6.264 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 20.589 -61.373 6.143 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 19.921 -60.501 7.185 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 19.376 -55.830 -9.971 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 20.290 -55.751 -9.698 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 19.383 -56.517 -10.638 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 18.975 -59.281 -0.638 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 19.159 -59.363 -1.573 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 19.824 -59.405 -0.214 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 20.567 -54.528 6.006 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 19.746 -54.353 5.546 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 20.315 -54.601 6.927 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 23.521 -53.553 2.265 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 23.096 -52.744 1.982 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 24.426 -53.468 1.963 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 23.390 -50.697 1.342 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 22.525 -50.625 1.746 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 23.335 -50.150 0.558 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 25.016 -52.494 -1.274 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 25.229 -53.382 -1.561 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 25.081 -52.528 -0.319 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 19.589 -52.450 -7.606 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 18.904 -52.488 -8.274 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 19.592 -51.537 -7.318 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 21.407 -51.530 -10.581 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 21.139 -51.243 -9.708 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 22.178 -52.076 -10.429 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 19.456 -56.628 11.863 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.184 -56.399 10.974 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 19.501 -55.790 12.323 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 18.536 -54.743 18.082 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 19.482 -54.887 18.063 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 18.423 -53.959 18.619 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 20.068 -60.052 9.077 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 20.684 -59.425 9.456 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 19.206 -59.736 9.348 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 20.231 -53.413 20.393 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 20.448 -54.345 20.362 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 20.478 -53.139 21.277 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 21.483 -58.139 10.569 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 20.797 -57.787 11.136 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 22.006 -57.376 10.323 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 22.099 -55.525 9.466 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 22.691 -54.826 9.742 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 22.558 -55.958 8.747 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 19.376 -55.830 8.885 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 20.290 -55.751 9.158 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 19.383 -56.517 8.218 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 18.025 -50.437 13.962 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 17.378 -50.899 13.429 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 18.380 -51.109 14.545 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 18.895 -52.356 15.767 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 18.561 -53.237 15.939 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 19.117 -52.011 16.631 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 20.338 -51.674 18.079 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 20.319 -52.099 18.936 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 21.143 -51.992 17.670 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 19.589 -52.450 11.250 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 18.904 -52.488 10.582 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 19.592 -51.537 11.538 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 21.407 -51.530 8.275 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 21.139 -51.243 9.148 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 22.178 -52.076 8.427 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 18.946 -41.115 -15.312 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 19.169 -41.533 -14.480 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 18.344 -41.728 -15.734 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 20.580 -46.362 -15.754 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 19.687 -46.023 -15.821 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 20.481 -47.217 -15.336 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 19.349 -38.860 -12.012 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.493 -39.762 -12.298 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.576 -38.574 -12.500 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 20.181 -41.660 -12.592 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 20.589 -42.517 -12.713 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 19.921 -41.645 -11.671 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 21.127 -46.177 -12.519 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 21.338 -46.884 -13.130 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 21.015 -46.615 -11.675 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 18.573 -45.154 -13.353 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 19.492 -45.276 -13.117 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 18.123 -45.904 -12.964 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 18.375 -48.847 -16.994 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 17.710 -49.093 -16.351 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 17.932 -48.225 -17.571 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 20.809 -48.826 -13.646 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 20.443 -49.591 -13.203 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 21.722 -48.797 -13.359 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 22.155 -36.864 -0.802 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 21.785 -37.666 -1.171 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 23.096 -37.033 -0.755 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 23.548 -46.001 -2.924 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 23.591 -45.141 -3.342 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 23.090 -46.553 -3.557 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 25.324 -42.054 -2.946 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 25.940 -42.580 -2.437 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 24.738 -42.694 -3.350 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 24.927 -39.407 1.438 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 24.187 -38.809 1.541 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 25.641 -38.853 1.122 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 23.335 -37.443 2.225 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 23.329 -36.564 1.847 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 22.481 -37.526 2.650 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 19.456 -37.772 -6.993 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 19.184 -37.543 -7.882 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 19.501 -36.934 -6.533 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 26.384 -49.777 -1.397 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 26.267 -50.726 -1.451 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 25.529 -49.445 -1.124 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 23.702 -40.100 -4.062 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 