REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" 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:03-Sep-2010 14:05:16 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -2.007 -19.475 1.875 1.00 1.04 ATOM 2 CB MET 1 -3.999 -20.236 2.141 1.00 35.40 ATOM 3 HB1 MET 1 -4.650 -20.932 1.627 1.00 38.66 ATOM 4 HB2 MET 1 -4.553 -19.319 2.306 1.00 35.40 ATOM 5 CG MET 1 -3.643 -20.829 3.495 1.00 43.23 ATOM 6 HG1 MET 1 -2.948 -21.645 3.348 1.00 38.66 ATOM 7 HG2 MET 1 -4.546 -21.214 3.945 1.00 23.11 ATOM 8 SD MET 1 -2.889 -19.623 4.604 1.00 72.33 ATOM 9 CE MET 1 -4.058 -19.635 5.961 1.00 50.22 ATOM 10 HE1 MET 1 -3.732 -18.943 6.723 1.00 2.14 ATOM 11 HE2 MET 1 -4.115 -20.629 6.378 1.00 51.22 ATOM 12 HE3 MET 1 -5.032 -19.340 5.600 1.00 33.04 ATOM 13 C MET 1 -2.234 -21.209 0.658 1.00 15.34 ATOM 14 O MET 1 -2.929 -22.222 0.597 1.00 60.34 ATOM 15 N MET 1 -3.135 -18.962 0.232 1.00 62.34 ATOM 16 HT1 MET 1 -3.875 -19.348 -0.396 1.00 38.66 ATOM 17 HT2 MET 1 -2.298 -18.730 -0.345 1.00 38.66 ATOM 18 HT3 MET 1 -3.490 -18.080 0.661 1.00 38.66 ATOM 19 CA MET 1 -2.781 -19.923 1.270 1.00 12.23 ATOM 20 N GLY 2 -0.985 -21.159 0.207 1.00 62.53 ATOM 21 HN GLY 2 -0.476 -20.316 0.271 1.00 38.66 ATOM 22 CA GLY 2 -0.367 -22.327 -0.395 1.00 0.32 ATOM 23 HA1 GLY 2 -0.582 -22.326 -1.454 1.00 38.66 ATOM 24 HA2 GLY 2 -0.781 -23.229 0.042 1.00 52.40 ATOM 25 C GLY 2 1.135 -22.355 -0.195 1.00 64.22 ATOM 26 O GLY 2 1.624 -22.823 0.834 1.00 14.32 ATOM 27 N HIS 3 1.872 -21.855 -1.183 1.00 34.33 ATOM 28 HN HIS 3 1.433 -21.496 -1.988 1.00 38.66 ATOM 29 CA HIS 3 3.328 -21.826 -1.111 1.00 62.32 ATOM 30 HA HIS 3 3.650 -22.220 -0.151 1.00 1.24 ATOM 31 CB HIS 3 3.931 -22.692 -2.218 1.00 24.24 ATOM 32 HB1 HIS 3 4.989 -22.476 -2.315 1.00 38.66 ATOM 33 HB2 HIS 3 3.439 -22.466 -3.152 1.00 34.11 ATOM 34 CG HIS 3 3.792 -24.163 -1.971 1.00 14.24 ATOM 35 ND1 HIS 3 4.839 -25.050 -2.098 1.00 61.33 ATOM 36 HD1 HIS 3 5.756 -24.820 -2.356 1.00 45.53 ATOM 37 CD2 HIS 3 2.719 -24.900 -1.600 1.00 32.13 ATOM 38 HD2 HIS 3 1.716 -24.544 -1.448 1.00 61.42 ATOM 39 CE1 HIS 3 4.416 -26.270 -1.818 1.00 63.25 ATOM 40 HE1 HIS 3 5.018 -27.167 -1.835 1.00 70.22 ATOM 41 NE2 HIS 3 3.133 -26.206 -1.512 1.00 61.43 ATOM 42 HE2 HIS 3 2.595 -26.952 -1.173 1.00 38.66 ATOM 43 C HIS 3 3.849 -20.397 -1.226 1.00 64.03 ATOM 44 O HIS 3 4.209 -19.942 -2.313 1.00 24.24 ATOM 45 N HIS 4 3.886 -19.693 -0.099 1.00 64.13 ATOM 46 HN HIS 4 3.597 -20.115 0.746 1.00 38.66 ATOM 47 CA HIS 4 4.364 -18.315 -0.074 1.00 15.00 ATOM 48 HA HIS 4 4.091 -17.844 -1.014 1.00 43.13 ATOM 49 CB HIS 4 3.710 -17.548 1.076 1.00 51.22 ATOM 50 HB1 HIS 4 4.281 -17.681 1.987 1.00 38.66 ATOM 51 HB2 HIS 4 2.711 -17.931 1.233 1.00 2.12 ATOM 52 CG HIS 4 3.584 -16.078 0.820 1.00 51.54 ATOM 53 ND1 HIS 4 4.494 -15.152 1.284 1.00 1.23 ATOM 54 HD1 HIS 4 5.294 -15.351 1.814 1.00 33.34 ATOM 55 CD2 HIS 4 2.648 -15.374 0.141 1.00 74.33 ATOM 56 HD2 HIS 4 1.781 -15.779 -0.361 1.00 54.10 ATOM 57 CE1 HIS 4 4.122 -13.943 0.904 1.00 42.41 ATOM 58 HE1 HIS 4 4.644 -13.023 1.124 1.00 52.44 ATOM 59 NE2 HIS 4 3.005 -14.050 0.208 1.00 33.00 ATOM 60 HE2 HIS 4 2.463 -13.298 -0.110 1.00 38.66 ATOM 61 C HIS 4 5.882 -18.268 0.066 1.00 61.31 ATOM 62 O HIS 4 6.572 -17.652 -0.747 1.00 20.00 ATOM 63 N HIS 5 6.397 -18.923 1.102 1.00 14.22 ATOM 64 HN HIS 5 5.787 -19.365 1.735 1.00 38.66 ATOM 65 CA HIS 5 7.834 -18.956 1.349 1.00 52.34 ATOM 66 HA HIS 5 8.212 -17.942 1.286 1.00 44.40 ATOM 67 CB HIS 5 8.120 -19.496 2.750 1.00 2.51 ATOM 68 HB1 HIS 5 7.500 -18.973 3.464 1.00 38.66 ATOM 69 HB2 HIS 5 9.159 -19.324 2.989 1.00 61.23 ATOM 70 CG HIS 5 7.853 -20.962 2.893 1.00 21.31 ATOM 71 ND1 HIS 5 8.653 -21.804 3.637 1.00 40.12 ATOM 72 HD1 HIS 5 9.455 -21.540 4.134 1.00 75.31 ATOM 73 CD2 HIS 5 6.866 -21.736 2.384 1.00 64.34 ATOM 74 HD2 HIS 5 6.060 -21.415 1.744 1.00 32.34 ATOM 75 CE1 HIS 5 8.171 -23.032 3.577 1.00 20.52 ATOM 76 HE1 HIS 5 8.591 -23.900 4.063 1.00 10.24 ATOM 77 NE2 HIS 5 7.087 -23.018 2.823 1.00 34.52 ATOM 78 HE2 HIS 5 6.483 -23.778 2.688 1.00 38.66 ATOM 79 C HIS 5 8.544 -19.813 0.305 1.00 4.24 ATOM 80 O HIS 5 7.935 -20.682 -0.318 1.00 70.42 ATOM 81 N HIS 6 9.836 -19.561 0.120 1.00 25.11 ATOM 82 HN HIS 6 10.278 -18.854 0.643 1.00 38.66 ATOM 83 CA HIS 6 10.630 -20.310 -0.848 1.00 40.20 ATOM 84 HA HIS 6 11.635 -19.927 -0.791 1.00 25.44 ATOM 85 CB HIS 6 10.620 -21.799 -0.504 1.00 24.51 ATOM 86 HB1 HIS 6 9.685 -22.246 -0.815 1.00 