23.372 -40.470 -4.881 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 24.290 -40.770 -3.716 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 24.069 -41.331 -0.429 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 24.634 -41.210 -1.192 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 24.388 -40.694 0.210 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 24.949 -36.932 4.288 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 24.637 -36.150 4.744 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 24.299 -37.085 3.602 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 21.869 -40.734 3.517 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 21.939 -40.083 4.215 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 20.978 -40.631 3.182 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 23.188 -34.860 5.052 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 23.196 -34.996 4.104 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 22.272 -34.978 5.304 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 22.692 -41.030 -6.473 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 22.400 -40.262 -6.964 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 22.018 -41.690 -6.636 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 18.536 -35.887 -0.774 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 19.482 -36.031 -0.793 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 18.423 -35.103 -0.237 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 21.780 -33.086 -4.629 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 21.932 -33.434 -3.750 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 20.929 -33.442 -4.884 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 23.653 -48.874 -0.619 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 22.792 -48.961 -1.027 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 23.631 -48.018 -0.192 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 23.744 -43.908 0.476 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 23.102 -43.949 1.185 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 23.781 -42.982 0.238 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 23.741 -43.687 -4.612 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 22.848 -44.028 -4.671 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 24.192 -44.064 -5.368 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 19.377 -45.726 -8.383 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 19.851 -45.135 -8.968 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 18.659 -45.195 -8.036 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 26.323 -46.260 -3.526 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 25.412 -46.203 -3.237 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 26.828 -46.320 -2.715 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 24.804 -44.631 -7.043 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 25.736 -44.502 -6.865 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 24.589 -43.961 -7.692 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 23.478 -43.436 -9.476 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 22.936 -43.816 -10.167 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 24.312 -43.242 -9.905 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 21.613 -38.879 5.623 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 22.346 -38.625 6.184 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 20.833 -38.675 6.138 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 26.269 -45.084 0.775 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 25.434 -44.630 0.885 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 26.793 -44.808 1.527 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 21.938 -39.576 -1.771 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 22.683 -39.578 -2.372 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 22.016 -40.400 -1.289 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 20.068 -41.196 -9.779 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 20.684 -40.569 -9.400 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 19.206 -40.880 -9.508 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 26.255 -34.246 1.525 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 26.618 -33.391 1.292 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 26.787 -34.538 2.266 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 24.424 -33.373 -5.245 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 23.474 -33.268 -5.193 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 24.775 -32.553 -4.900 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 21.483 -39.283 -8.287 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 20.797 -38.931 -7.720 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 22.006 -38.520 -8.533 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 23.840 -47.097 -8.450 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 23.757 -46.208 -8.104 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 24.730 -47.362 -8.219 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 20.415 -44.005 -10.274 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 20.370 -43.066 -10.095 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 19.527 -44.241 -10.544 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 20.153 -35.283 -5.440 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 19.321 -34.810 -5.413 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 20.699 -34.773 -6.039 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 24.039 -33.751 7.510 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 24.807 -34.210 7.851 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 24.018 -33.977 6.580 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 19.349 -38.860 6.844 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 19.493 -39.762 6.558 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 18.576 -38.574 6.356 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 20.181 -41.660 6.264 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 20.589 -42.517 6.143 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 19.921 -41.645 7.185 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 24.128 -42.651 3.638 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 23.510 -41.976 3.919 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 24.472 -42.330 2.805 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 24.468 -45.296 4.721 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 24.618 -46.025 4.118 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 24.470 -44.519 4.162 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 24.880 -46.926 2.213 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 25.416 -46.475 1.561 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 24.028 -47.034 1.791 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 22.946 -44.098 6.632 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 22.179 -44.630 6.422 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 23.625 -44.408 6.033 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 25.686 -49.470 2.645 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 25.588 -48.523 2.539 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 24.943 -49.842 2.169 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 21.127 -46.177 6.337 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 21.338 -46.884 5.726 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 21.015 -46.615 7.181 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 25.908 -50.176 5.316 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 26.620 -50.816 5.302 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 25.807 -49.909 4.402 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 19.376 -36.974 -9.971 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 20.290 -36.895 -9.698 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 19.383 -37.661 -10.638 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 18.025 -31.581 -4.894 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 17.378 -32.043 -5.427 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 