38.66 ATOM 87 HB2 HIS 6 10.723 -21.914 0.566 1.00 10.40 ATOM 88 CG HIS 6 11.733 -22.570 -1.146 1.00 53.23 ATOM 89 ND1 HIS 6 12.943 -22.003 -1.485 1.00 41.21 ATOM 90 HD1 HIS 6 13.206 -21.073 -1.340 1.00 73.15 ATOM 91 CD2 HIS 6 11.813 -23.871 -1.510 1.00 65.01 ATOM 92 HD2 HIS 6 11.041 -24.619 -1.391 1.00 63.54 ATOM 93 CE1 HIS 6 13.720 -22.921 -2.031 1.00 74.43 ATOM 94 HE1 HIS 6 14.726 -22.764 -2.392 1.00 55.30 ATOM 95 NE2 HIS 6 13.058 -24.064 -2.058 1.00 31.23 ATOM 96 HE2 HIS 6 13.434 -24.928 -2.326 1.00 38.66 ATOM 97 C HIS 6 10.101 -20.099 -2.263 1.00 74.24 ATOM 98 O HIS 6 10.254 -20.961 -3.129 1.00 63.14 ATOM 99 N HIS 7 9.476 -18.948 -2.491 1.00 60.13 ATOM 100 HN HIS 7 9.410 -18.269 -1.783 1.00 38.66 ATOM 101 CA HIS 7 8.924 -18.624 -3.802 1.00 34.51 ATOM 102 HA HIS 7 8.919 -19.520 -4.416 1.00 73.42 ATOM 103 CB HIS 7 7.479 -18.142 -3.665 1.00 21.41 ATOM 104 HB1 HIS 7 7.456 -17.257 -3.044 1.00 38.66 ATOM 105 HB2 HIS 7 6.893 -18.918 -3.195 1.00 34.20 ATOM 106 CG HIS 7 6.832 -17.809 -4.974 1.00 3.20 ATOM 107 ND1 HIS 7 6.180 -18.743 -5.751 1.00 44.20 ATOM 108 HD1 HIS 7 6.075 -19.693 -5.537 1.00 1.03 ATOM 109 CD2 HIS 7 6.738 -16.635 -5.641 1.00 43.22 ATOM 110 HD2 HIS 7 7.138 -15.683 -5.322 1.00 32.24 ATOM 111 CE1 HIS 7 5.715 -18.158 -6.840 1.00 72.34 ATOM 112 HE1 HIS 7 5.161 -18.643 -7.630 1.00 63.12 ATOM 113 NE2 HIS 7 6.040 -16.879 -6.798 1.00 14.31 ATOM 114 HE2 HIS 7 5.736 -16.198 -7.434 1.00 38.66 ATOM 115 C HIS 7 9.764 -17.558 -4.498 1.00 23.33 ATOM 116 O HIS 7 9.698 -16.378 -4.153 1.00 52.11 ATOM 117 N HIS 8 10.556 -17.982 -5.478 1.00 73.11 ATOM 118 HN HIS 8 10.562 -18.938 -5.722 1.00 38.66 ATOM 119 CA HIS 8 11.410 -17.063 -6.222 1.00 70.42 ATOM 120 HA HIS 8 11.539 -16.151 -5.648 1.00 50.12 ATOM 121 CB HIS 8 12.785 -17.689 -6.457 1.00 60.22 ATOM 122 HB1 HIS 8 13.316 -17.132 -7.220 1.00 38.66 ATOM 123 HB2 HIS 8 12.662 -18.709 -6.787 1.00 61.33 ATOM 124 CG HIS 8 13.650 -17.712 -5.234 1.00 54.14 ATOM 125 ND1 HIS 8 13.144 -17.638 -3.954 1.00 20.23 ATOM 126 HD1 HIS 8 12.214 -17.558 -3.703 1.00 14.10 ATOM 127 CD2 HIS 8 14.994 -17.803 -5.102 1.00 53.41 ATOM 128 HD2 HIS 8 15.713 -17.879 -5.905 1.00 1.33 ATOM 129 CE1 HIS 8 14.140 -17.681 -3.087 1.00 13.35 ATOM 130 HE1 HIS 8 14.044 -17.642 -2.012 1.00 3.02 ATOM 131 NE2 HIS 8 15.273 -17.781 -3.758 1.00 12.13 ATOM 132 HE2 HIS 8 16.156 -17.925 -3.358 1.00 38.66 ATOM 133 C HIS 8 10.773 -16.690 -7.557 1.00 70.14 ATOM 134 O HIS 8 10.265 -15.581 -7.725 1.00 62.45 ATOM 135 N SER 9 10.804 -17.623 -8.504 1.00 5.30 ATOM 136 HN SER 9 11.187 -18.507 -8.320 1.00 38.66 ATOM 137 CA SER 9 10.234 -17.390 -9.826 1.00 4.22 ATOM 138 HA SER 9 10.473 -18.242 -10.445 1.00 30.52 ATOM 139 CB SER 9 8.713 -17.255 -9.732 1.00 4.42 ATOM 140 HB1 SER 9 8.431 -16.231 -9.519 1.00 38.66 ATOM 141 HB2 SER 9 8.349 -17.891 -8.936 1.00 51.02 ATOM 142 OG SER 9 8.090 -17.664 -10.936 1.00 75.54 ATOM 143 HG SER 9 8.131 -16.951 -11.579 1.00 24.20 ATOM 144 C SER 9 10.829 -16.137 -10.461 1.00 4.20 ATOM 145 O SER 9 10.108 -15.299 -11.003 1.00 12.10 ATOM 146 N HIS 10 12.151 -16.015 -10.390 1.00 22.52 ATOM 147 HN HIS 10 12.683 -16.728 -9.964 1.00 38.66 ATOM 148 CA HIS 10 12.845 -14.865 -10.958 1.00 61.21 ATOM 149 HA HIS 10 12.186 -14.004 -10.897 1.00 33.31 ATOM 150 CB HIS 10 14.121 -14.571 -10.168 1.00 72.23 ATOM 151 HB1 HIS 10 14.952 -15.132 -10.577 1.00 38.66 ATOM 152 HB2 HIS 10 13.976 -14.868 -9.138 1.00 43.33 ATOM 153 CG HIS 10 14.501 -13.122 -10.162 1.00 33.53 ATOM 154 ND1 HIS 10 14.969 -12.472 -9.039 1.00 60.44 ATOM 155 HD1 HIS 10 15.098 -12.876 -8.155 1.00 41.11 ATOM 156 CD2 HIS 10 14.481 -12.198 -11.150 1.00 1.53 ATOM 157 HD2 HIS 10 14.172 -12.357 -12.172 1.00 63.22 ATOM 158 CE1 HIS 10 15.219 -11.210 -9.337 1.00 3.10 ATOM 159 HE1 HIS 10 15.596 -10.463 -8.654 1.00 24.00 ATOM 160 NE2 HIS 10 14.932 -11.017 -10.612 1.00 20.33 ATOM 161 HE2 HIS 10 14.933 -10.148 -11.066 1.00 38.66 ATOM 162 C HIS 10 13.185 -15.107 -12.426 1.00 4.43 ATOM 163 O HIS 10 13.032 -14.217 -13.262 1.00 62.34 ATOM 164 N MET 11 13.648 -16.315 -12.730 1.00 3.42 ATOM 165 HN MET 11 13.759 -16.985 -12.015 1.00 38.66 ATOM 166 CA MET 11 14.010 -16.672 -14.097 1.00 32.34 ATOM 167 HA MET 11 14.699 -15.917 -14.464 1.00 41.54 ATOM 168 CB MET 11 14.702 -18.036 -14.123 1.00 61.35 ATOM 169 HB1 MET 11 14.399 -18.561 -15.013 1.00 38.66 ATOM 170 HB2 MET 11 14.388 -18.614 -13.264 1.00 4.02 ATOM 171 CG MET 11 16.219 -17.948 -14.100 1.00 24.25 ATOM 172 HG1 MET 11 16.528 -17.552 -13.144 1.00 38.66 ATOM 173 HG2 MET 11 16.544 -17.282 -14.887 1.00 52.24 ATOM 174 SD MET 11 17.012 -19.549 -14.345 1.00 60.02 ATOM 175 CE MET 11 16.364 -20.004 -15.952 1.00 23.52 ATOM 176 HE1 MET 11 15.777 -20.906 -15.861 1.00 64.03 ATOM 177 HE2 MET 11 17.185 -20.177 -16.628 1.00 72.43 ATOM 178 HE3 MET 11 15.750 -19.216 -16.355 1.00 41.33 ATOM 179 C MET 11 12.778 -16.696 -14.996 1.00 61.41 ATOM 180 O MET 11 11.840 -17.459 -14.761 1.00 14.34 ATOM 181 N LEU 12 12.787 -15.858 -16.026 1.00 41.05 ATOM 182 HN LEU 12 13.559 -15.258 -16.161 1.00 38.66 ATOM 183 CA LEU 12 11.670 -15.783 -16.962 1.00 30.03 ATOM 184 HA LEU 12 11.108 -16.710 -16.910 1.00 0.33 ATOM 185 CB LEU 12 10.738 -14.631 -16.582 1.00 34.42 ATOM 186 HB1 LEU 12 9.840 -14.711 -17.182 1.00 38.66 ATOM 187 HB2 LEU 12 11.238 -13.704 -16.851 1.00 2.52 ATOM 188 CG LEU 12 10.341 -14.547 -15.107 1.00 70.44 ATOM 189 HG LEU 12 11.160 -14.821 -14.482 1.00 40.21 ATOM 190 CD1 LEU 12 9.967 -13.121 -14.736 1.00 3.24 ATOM 191 HD11 LEU 12 10.811 -12.469 -14.911 1.00 30.24 ATOM 192 HD12 LEU 12 9.696 -13.076 -13.690 1.00 14.41 ATOM 193 HD13 LEU 12 9.132 -12.794 -15.337 1.00 34.31 ATOM 194 CD2 LEU 12 9.190 -15.497 -14.810 1.00 13.01 ATOM 195 HD21 LEU 12 8.327 -15.222 -15.402 1.00 42.22 ATOM 196 HD22 LEU 12 8.937 -15.444 -13.760 1.00 65.42 ATOM 197 HD23 LEU 12 9.484 -16.509 -15.053 1.00 3.14 ATOM 198 C LEU 12 12.168 -15.598 -18.391 1.00 62.55 ATOM 199 O LEU 12 13.059 -14.789 -18.651 1.00 50.40 ATOM 200 N THR 13 11.586 -16.354 -19.318 1.00 1.12 ATOM 201 HN THR 13 10.891 -16.986 -19.037 1.00 38.66 ATOM 202 CA THR 13 11.970 -16.273 -20.722 1.00 33.35 ATOM 203 HA THR 13 13.052 -16.283 -20.784 1.00 72.34 ATOM 204 CB THR 13 11.438 -17.479 -21.519 1.00 62.03 ATOM 205 HB THR 13 11.926 -18.367 -21.157 1.00 30.31 ATOM 206 OG1 THR 13 11.725 -17.310 -22.912 1.00 54.30 ATOM 207 HG1 THR 13 11.764 -18.169 -23.340 1.00 54.21 ATOM 208 CG2 THR 13 9.939 -17.641 -21.321 1.00 13.23 ATOM 209 HG21 THR 13 9.730 -17.926 -20.304 1.00 41.34 ATOM 210 HG22 THR 13 9.580 -18.416 -21.982 1.00 53.33 ATOM 211 HG23 THR 13 9.426 -16.719 -21.551 1.00 63.24 ATOM 212 C THR 13 11.453 -14.989 -21.360 1.00 4.23 ATOM 213 O THR 13 12.009 -14.507 -22.347 1.00 51.31 ATOM 214 N LYS 14 10.387 -14.437 -20.790 1.00 24.44 ATOM 215 HN LYS 14 9.954 -14.875 -20.023 1.00 38.66 ATOM 216 CA LYS 14 9.796 -13.207 -21.301 1.00 41.32 ATOM 217 HA LYS 14 10.536 -12.676 -21.890 1.00 3.35 ATOM 218 CB LYS 14 8.582 -13.525 -22.176 1.00 73.32 ATOM 219 HB1 LYS 14 7.842 -12.756 -22.068 1.00 38.66 ATOM 220 HB2 LYS 14 8.155 -14.459 -21.848 1.00 24.34 ATOM 221 CG LYS 14 8.916 -13.670 -23.651 1.00 33.43 ATOM 222 HG1 LYS 14 8.661 -14.673 -23.968 1.00 38.66 ATOM 223 HG2 LYS 14 9.977 -13.513 -23.806 1.00 25.53 ATOM 224 CD LYS 14 8.157 -12.661 -24.496 1.00 44.02 ATOM 225 HD1 LYS 14 8.776 -12.392 -25.339 1.00 38.66 ATOM 226 HD2 LYS 14 7.939 -11.770 -23.921 1.00 54.41 ATOM 227 CE LYS 14 6.855 -13.243 -25.024 1.00 51.31 ATOM 228 HE1 LYS 14 6.359 -13.791 -24.232 1.00 38.66 ATOM 229 HE2 LYS 14 7.080 -13.915 -25.838 1.00 40.45 ATOM 230 NZ LYS 14 5.933 -12.182 -25.517 1.00 44.13 ATOM 231 HZ1 LYS 14 6.378 -11.647 -26.292 1.00 64.23 ATOM 232 HZ2 LYS 14 5.695 -11.523 -24.747 1.00 23.41 ATOM 233 HZ3 LYS 14 5.054 -12.612 -25.870 1.00 62.02 ATOM 234 C LYS 14 9.384 -12.285 -20.158 1.00 4.31 ATOM 235 O LYS 14 9.571 -12.612 -18.985 1.00 43.44 ATOM 236 N HIS 15 8.822 -11.132 -20.506 1.00 52.15 ATOM 237 HN HIS 15 8.687 -10.932 -21.457 1.00 38.66 ATOM 238 CA HIS 15 8.381 -10.164 -19.509 1.00 4.54 ATOM 239 HA HIS 15 9.220 -9.946 -18.857 1.00 2.15 ATOM 240 CB HIS 15 7.941 -8.866 -20.186 1.00 55.23 ATOM 241 HB1 HIS 15 7.596 -8.168 -19.434 1.00 38.66 ATOM 242 HB2 HIS 15 7.132 -9.079 -20.869 1.00 4.54 ATOM 243 CG HIS 15 9.031 -8.197 -20.965 1.00 54.44 ATOM 244 ND1 HIS 15 9.644 -7.033 -20.554 1.00 4.54 ATOM 245 HD1 HIS 15 9.437 -6.536 -19.735 1.00 72.42 ATOM 246 CD2 HIS 15 9.618 -8.536 -22.137 1.00 12.40 ATOM 247 HD2 HIS 15 9.379 -9.391 -22.752 1.00 32.23 ATOM 248 CE1 HIS 15 10.561 -6.683 -21.439 1.00 34.50 ATOM 249 HE1 HIS 15 11.199 -5.814 -21.378 1.00 23.22 ATOM 250 NE2 HIS 15 10.565 -7.579 -22.409 1.00 71.45 ATOM 251 HE2 HIS 15 11.208 -7.608 -23.148 1.00 38.66 ATOM 252 C HIS 15 7.238 -10.728 -18.671 1.00 73.13 ATOM 253 O HIS 15 6.068 -10.591 -19.027 1.00 61.35 ATOM 254 N GLY 16 7.585 -11.364 -17.556 1.00 