18.380 -32.253 -4.311 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 18.573 -45.154 5.503 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 19.492 -45.276 5.739 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 18.123 -45.904 5.892 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 23.521 -34.697 2.265 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 23.096 -33.888 1.982 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 24.426 -34.612 1.963 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 22.479 -34.108 -2.122 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 22.260 -35.024 -1.953 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 23.303 -33.968 -1.656 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 25.016 -33.638 -1.274 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 25.229 -34.526 -1.561 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 25.081 -33.672 -0.319 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 19.688 -49.542 -8.504 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 20.127 -48.931 -9.095 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 19.054 -49.004 -8.030 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 25.431 -49.413 -4.494 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 26.305 -49.025 -4.524 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 25.295 -49.628 -3.571 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 19.589 -33.594 -7.606 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 18.904 -33.632 -8.274 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 19.592 -32.681 -7.318 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 21.549 -47.626 -10.061 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 22.040 -48.256 -10.589 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 22.172 -47.330 -9.398 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 20.809 -48.826 5.210 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 20.443 -49.591 5.653 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 21.722 -48.797 5.497 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 22.782 -49.475 6.746 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 23.681 -49.749 6.561 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 22.396 -50.218 7.210 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 21.231 -41.314 19.519 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 21.273 -41.940 20.243 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 21.934 -40.691 19.701 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 22.155 -36.864 18.054 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 21.785 -37.666 17.685 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 23.096 -37.033 18.101 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 23.548 -46.001 15.932 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 23.591 -45.141 15.514 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 23.090 -46.553 15.299 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 25.324 -42.054 15.910 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 25.940 -42.580 16.419 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 24.738 -42.694 15.506 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 21.952 -45.191 17.959 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 22.565 -44.558 18.332 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 22.464 -45.663 17.302 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 23.702 -40.100 14.794 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 23.372 -40.470 13.975 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 24.290 -40.770 15.140 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 24.069 -41.331 18.427 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 24.634 -41.210 17.664 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 24.388 -40.694 19.066 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 22.692 -41.030 12.383 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 22.400 -40.262 11.892 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 22.018 -41.690 12.220 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 18.785 -38.667 21.198 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 18.284 -38.695 20.383 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 18.791 -39.573 21.508 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 21.034 -37.344 22.241 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 21.251 -37.705 23.101 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 20.179 -37.718 22.031 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 23.744 -43.908 19.332 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 23.102 -43.949 20.041 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 23.781 -42.982 19.094 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 23.741 -43.687 14.244 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 22.848 -44.028 14.185 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 24.192 -44.064 13.488 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 21.494 -43.588 21.199 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 21.456 -43.188 22.067 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 21.003 -44.405 21.289 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 18.102 -46.472 15.049 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 18.733 -46.501 15.769 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 18.552 -46.897 14.319 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 19.377 -45.726 10.473 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 19.851 -45.135 9.888 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 18.659 -45.195 10.820 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 21.151 -44.631 14.157 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 20.262 -44.531 13.817 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 21.447 -45.473 13.811 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 23.478 -43.436 9.380 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 22.936 -43.816 8.689 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 24.312 -43.242 8.951 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 22.645 -47.336 13.635 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 22.328 -48.238 13.600 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 23.426 -47.334 13.083 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 21.938 -39.576 17.085 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 22.683 -39.578 16.484 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 22.016 -40.400 17.567 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 18.946 -41.115 22.400 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 19.169 -41.533 23.232 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 18.344 -41.728 21.978 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 24.313 -36.058 14.490 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 24.840 -35.285 14.289 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 23.433 -35.833 14.188 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 20.068 -41.196 9.077 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 20.684 -40.569 9.456 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 19.206 -40.880 9.348 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 25.740 -38.395 14.066 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 25.499 -37.470 14.108 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 25.000 -38.854 14.462 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 24.424 -33.373 13.611 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 23.474 -33.268 13.663 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 24.775 -32.553 13.956 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 20.231 -34.557 20.393 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 20.448 -35.489 20.362 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 20.478 -34.283 21.277 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 21.483 -39.283 10.569 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 20.797 -38.931 11.136 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 22.006 -38.520 10.323 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 25.106 -33.795 10.790 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 25.267 -32.995 10.289 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 24.909 -33.488 11.675 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 22.099 -36.669 9.466 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 22.691 -35.970 9.742 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 22.558 -37.102 8.747 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 20.415 -44.005 8.582 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 20.370 -43.066 8.761 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 19.527 -44.241 8.312 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 19.442 -32.670 24.746 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 19.982 -32.887 25.505 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 18.961 -33.476 24.556 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 23.690 -38.516 7.832 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 23.754 -39.310 8.363 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 24.343 -38.635 7.143 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 25.808 -31.610 9.402 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 26.741 -31.452 9.546 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 25.544 -30.935 8.777 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 19.794 -46.842 17.250 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 20.239 -47.634 17.552 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 20.260 -46.126 17.681 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 18.411 -47.585 12.374 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 17.486 -47.376 12.244 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 18.865 -47.101 11.684 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 18.375 -48.847 20.718 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 17.710 -49.093 21.361 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 17.932 -48.225 20.141 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 20.567 -35.672 24.862 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 19.746 -35.497 24.402 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 20.315 -35.745 25.783 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 20.923 -31.441 21.168 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 20.203 -31.001 20.717 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 20.557 -31.692 22.017 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 20.338 -32.818 18.079 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 20.319 -33.243 18.936 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 21.143 -33.136 17.670 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 22.479 -34.108 16.734 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 22.260 -35.024 16.903 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 23.303 -33.968 17.200 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 25.016 -33.638 17.582 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 25.229 -34.526 17.295 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 25.081 -33.672 18.537 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 19.688 -49.542 10.352 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 20.127 -48.931 9.761 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 19.054 -49.004 10.826 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 21.549 -47.626 8.795 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 22.040 -48.256 8.267 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 22.172 -47.330 9.458 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 21.407 -32.674 8.275 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 21.139 -32.387 9.148 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 22.178 -33.220 8.427 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 19.376 -36.974 27.741 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 20.290 -36.895 28.014 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 19.383 -37.661 27.074 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 21.407 -32.674 27.131 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 21.139 -32.387 28.004 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 22.178 -33.220 27.283 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 21.869 -21.878 -15.339 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 21.939 -21.227 -14.641 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 20.978 -21.775 -15.674 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 23.188 -16.004 -13.804 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 23.196 -16.140 -14.752 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 22.272 -16.122 -13.552 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 18.785 -19.811 -16.514 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 18.284 -19.839 -17.329 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 18.791 -20.717 -16.204 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 18.536 -17.031 -19.630 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 19.482 -17.175 -19.649 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 18.423 -16.247 -19.093 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 21.034 -18.488 -15.471 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 21.251 -18.849 -14.611 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.179 -18.862 -15.681 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 21.613 -20.023 -13.233 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 22.346 -19.769 -12.672 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 20.833 -19.819 -12.718 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 18.946 -22.259 -15.312 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 19.169 -22.677 -14.480 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 18.344 -22.872 -15.734 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 20.231 -15.701 -17.319 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 20.448 -16.633 -17.350 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 20.478 -15.427 -16.435 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 22.946 -25.242 -12.224 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 22.179 -25.774 -12.434 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 23.625 -25.552 -12.823 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 21.127 -27.321 -12.519 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 21.338 -28.028 -13.130 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 21.015 -27.759 -11.675 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 18.975 -21.569 -19.494 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 19.159 -21.651 -20.429 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 19.824 -21.693 -19.070 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 18.573 -26.298 -13.353 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 19.492 -26.420 -13.117 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 18.123 -27.048 -12.964 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 20.567 -16.816 -12.850 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 19.746 -16.641 -13.310 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 20.315 -16.889 -11.929 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 20.923 -12.585 -16.544 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 20.203 -12.145 -16.995 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 20.557 -12.836 -15.695 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 21.231 -22.458 0.663 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 21.273 -23.084 1.387 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 21.934 -21.835 0.845 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 18.765 -24.348 -5.409 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 18.317 -23.502 -5.427 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 18.204 -24.928 -5.924 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 19.475 -22.186 -3.283 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 19.689 -22.956 -2.756 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 20.213 -22.097 -3.886 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 