74.13 ATOM 255 HN GLY 16 8.534 -11.448 -17.311 1.00 38.66 ATOM 256 CA GLY 16 6.576 -11.941 -16.687 1.00 11.54 ATOM 257 HA1 GLY 16 6.021 -11.142 -16.217 1.00 38.66 ATOM 258 HA2 GLY 16 7.064 -12.523 -15.921 1.00 25.31 ATOM 259 C GLY 16 5.607 -12.834 -17.435 1.00 62.32 ATOM 260 O GLY 16 4.391 -12.682 -17.316 1.00 62.23 ATOM 261 N LYS 17 6.146 -13.769 -18.211 1.00 33.22 ATOM 262 HN LYS 17 7.123 -13.822 -18.295 1.00 38.66 ATOM 263 CA LYS 17 5.322 -14.691 -18.983 1.00 33.51 ATOM 264 HA LYS 17 4.276 -14.484 -18.796 1.00 52.13 ATOM 265 CB LYS 17 5.586 -14.514 -20.480 1.00 5.43 ATOM 266 HB1 LYS 17 4.840 -15.067 -21.034 1.00 38.66 ATOM 267 HB2 LYS 17 6.559 -14.912 -20.714 1.00 30.42 ATOM 268 CG LYS 17 5.546 -13.066 -20.937 1.00 3.44 ATOM 269 HG1 LYS 17 5.735 -13.049 -22.002 1.00 38.66 ATOM 270 HG2 LYS 17 6.313 -12.515 -20.431 1.00 22.12 ATOM 271 CD LYS 17 4.192 -12.432 -20.664 1.00 24.11 ATOM 272 HD1 LYS 17 4.141 -12.142 -19.631 1.00 38.66 ATOM 273 HD2 LYS 17 3.406 -13.145 -20.878 1.00 44.43 ATOM 274 CE LYS 17 3.970 -11.199 -21.526 1.00 71.35 ATOM 275 HE1 LYS 17 4.298 -11.403 -22.538 1.00 38.66 ATOM 276 HE2 LYS 17 4.549 -10.383 -21.120 1.00 63.34 ATOM 277 NZ LYS 17 2.536 -10.800 -21.564 1.00 12.11 ATOM 278 HZ1 LYS 17 1.956 -11.570 -21.958 1.00 33.14 ATOM 279 HZ2 LYS 17 2.418 -9.957 -22.161 1.00 73.34 ATOM 280 HZ3 LYS 17 2.196 -10.579 -20.605 1.00 41.25 ATOM 281 C LYS 17 5.594 -16.136 -18.576 1.00 24.01 ATOM 282 O LYS 17 4.710 -16.988 -18.646 1.00 14.20 ATOM 283 N ASN 18 6.824 -16.404 -18.149 1.00 43.31 ATOM 284 HN ASN 18 7.511 -15.709 -18.133 1.00 38.66 ATOM 285 CA ASN 18 7.213 -17.745 -17.730 1.00 33.43 ATOM 286 HA ASN 18 8.215 -17.653 -17.341 1.00 44.10 ATOM 287 CB ASN 18 6.279 -18.248 -16.627 1.00 74.00 ATOM 288 HB1 ASN 18 5.525 -18.903 -17.042 1.00 38.66 ATOM 289 HB2 ASN 18 5.788 -17.403 -16.163 1.00 42.22 ATOM 290 CG ASN 18 7.020 -19.002 -15.540 1.00 44.21 ATOM 291 OD1 ASN 18 7.132 -20.227 -15.584 1.00 74.01 ATOM 292 ND2 ASN 18 7.532 -18.270 -14.557 1.00 21.41 ATOM 293 HD21 ASN 18 7.399 -17.303 -14.572 1.00 63.02 ATOM 294 HD22 ASN 18 8.027 -18.735 -13.850 1.00 62.04 ATOM 295 C ASN 18 7.191 -18.712 -18.910 1.00 14.00 ATOM 296 O ASN 18 6.304 -18.669 -19.763 1.00 70.01 ATOM 297 N PRO 19 8.189 -19.606 -18.961 1.00 61.12 ATOM 298 CA PRO 19 8.306 -20.601 -20.031 1.00 64.31 ATOM 299 HA PRO 19 8.281 -20.139 -21.008 1.00 62.22 ATOM 300 CB PRO 19 9.686 -21.220 -19.791 1.00 11.42 ATOM 301 HB1 PRO 19 10.410 -20.694 -20.391 1.00 38.66 ATOM 302 HB2 PRO 19 9.692 -22.271 -20.055 1.00 65.13 ATOM 303 CG PRO 19 9.945 -21.015 -18.338 1.00 40.31 ATOM 304 HG1 PRO 19 11.006 -20.946 -18.171 1.00 38.66 ATOM 305 HG2 PRO 19 9.525 -21.821 -17.769 1.00 41.34 ATOM 306 CD PRO 19 9.280 -19.715 -17.978 1.00 41.22 ATOM 307 HD1 PRO 19 9.976 -18.896 -18.086 1.00 38.66 ATOM 308 HD2 PRO 19 8.917 -19.762 -16.982 1.00 60.41 ATOM 309 C PRO 19 7.222 -21.670 -19.950 1.00 21.41 ATOM 310 O PRO 19 6.610 -22.026 -20.957 1.00 63.32 ATOM 311 N VAL 20 6.988 -22.179 -18.744 1.00 63.23 ATOM 312 HN VAL 20 7.456 -21.806 -17.976 1.00 38.66 ATOM 313 CA VAL 20 5.976 -23.207 -18.531 1.00 41.14 ATOM 314 HA VAL 20 6.313 -24.107 -19.026 1.00 42.33 ATOM 315 CB VAL 20 5.793 -23.512 -17.033 1.00 32.31 ATOM 316 HB VAL 20 5.363 -22.644 -16.550 1.00 53.03 ATOM 317 CG1 VAL 20 4.841 -24.682 -16.839 1.00 33.52 ATOM 318 HG11 VAL 20 4.439 -24.636 -15.838 1.00 12.11 ATOM 319 HG12 VAL 20 5.370 -25.604 -16.950 1.00 1.35 ATOM 320 HG13 VAL 20 4.023 -24.651 -17.542 1.00 23.44 ATOM 321 CG2 VAL 20 7.137 -23.794 -16.379 1.00 10.23 ATOM 322 HG21 VAL 20 6.984 -24.116 -15.357 1.00 64.30 ATOM 323 HG22 VAL 20 7.738 -22.901 -16.373 1.00 54.11 ATOM 324 HG23 VAL 20 7.654 -24.573 -16.923 1.00 74.31 ATOM 325 C VAL 20 4.634 -22.787 -19.121 1.00 64.32 ATOM 326 O VAL 20 4.081 -23.473 -19.980 1.00 41.14 ATOM 327 N MET 21 4.117 -21.656 -18.654 1.00 13.00 ATOM 328 HN MET 21 4.631 -21.140 -17.991 1.00 38.66 ATOM 329 CA MET 21 2.840 -21.144 -19.137 1.00 14.31 ATOM 330 HA MET 21 2.081 -21.888 -18.934 1.00 33.40 ATOM 331 CB MET 21 2.473 -19.853 -18.402 1.00 52.11 ATOM 332 HB1 MET 21 1.454 -19.595 -18.661 1.00 38.66 ATOM 333 HB2 MET 21 3.132 -19.057 -18.728 1.00 13.04 ATOM 334 CG MET 21 2.585 -19.962 -16.890 1.00 41.50 ATOM 335 HG1 MET 21 3.620 -19.857 -16.608 1.00 38.66 ATOM 336 HG2 MET 21 2.225 -20.932 -16.573 1.00 61.33 ATOM 337 SD MET 21 1.629 -18.698 -16.030 1.00 13.00 ATOM 338 CE MET 21 2.672 -17.262 -16.270 1.00 53.22 ATOM 339 HE1 MET 21 3.680 -17.499 -15.977 1.00 63.14 ATOM 340 HE2 MET 21 2.304 -16.446 -15.666 1.00 44.10 ATOM 341 HE3 MET 21 2.654 -16.975 -17.310 1.00 45.43 ATOM 342 C MET 21 2.889 -20.890 -20.640 1.00 60.23 ATOM 343 O MET 21 1.981 -21.279 -21.374 1.00 12.21 ATOM 344 N GLU 22 3.955 -20.236 -21.091 1.00 60.21 ATOM 345 HN GLU 22 4.647 -19.938 -20.453 1.00 38.66 ATOM 346 CA GLU 22 4.120 -19.931 -22.507 1.00 45.33 ATOM 347 HA GLU 22 3.348 -19.230 -22.789 1.00 2.41 ATOM 348 CB GLU 22 5.487 -19.290 -22.757 1.00 41.52 ATOM 349 HB1 GLU 22 6.251 -19.925 -22.332 1.00 38.66 ATOM 350 HB2 GLU 22 5.508 -18.335 -22.250 1.00 33.11 ATOM 351 CG GLU 22 5.803 -19.084 -24.229 1.00 50.11 ATOM 352 HG1 GLU 22 4.887 -18.875 -24.768 1.00 38.66 ATOM 353 HG2 GLU 22 6.239 -19.986 -24.613 1.00 4.12 ATOM 354 CD GLU 22 6.763 -17.934 -24.465 1.00 13.22 ATOM 355 OE1 GLU 22 6.540 -16.847 -23.891 1.00 72.33 ATOM 356 OE2 GLU 22 7.737 -18.121 -25.223 1.00 63.21 ATOM 357 C GLU 22 3.974 -21.190 -23.356 1.00 65.23 ATOM 358 O GLU 22 3.073 -21.290 -24.190 1.00 45.43 ATOM 359 N LEU 23 4.867 -22.150 -23.138 1.00 52.15 ATOM 360 HN LEU 23 5.564 -22.015 -22.454 1.00 38.66 ATOM 361 CA LEU 23 4.839 -23.404 -23.883 1.00 51.13 ATOM 362 HA LEU 23 5.028 -23.177 -24.921 1.00 12.41 ATOM 363 CB LEU 23 5.930 -24.347 -23.373 1.00 73.31 ATOM 364 HB1 LEU 23 5.699 -24.589 -22.341 1.00 38.66 ATOM 365 HB2 LEU 23 6.867 -23.811 -23.383 1.00 75.34 ATOM 366 CG LEU 23 6.103 -25.654 -24.147 1.00 74.54 ATOM 367 HG LEU 23 5.142 -26.114 -24.299 1.00 12.13 ATOM 368 CD1 LEU 23 6.706 -25.387 -25.517 1.00 63.55 ATOM 369 HD11 LEU 23 6.102 -24.664 -26.042 1.00 21.13 ATOM 370 HD12 LEU 23 6.731 -26.307 -26.084 1.00 52.31 ATOM 371 HD13 LEU 23 7.709 -25.008 -25.410 1.00 14.51 ATOM 372 CD2 LEU 23 6.968 -26.629 -23.362 1.00 30.10 ATOM 373 HD21 LEU 23 7.811 -26.109 -22.936 1.00 10.43 ATOM 374 HD22 LEU 23 7.339 -27.396 -24.010 1.00 64.14 ATOM 375 HD23 LEU 23 6.387 -27.073 -22.570 1.00 54.15 ATOM 376 C LEU 23 3.475 -24.076 -23.767 1.00 55.14 ATOM 377 O LEU 23 3.052 -24.804 -24.664 1.00 64.33 ATOM 378 N ASN 24 2.789 -23.824 -22.657 1.00 51.31 ATOM 379 HN ASN 24 3.192 -23.278 -21.949 1.00 38.66 ATOM 380 CA ASN 24 1.471 -24.403 -22.425 1.00 32.15 ATOM 381 HA ASN 24 1.550 -25.473 -22.576 1.00 74.13 ATOM 382 CB ASN 24 1.010 -24.117 -20.994 1.00 24.33 ATOM 383 HB1 ASN 24 0.169 -23.434 -21.003 1.00 38.66 ATOM 384 HB2 ASN 24 1.808 -23.661 -20.436 1.00 41.22 ATOM 385 CG ASN 24 0.576 -25.374 -20.264 1.00 43.11 ATOM 386 OD1 ASN 24 -0.036 -26.266 -20.851 1.00 55.34 ATOM 387 ND2 ASN 24 0.893 -25.449 -18.977 1.00 33.54 ATOM 388 HD21 ASN 24 1.384 -24.706 -18.559 1.00 14.10 ATOM 389 HD22 ASN 24 0.622 -26.254 -18.488 1.00 32.30 ATOM 390 C ASN 24 0.452 -23.853 -23.418 1.00 31.10 ATOM 391 O ASN 24 -0.522 -24.524 -23.758 1.00 10.12 ATOM 392 N GLU 25 0.685 -22.628 -23.880 1.00 20.53 ATOM 393 HN GLU 25 1.468 -22.127 -23.571 1.00 38.66 ATOM 394 CA GLU 25 -0.213 -21.989 -24.834 1.00 40.11 ATOM 395 HA GLU 25 -1.209 -22.398 -24.710 1.00 33.21 ATOM 396 CB GLU 25 -0.277 -20.482 -24.577 1.00 11.12 ATOM 397 HB1 GLU 25 -0.920 -20.030 -25.325 1.00 38.66 ATOM 398 HB2 GLU 25 0.718 -20.069 -24.674 1.00 15.21 ATOM 399 CG GLU 25 -0.805 -20.122 -23.198 1.00 55.34 ATOM 400 HG1 GLU 25 0.024 -20.098 -22.506 1.00 38.66 ATOM 401 HG2 GLU 25 -1.518 -20.871 -22.877 1.00 32.44 ATOM 402 CD GLU 25 -1.496 -18.772 -23.173 1.00 3.23 ATOM 403 OE1 GLU 25 -2.623 -18.671 -23.700 1.00 41.10 ATOM 404 OE2 GLU 25 -0.908 -17.816 -22.624 1.00 43.03 ATOM 405 C GLU 25 0.239 -22.252 -26.267 1.00 62.45 ATOM 406 O GLU 25 -0.574 -22.284 -27.192 1.00 2.14 ATOM 407 N LYS 26 1.542 -22.441 -26.445 1.00 44.22 ATOM 408 HN LYS 26 2.153 -22.397 -25.674 1.00 38.66 ATOM 409 CA LYS 26 2.105 -22.702 -27.765 1.00 22.34 ATOM 410 HA LYS 26 1.672 -22.001 -28.466 1.00 4.02 ATOM 411 CB LYS 26 3.623 -22.506 -27.743 1.00 13.44 ATOM 412 HB1 LYS 26 4.026 -22.715 -28.727 1.00 38.66 ATOM 413 HB2 LYS 26 4.052 -23.204 -27.037 1.00 51.21 ATOM 414 CG LYS 26 4.049 -21.107 -27.332 1.00 12.31 ATOM 415 HG1 LYS 26 5.106 -21.118 -27.101 1.00 38.66 ATOM 416 HG2 LYS 26 3.501 -20.810 -26.454 1.00 2.03 ATOM 417 CD LYS 26 3.775 -20.095 -28.432 1.00 1.10 ATOM 418 HD1 LYS 26 3.576 -19.138 -27.973 1.00 38.66 ATOM 419 HD2 LYS 26 2.917 -20.392 -29.017 1.00 43.44 ATOM 420 CE LYS 26 4.971 -19.943 -29.360 1.00 10.15 ATOM 421 HE1 LYS 26 5.062 -20.837 -29.959 1.00 38.66 ATOM 422 HE2 LYS 26 5.868 -19.813 -28.769 1.00 63.43 ATOM 423 NZ LYS 26 4.826 -18.769 -30.264 1.00 55.02 ATOM 424 HZ1 LYS 26 4.744 -17.892 -29.708 1.00 65.14 ATOM 425 HZ2 LYS 26 3.977 -18.871 -30.858 1.00 72.11 ATOM 426 HZ3 LYS 26 5.658 -18.694 -30.884 1.00 25.54 ATOM 427 C LYS 26 1.772 -24.117 -28.228 1.00 21.05 ATOM 428 O LYS 26 1.396 -24.331 -29.380 1.00 52.51 ATOM 429 N ARG 27 1.912 -25.079 -27.322 1.00 33.43 ATOM 430 HN ARG 27 2.237 -24.859 -26.418 1.00 38.66 ATOM 431 CA ARG 27 1.625 -26.474 -27.638 1.00 1.52 ATOM 432 HA ARG 27 1.067 -26.514 -28.569 1.00 32.23 ATOM 433 CB ARG 27 2.927 -27.259 -27.805 1.00 43.20 ATOM 434 HB1 ARG 27 2.785 -28.285 -27.482 1.00 38.66 ATOM 435 HB2 ARG 27 3.688 -26.810 -27.181 1.00 74.45 ATOM 436 CG ARG 27 3.449 -27.277 -29.233 1.00 15.13 ATOM 437 HG1 ARG 27 4.494 -27.554 -29.213 1.00 38.66 ATOM 438 HG2 ARG 27 3.346 -26.292 -29.666 1.00 22.23 ATOM 439 CD ARG 27 2.686 -28.274 -30.091 1.00 43.24 ATOM 440 HD1 ARG 27 1.836 -27.757 -30.511 1.00 38.66 ATOM 441 HD2 ARG 27 2.341 -29.099 -29.479 1.00 53.42 ATOM 442 NE ARG 27 3.512 -28.811 -31.170 1.00 12.21 ATOM 443 HE ARG 27 4.491 -28.757 -31.072 1.00 23.43 ATOM 444 CZ ARG 27 3.014 -29.372 -32.266 1.00 64.41 ATOM 445 NH1 ARG 27 1.702 -29.470 -32.428 1.00 40.42 ATOM 446 HH11 ARG 27 1.062 -29.135 -31.742 1.00 51.12 ATOM 447 HH12 ARG 27 1.339 -29.892 -33.262 1.00 41.12 ATOM 448 NH2 ARG 27 3.830 -29.838 -33.203 1.00 43.23 ATOM 449 HH21 ARG 27 4.823 -29.768 -33.086 1.00 22.13 ATOM 450 HH22 ARG 27 3.457 -30.262 -34.031 1.00 21.43 ATOM 451 C ARG 27 0.769 -27.113 -26.548 1.00 62.14 ATOM 452 O ARG 27 1.053 -26.972 -25.359 1.00 3.31 ATOM 453 N ARG 28 -0.279 -27.816 -26.964 1.00 34.25 ATOM 454 HN ARG 28 -0.451 -27.912 -27.931 1.00 38.66 ATOM 455 CA ARG 28 -1.178 -28.476 -26.023 1.00 45.14 ATOM 456 HA ARG 28 -1.065 -28.022 -25.048 1.00 3.15 ATOM 457 CB ARG 28 -2.630 -28.317 -26.476 1.00 12.33 ATOM 458 HB1 ARG 28 -3.278 -28.859 -25.799 1.00 38.66 ATOM 459 HB2 ARG 28 -2.732 -28.737 -27.467 1.00 24.22 ATOM 460 CG ARG 28 -3.097 -26.871 -26.528 1.00 63.04 ATOM 461 HG1 ARG 28 -4.125 -26.850 -26.852 1.00 38.66 ATOM 462 HG2 ARG 28 -2.484 -26.332 -27.235 1.00 12.42 ATOM 463 CD ARG 28 -2.985 -26.200 -25.169 1.00 5.53 ATOM 464 HD1 ARG 28 -3.392 -25.201 -25.238 1.00 38.66 ATOM 465 HD2 ARG 28 -1.945 -26.132 -24.900 1.00 21.43 ATOM 466 NE ARG 28 -3.695 -26.942 -24.131 1.00 70.32 ATOM 467 HE ARG 28 -3.153 -27.461 -23.497 1.00 22.33 ATOM 468 CZ ARG 28 -5.018 -26.948 -24.007 1.00 25.24 ATOM 469 NH1 ARG 28 -5.769 -26.255 -24.851 1.00 33.23 ATOM 470 HH11 ARG 28 -5.374 -25.715 -25.586 1.00 73.23 ATOM 471 HH12 ARG 28 -6.766 -26.272 -24.749 1.00 71.44 ATOM 472 NH2 ARG 28 -5.591 -27.649 -23.036 1.00 44.05 ATOM 473 HH21 ARG 28 -5.028 -28.175 -22.395 1.00 51.24 ATOM 474 HH22 ARG 28 -6.589 -27.655 -22.940 1.00 43.25 ATOM 475 C ARG 28 -0.834 -29.957 -25.891 1.00 51.33 ATOM 476 O ARG 28 -0.312 -30.569 -26.822 1.00 2.21 ATOM 477 N GLY 29 -1.131 -30.526 -24.727 1.00 71.41 ATOM 478 HN GLY 29 -1.549 -29.996 -24.011 1.00 38.66 ATOM 479 CA GLY 29 -0.846 -31.930 -24.494 1.00 73.21 ATOM 480 HA1 GLY 29 -0.841 -32.475 -25.430 1.00 38.66 ATOM 481 HA2 GLY 29 -1.628 -32.335 -23.869 1.00 53.25 ATOM 482 C GLY 29 0.482 -32.144 -23.795 1.00 72.24 ATOM 483 O GLY 29 1.154 -33.152 -24.019 1.00 44.51 ATOM 484 N LEU 30 0.862 -31.195 -22.948 1.00 42.50 ATOM 485 HN LEU 30 0.273 -30.424 -22.777 1.00 38.66 ATOM 486 CA LEU 30 2.120 -31.283 -22.215 1.00 4.51 ATOM 487 HA LEU 30 2.813 -31.892 -22.778 1.00 21.12 ATOM 488 CB LEU 30 2.732 -29.891 -22.044 1.00 1.12 ATOM 489 HB1 LEU 30 3.782 -30.019 -21.817 1.00 38.66 ATOM 490 HB2 LEU 30 2.257 -29.405 -21.198 1.00 22.12 ATOM 491 CG LEU 30 2.612 -28.953 -23.245 1.00 43.33 ATOM 492 HG LEU 30 1.568 -28.737 -23.423 1.00 55.42 ATOM 493 CD1 LEU 30 3.321 -27.636 -22.967 1.00 71.22 ATOM 494 HD11 LEU 30 2.888 -27.167 -22.095 1.00 44.34 ATOM 495 HD12 LEU 30 3.206 -26.985 -23.815 1.00 15.11 ATOM 496 HD13 LEU 30 4.371 -27.817 -22.793 1.00 53.54 ATOM 497 CD2 LEU 30 3.178 -29.612 -24.495 1.00 10.51 ATOM 498 HD21 LEU 30 2.474 -30.348 -24.854 1.00 15.03 ATOM 499 HD22 LEU 30 4.103 -30.099 -24.264 1.00 51.30 ATOM 500 HD23 LEU 30 3.338 -28.871 -25.265 1.00 3.52 ATOM 501 C LEU 30 1.911 -31.930 -20.850 1.00 10.23 ATOM 502 O LEU 30 0.778 -32.118 -20.407 1.00 33.50 ATOM 503 N LYS 31 3.011 -32.266 -20.185 1.00 63.43 ATOM 504 HN