23.548 -27.145 -2.924 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 23.591 -26.285 -3.342 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 23.090 -27.697 -3.557 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 20.168 -24.748 -2.162 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 20.822 -25.298 -1.730 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 20.192 -25.022 -3.078 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 21.952 -26.335 -0.897 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 22.565 -25.702 -0.524 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 22.464 -26.807 -1.554 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 19.456 -18.916 -6.993 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 19.184 -18.687 -7.882 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 19.501 -18.078 -6.533 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 26.384 -30.921 -1.397 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 26.267 -31.870 -1.451 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 25.529 -30.589 -1.124 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 21.869 -21.878 3.517 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 21.939 -21.227 4.215 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 20.978 -21.775 3.182 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 22.692 -22.174 -6.473 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 22.400 -21.406 -6.964 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 22.018 -22.834 -6.636 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 18.785 -19.811 2.342 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 18.284 -19.839 1.527 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 18.791 -20.717 2.652 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 18.536 -17.031 -0.774 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 19.482 -17.175 -0.793 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 18.423 -16.247 -0.237 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 21.034 -18.488 3.385 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 21.251 -18.849 4.245 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 20.179 -18.862 3.175 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 23.653 -30.018 -0.619 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 22.792 -30.105 -1.027 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 23.631 -29.162 -0.192 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 23.744 -25.052 0.476 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 23.102 -25.093 1.185 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 23.781 -24.126 0.238 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 21.494 -24.732 2.343 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 21.456 -24.332 3.211 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 21.003 -25.549 2.433 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 18.102 -27.616 -3.807 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 18.733 -27.645 -3.087 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 18.552 -28.041 -4.537 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 19.377 -26.870 -8.383 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 19.851 -26.279 -8.968 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 18.659 -26.339 -8.036 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 21.151 -25.775 -4.699 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 20.262 -25.675 -5.039 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 21.447 -26.617 -5.045 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 23.478 -24.580 -9.476 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 22.936 -24.960 -10.167 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 24.312 -24.386 -9.905 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 21.613 -20.023 5.623 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 22.346 -19.769 6.184 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 20.833 -19.819 6.138 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 22.645 -28.480 -5.221 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 22.328 -29.382 -5.256 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 23.426 -28.478 -5.773 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 26.269 -26.228 0.775 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 25.434 -25.774 0.885 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 26.793 -25.952 1.527 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 21.938 -20.720 -1.771 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 22.683 -20.722 -2.372 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 22.016 -21.544 -1.289 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 18.946 -22.259 3.544 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 19.169 -22.677 4.376 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 18.344 -22.872 3.122 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 25.963 -22.742 5.757 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 25.667 -22.908 4.862 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 26.894 -22.962 5.747 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 21.483 -20.427 -8.287 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 20.797 -20.075 -7.720 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 22.006 -19.664 -8.533 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 22.099 -17.813 -9.390 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 22.691 -17.114 -9.114 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 22.558 -18.246 -10.109 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 20.415 -25.149 -10.274 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 20.370 -24.210 -10.095 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 19.527 -25.385 -10.544 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 20.153 -16.427 -5.440 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 19.321 -15.954 -5.413 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 20.699 -15.917 -6.039 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 19.349 -20.004 6.844 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 19.493 -20.906 6.558 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 18.576 -19.718 6.356 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 23.690 -19.660 -11.024 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 23.754 -20.454 -10.493 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 24.343 -19.779 -11.713 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 20.181 -22.804 6.264 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 20.589 -23.661 6.143 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 19.921 -22.789 7.185 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 24.839 -21.688 -8.718 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 24.380 -22.172 -8.032 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 25.094 -22.356 -9.354 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 24.128 -23.795 3.638 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 23.510 -23.120 3.919 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 24.472 -23.474 2.805 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 24.468 -26.440 4.721 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 24.618 -27.169 4.118 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 24.470 -25.663 4.162 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 24.880 -28.070 2.213 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 25.416 -27.619 1.561 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 24.028 -28.178 1.791 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 25.686 -30.614 2.645 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 25.588 -29.667 2.539 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 24.943 -30.986 2.169 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 26.950 -26.292 6.208 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 26.714 -26.512 7.110 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 26.167 -26.499 5.699 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 25.908 -31.320 5.316 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 26.620 -31.960 5.302 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 25.807 -31.053 4.402 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 26.261 -29.637 7.370 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 26.130 -30.113 6.549 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 25.662 -28.893 7.314 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 18.025 -12.725 -4.894 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 17.378 -13.187 -5.427 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 18.380 -13.397 -4.311 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 18.895 -14.644 -3.089 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 18.561 -15.525 -2.917 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 19.117 -14.299 -2.225 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 18.975 -21.569 -0.638 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 19.159 -21.651 -1.573 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 19.824 -21.693 -0.214 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 18.098 -24.987 -0.537 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 18.590 -25.208 -1.327 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 18.460 -24.146 -0.256 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 18.411 -28.729 -6.482 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 17.486 -28.520 -6.612 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 18.865 -28.245 -7.172 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 20.567 -16.816 6.006 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 19.746 -16.641 5.546 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 20.315 -16.889 6.927 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 19.688 -30.686 -8.504 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 20.127 -30.075 -9.095 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 19.054 -30.148 -8.030 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 25.431 -30.557 -4.494 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 26.305 -30.169 -4.524 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 25.295 -30.772 -3.571 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 19.589 -14.738 -7.606 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 18.904 -14.776 -8.274 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 19.592 -13.825 -7.318 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 22.782 -30.619 6.746 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 23.681 -30.893 6.561 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 22.396 -31.362 7.210 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 21.407 -13.818 -10.581 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 21.139 -13.531 -9.708 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 22.178 -14.364 -10.429 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 21.231 -22.458 19.519 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 21.273 -23.084 20.243 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 21.934 -21.835 19.701 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 23.548 -27.145 15.932 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 23.591 -26.285 15.514 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 23.090 -27.697 15.299 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 20.168 -24.748 16.694 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 20.822 -25.298 17.126 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 20.192 -25.022 15.778 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 22.358 -28.227 20.006 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 22.139 -27.697 19.240 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 21.690 -28.000 20.654 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 21.952 -26.335 17.959 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 22.565 -25.702 18.332 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 22.464 -26.807 17.302 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 19.456 -18.916 11.863 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 19.184 -18.687 10.974 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 19.501 -18.078 12.323 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 23.702 -21.244 14.794 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 23.372 -21.614 13.975 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 24.290 -21.914 15.140 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 22.692 -22.174 12.383 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 22.400 -21.406 11.892 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 22.018 -22.834 12.220 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 23.653 -30.018 18.237 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 22.792 -30.105 17.829 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 23.631 -29.162 18.664 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 27.978 -27.803 8.896 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 27.724 -27.784 9.819 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 27.721 -28.675 8.595 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 23.741 -24.831 14.244 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 22.848 -25.172 14.185 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 24.192 -25.208 13.488 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 24.860 -27.358 7.997 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 24.429 -27.803 8.727 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 24.142 -26.986 7.485 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 21.151 -25.775 14.157 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 20.262 -25.675 13.817 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 21.447 -26.617 13.811 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 24.804 -25.775 11.813 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 25.736 -25.646 11.991 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 24.589 -25.105 11.164 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 23.478 -24.580 9.380 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 22.936 -24.960 8.689 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 24.312 -24.386 8.951 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 22.645 -28.480 13.635 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 22.328 -29.382 13.600 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 23.426 -28.478 13.083 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 21.938 -20.720 17.085 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 22.683 -20.722 16.484 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 22.016 -21.544 17.567 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 20.068 -22.340 9.077 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 20.684 -21.713 9.456 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 19.206 -22.024 9.348 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 20.580 -27.506 21.958 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 19.687 -27.167 21.891 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 20.481 -28.361 22.376 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 21.483 -20.427 10.569 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 20.797 -20.075 11.136 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 22.006 -19.664 10.323 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 23.840 -28.241 10.406 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 23.757 -27.352 10.752 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 24.730 -28.506 10.637 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 21.223 -30.367 17.255 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 20.994 -30.308 16.328 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 20.780 -31.159 17.562 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 23.690 -19.660 7.832 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 23.754 -20.454 8.363 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 24.343 -19.779 7.143 0.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 24.839 -21.688 10.138 0.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 24.380 -22.172 10.824 0.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 25.094 -22.356 9.502 0.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 25.910 -23.445 8.401 0.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 25.730 -23.599 7.473 0.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 26.861 -23.337 8.445 0.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 19.376 -18.118 8.885 0.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 20.290 -18.039 9.158 0.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 19.383 -18.805 8.218 0.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 18.975 -21.569 18.218 0.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 19.159 -21.651 17.283 0.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 19.824 -21.693 18.642 0.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 18.573 -26.298 24.359 0.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 19.492 -26.420 24.595 0.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 18.123 -27.048 24.748 0.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 19.794 -27.986 17.250 0.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 20.239 -28.778 17.552 0.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 20.260 -27.270 17.681 0.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 18.098 -24.987 18.319 0.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 18.590 -25.208 17.529 0.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 18.460 -24.146 18.600 0.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 18.375 -29.991 20.718 0.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 17.710 -30.237 21.361 0.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 17.932 -29.369 20.141 0.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 25.431 -30.557 14.362 0.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 26.305 -30.169 14.332 0.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 25.295 -30.772 15.285 0.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 26.575 -28.477 11.252 0.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 26.753 -29.123 11.935 0.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 26.521 -27.643 11.719 0.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 20.809 -29.970 24.066 0.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 20.443 -30.735 24.509 0.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 21.722 -29.941 24.353 0.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 21.231 -3.602 -18.193 0.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 21.273 -4.228 -17.469 0.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 21.934 -2.979 -18.011 0.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 20.168 -5.892 -21.018 0.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 20.822 -6.442 -20.586 0.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 20.192 -6.166 -21.934 0.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 22.358 -9.371 -17.706 0.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 22.139 -8.841 -18.472 0.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 21.690 -9.144 -17.058 0.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 21.952 -7.479 -19.753 0.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 22.565 -6.846 -19.380 0.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 22.464 -7.951 -20.410 0.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 21.869 -3.022 -15.339 0.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 21.939 -2.371 -14.641 0.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 20.978 -2.919 -15.674 0.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 18.785 -0.955 -16.514 0.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 18.284 -0.983 -17.329 0.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 18.791 -1.861 -16.204 0.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 21.494 -5.876 -16.513 0.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 21.456 -5.476 -15.645 0.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 21.003 -6.693 -16.423 0.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 18.946 -3.403 -15.312 0.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 19.169 -3.821 -14.480 0.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 18.344 -4.016 -15.734 0.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 20.580 -8.650 -15.754 0.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 19.687 -8.311 -15.821 0.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 20.481 -9.505 -15.336 0.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 19.349 -1.148 -12.012 0.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 19.493 -2.050 -12.298 0.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 18.576 -0.862 -12.500 0.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 20.181 -3.948 -12.592 0.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 20.589 -4.805 -12.713 0.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 19.921 -3.933 -11.671 0.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 22.946 -6.386 -12.224 0.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 22.179 -6.918 -12.434 0.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 23.625 -6.696 -12.823 0.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 21.127 -8.465 -12.519 0.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 21.338 -9.172 -13.130 0.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 21.015 -8.903 -11.675 0.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 18.975 -2.713 -19.494 0.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 19.159 -2.795 -20.429 0.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 19.824 -2.837 -19.070 0.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 19.794 -9.130 -20.462 0.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 20.239 -9.922 -20.160 0.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 20.260 -8.414 -20.031 0.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 18.098 -6.131 -19.393 0.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 18.590 -6.352 -20.183 0.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 18.460 -5.290 -19.112 0.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 18.375 -11.135 -16.994 0.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 17.710 -11.381 -16.351 0.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 17.932 -10.513 -17.571 0.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 20.809 -11.114 -13.646 0.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 20.443 -11.879 -13.203 0.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 21.722 -11.085 -13.359 0.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 22.782 -11.763 -12.110 0.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 23.681 -12.037 -12.295 0.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 22.396 -12.506 -11.646 0.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 19.377 -8.014 -8.383 0.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 19.851 -7.423 -8.968 0.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 18.659 -7.483 -8.036 0.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 20.068 -3.484 -9.779 0.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 20.684 -2.857 -9.400 0.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 19.206 -3.168 -9.508 0.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 20.415 -6.293 -10.274 0.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 20.370 -5.354 -10.095 0.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 19.527 -6.529 -10.544 0.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 18.411 -9.873 -6.482 0.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 17.486 -9.664 -6.612 0.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 18.865 -9.389 -7.172 0.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 19.688 -11.830 -8.504 0.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 20.127 -11.219 -9.095 0.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 19.054 -11.292 -8.030 0.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 21.549 -9.914 -10.061 0.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 22.040 -10.544 -10.589 0.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 22.172 -9.618 -9.398 0.00 0.00 WAT1 END