LYS 31 3.894 -32.104 -20.597 1.00 38.66 ATOM 505 CA LYS 31 2.950 -32.889 -18.868 1.00 60.34 ATOM 506 HA LYS 31 2.084 -32.497 -18.344 1.00 32.32 ATOM 507 CB LYS 31 2.788 -34.405 -19.005 1.00 42.14 ATOM 508 HB1 LYS 31 3.534 -34.769 -19.697 1.00 38.66 ATOM 509 HB2 LYS 31 1.811 -34.607 -19.415 1.00 43.11 ATOM 510 CG LYS 31 2.954 -35.155 -17.695 1.00 71.23 ATOM 511 HG1 LYS 31 2.628 -34.531 -16.870 1.00 38.66 ATOM 512 HG2 LYS 31 4.002 -35.388 -17.569 1.00 42.01 ATOM 513 CD LYS 31 2.170 -36.457 -17.695 1.00 52.20 ATOM 514 HD1 LYS 31 2.678 -37.161 -17.052 1.00 38.66 ATOM 515 HD2 LYS 31 2.123 -36.865 -18.698 1.00 45.32 ATOM 516 CE LYS 31 0.757 -36.256 -17.169 1.00 73.14 ATOM 517 HE1 LYS 31 0.752 -35.500 -16.394 1.00 38.66 ATOM 518 HE2 LYS 31 0.416 -37.191 -16.750 1.00 12.02 ATOM 519 NZ LYS 31 -0.185 -35.851 -18.250 1.00 4.43 ATOM 520 HZ1 LYS 31 -0.040 -34.853 -18.496 1.00 51.44 ATOM 521 HZ2 LYS 31 -1.165 -35.971 -17.925 1.00 0.03 ATOM 522 HZ3 LYS 31 -0.046 -36.435 -19.103 1.00 3.23 ATOM 523 C LYS 31 4.203 -32.572 -18.058 1.00 33.42 ATOM 524 O LYS 31 5.318 -32.887 -18.473 1.00 44.41 ATOM 525 N TYR 32 4.011 -31.950 -16.900 1.00 71.30 ATOM 526 HN TYR 32 3.096 -31.732 -16.606 1.00 38.66 ATOM 527 CA TYR 32 5.126 -31.590 -16.032 1.00 34.42 ATOM 528 HA TYR 32 6.057 -31.713 -16.578 1.00 44.14 ATOM 529 CB TYR 32 5.017 -30.124 -15.609 1.00 65.31 ATOM 530 HB1 TYR 32 5.795 -29.909 -14.887 1.00 38.66 ATOM 531 HB2 TYR 32 4.054 -29.965 -15.141 1.00 51.40 ATOM 532 CG TYR 32 5.153 -29.151 -16.758 1.00 64.23 ATOM 533 CD1 TYR 32 6.379 -28.570 -17.061 1.00 12.35 ATOM 534 HD1 TYR 32 7.245 -28.821 -16.464 1.00 15.32 ATOM 535 CD2 TYR 32 4.057 -28.812 -17.541 1.00 72.32 ATOM 536 HD2 TYR 32 3.094 -29.253 -17.322 1.00 32.51 ATOM 537 CE1 TYR 32 6.508 -27.680 -18.109 1.00 52.51 ATOM 538 HE1 TYR 32 7.469 -27.241 -18.326 1.00 14.12 ATOM 539 CE2 TYR 32 4.177 -27.924 -18.592 1.00 72.35 ATOM 540 HE2 TYR 32 3.312 -27.674 -19.189 1.00 13.21 ATOM 541 CZ TYR 32 5.404 -27.360 -18.872 1.00 61.43 ATOM 542 OH TYR 32 5.527 -26.474 -19.918 1.00 25.32 ATOM 543 HH TYR 32 5.000 -25.686 -19.749 1.00 4.13 ATOM 544 C TYR 32 5.166 -32.486 -14.797 1.00 53.32 ATOM 545 O TYR 32 4.367 -32.325 -13.875 1.00 73.33 ATOM 546 N GLU 33 6.103 -33.428 -14.788 1.00 31.40 ATOM 547 HN GLU 33 6.716 -33.519 -15.554 1.00 38.66 ATOM 548 CA GLU 33 6.248 -34.350 -13.667 1.00 54.21 ATOM 549 HA GLU 33 5.555 -34.074 -12.882 1.00 31.04 ATOM 550 CB GLU 33 5.930 -35.780 -14.109 1.00 40.23 ATOM 551 HB1 GLU 33 5.004 -35.767 -14.669 1.00 38.66 ATOM 552 HB2 GLU 33 5.797 -36.391 -13.227 1.00 50.51 ATOM 553 CG GLU 33 7.019 -36.409 -14.962 1.00 31.32 ATOM 554 HG1 GLU 33 7.699 -36.944 -14.315 1.00 38.66 ATOM 555 HG2 GLU 33 7.561 -35.635 -15.490 1.00 44.52 ATOM 556 CD GLU 33 6.468 -37.378 -15.990 1.00 71.10 ATOM 557 OE1 GLU 33 6.553 -38.602 -15.758 1.00 70.04 ATOM 558 OE2 GLU 33 5.951 -36.911 -17.027 1.00 21.22 ATOM 559 C GLU 33 7.658 -34.286 -13.089 1.00 65.11 ATOM 560 O GLU 33 8.567 -33.723 -13.700 1.00 44.35 ATOM 561 N LEU 34 7.834 -34.867 -11.907 1.00 51.32 ATOM 562 HN LEU 34 7.072 -35.318 -11.470 1.00 38.66 ATOM 563 CA LEU 34 9.134 -34.876 -11.245 1.00 34.22 ATOM 564 HA LEU 34 9.679 -33.995 -11.544 1.00 33.15 ATOM 565 CB LEU 34 8.954 -34.837 -9.726 1.00 63.12 ATOM 566 HB1 LEU 34 8.363 -35.702 -9.447 1.00 38.66 ATOM 567 HB2 LEU 34 8.384 -33.950 -9.478 1.00 51.41 ATOM 568 CG LEU 34 10.240 -34.841 -8.898 1.00 51.52 ATOM 569 HG LEU 34 10.915 -35.595 -9.273 1.00 21.43 ATOM 570 CD1 LEU 34 10.944 -33.497 -9.001 1.00 4.33 ATOM 571 HD11 LEU 34 11.294 -33.356 -10.011 1.00 63.12 ATOM 572 HD12 LEU 34 11.787 -33.470 -8.326 1.00 40.40 ATOM 573 HD13 LEU 34 10.257 -32.702 -8.744 1.00 35.11 ATOM 574 CD2 LEU 34 9.938 -35.177 -7.445 1.00 54.13 ATOM 575 HD21 LEU 34 9.439 -36.136 -7.391 1.00 23.41 ATOM 576 HD22 LEU 34 9.298 -34.417 -7.019 1.00 74.15 ATOM 577 HD23 LEU 34 10.856 -35.225 -6.885 1.00 63.03 ATOM 578 C LEU 34 9.938 -36.110 -11.642 1.00 10.13 ATOM 579 O LEU 34 9.416 -37.225 -11.657 1.00 55.24 ATOM 580 N ILE 35 11.211 -35.902 -11.959 1.00 64.54 ATOM 581 HN ILE 35 11.583 -34.990 -11.920 1.00 38.66 ATOM 582 CA ILE 35 12.088 -36.998 -12.353 1.00 23.33 ATOM 583 HA ILE 35 11.488 -37.873 -12.576 1.00 73.23 ATOM 584 CB ILE 35 12.906 -36.642 -13.608 1.00 61.12 ATOM 585 HB ILE 35 13.664 -35.922 -13.342 1.00 15.41 ATOM 586 CG1 ILE 35 11.998 -36.035 -14.680 1.00 20.13 ATOM 587 HG11 ILE 35 12.584 -35.836 -15.564 1.00 38.66 ATOM 588 HG12 ILE 35 11.584 -35.106 -14.319 1.00 74.50 ATOM 589 CG2 ILE 35 13.617 -37.876 -14.145 1.00 54.41 ATOM 590 HG21 ILE 35 14.321 -38.242 -13.413 1.00 13.15 ATOM 591 HG22 ILE 35 14.152 -37.621 -15.050 1.00 72.31 ATOM 592 HG23 ILE 35 12.893 -38.649 -14.365 1.00 22.03 ATOM 593 CD1 ILE 35 10.848 -36.933 -15.077 1.00 34.54 ATOM 594 HD11 ILE 35 10.103 -36.353 -15.580 1.00 23.03 ATOM 595 HD12 ILE 35 10.394 -37.391 -14.215 1.00 32.03 ATOM 596 HD13 ILE 35 11.208 -37.702 -15.744 1.00 74.30 ATOM 597 C ILE 35 13.045 -37.369 -11.225 1.00 2.44 ATOM 598 O ILE 35 13.130 -38.530 -10.824 1.00 55.44 ATOM 599 N SER 36 13.764 -36.373 -10.715 1.00 34.33 ATOM 600 HN SER 36 13.663 -35.462 -11.078 1.00 38.66 ATOM 601 CA SER 36 14.717 -36.594 -9.633 1.00 75.43 ATOM 602 HA SER 36 14.567 -37.585 -9.221 1.00 4.21 ATOM 603 CB SER 36 16.150 -36.502 -10.161 1.00 75.00 ATOM 604 HB1 SER 36 16.285 -35.559 -10.667 1.00 38.66 ATOM 605 HB2 SER 36 16.328 -37.311 -10.854 1.00 74.20 ATOM 606 OG SER 36 17.089 -36.593 -9.104 1.00 41.21 ATOM 607 HG SER 36 17.264 -35.718 -8.748 1.00 2.51 ATOM 608 C SER 36 14.509 -35.582 -8.511 1.00 45.52 ATOM 609 O SER 36 13.914 -34.525 -8.717 1.00 52.25 ATOM 610 N GLU 37 15.006 -35.914 -7.324 1.00 2.53 ATOM 611 HN GLU 37 15.466 -36.781 -7.218 1.00 38.66 ATOM 612 CA GLU 37 14.875 -35.033 -6.168 1.00 71.54 ATOM 613 HA GLU 37 15.088 -34.019 -6.491 1.00 12.12 ATOM 614 CB GLU 37 13.446 -35.082 -5.622 1.00 44.33 ATOM 615 HB1 GLU 37 13.186 -36.108 -5.409 1.00 38.66 ATOM 616 HB2 GLU 37 12.785 -34.700 -6.383 1.00 20.50 ATOM 617 CG GLU 37 13.250 -34.263 -4.357 1.00 44.04 ATOM 618 HG1 GLU 37 13.635 -33.273 -4.517 1.00 38.66 ATOM 619 HG2 GLU 37 13.795 -34.731 -3.550 1.00 54.54 ATOM 620 CD GLU 37 11.794 -34.163 -3.947 1.00 20.21 ATOM 621 OE1 GLU 37 10.984 -33.655 -4.750 1.00 2.21 ATOM 622 OE2 GLU 37 11.465 -34.594 -2.822 1.00 34.11 ATOM 623 C GLU 37 15.863 -35.423 -5.073 1.00 3.21 ATOM 624 O GLU 37 15.962 -36.591 -4.696 1.00 3.14 ATOM 625 N THR 38 16.595 -34.435 -4.565 1.00 74.24 ATOM 626 HN THR 38 16.483 -33.518 -4.913 1.00 38.66 ATOM 627 CA THR 38 17.577 -34.673 -3.515 1.00 75.11 ATOM 628 HA THR 38 17.207 -35.458 -2.862 1.00 11.43 ATOM 629 CB THR 38 18.930 -35.117 -4.101 1.00 41.34 ATOM 630 HB THR 38 19.702 -35.046 -3.347 1.00 61.01 ATOM 631 OG1 THR 38 19.287 -34.274 -5.202 1.00 50.54 ATOM 632 HG1 THR 38 20.241 -34.282 -5.321 1.00 35.23 ATOM 633 CG2 THR 38 18.871 -36.565 -4.563 1.00 41.14 ATOM 634 HG21 THR 38 18.419 -37.182 -3.798 1.00 64.20 ATOM 635 HG22 THR 38 19.874 -36.917 -4.754 1.00 11.24 ATOM 636 HG23 THR 38 18.293 -36.632 -5.471 1.00 25.02 ATOM 637 C THR 38 17.788 -33.424 -2.667 1.00 32.21 ATOM 638 O THR 38 17.186 -32.381 -2.919 1.00 73.41 ATOM 639 N GLY 39 18.648 -33.537 -1.660 1.00 4.15 ATOM 640 HN GLY 39 19.093 -34.398 -1.485 1.00 38.66 ATOM 641 CA GLY 39 18.924 -32.409 -0.790 1.00 2.53 ATOM 642 HA1 GLY 39 18.088 -31.728 -0.796 1.00 38.66 ATOM 643 HA2 GLY 39 19.793 -31.890 -1.166 1.00 73.42 ATOM 644 C GLY 39 19.176 -32.830 0.644 1.00 1.04 ATOM 645 O GLY 39 18.487 -33.702 1.173 1.00 43.41 ATOM 646 N GLY 40 20.169 -32.210 1.276 1.00 34.42 ATOM 647 HN GLY 40 20.687 -31.511 0.812 1.00 38.66 ATOM 648 CA GLY 40 20.494 -32.541 2.651 1.00 35.24 ATOM 649 HA1 GLY 40 20.000 -33.458 2.950 1.00 38.66 ATOM 650 HA2 GLY 40 20.146 -31.742 3.287 1.00 43.24 ATOM 651 C GLY 40 21.984 -32.713 2.870 1.00 53.31 ATOM 652 O GLY 40 22.509 -32.352 3.923 1.00 20.31 ATOM 653 N SER 41 22.667 -33.266 1.873 1.00 74.21 ATOM 654 HN SER 41 22.202 -33.537 1.048 1.00 38.66 ATOM 655 CA SER 41 24.105 -33.490 1.963 1.00 33.11 ATOM 656 HA SER 41 24.417 -33.403 2.997 1.00 23.12 ATOM 657 CB SER 41 24.455 -34.898 1.476 1.00 54.51 ATOM 658 HB1 SER 41 25.518 -34.968 1.277 1.00 38.66 ATOM 659 HB2 SER 41 23.908 -35.114 0.570 1.00 63.04 ATOM 660 OG SER 41 24.122 -35.872 2.450 1.00 53.23 ATOM 661 HG SER 41 23.181 -36.062 2.409 1.00 10.11 ATOM 662 C SER 41 24.868 -32.452 1.146 1.00 24.32 ATOM 663 O SER 41 25.521 -31.567 1.700 1.00 22.10 ATOM 664 N HIS 42 24.782 -32.568 -0.175 1.00 72.12 ATOM 665 HN HIS 42 24.215 -33.272 -0.569 1.00 38.66 ATOM 666 CA HIS 42 25.464 -31.640 -1.070 1.00 71.02 ATOM 667 HA HIS 42 26.410 -31.359 -0.622 1.00 12.14 ATOM 668 CB HIS 42 25.745 -32.310 -2.416 1.00 10.43 ATOM 669 HB1 HIS 42 24.824 -32.685 -2.833 1.00 38.66 ATOM 670 HB2 HIS 42 26.419 -33.139 -2.256 1.00 25.03 ATOM 671 CG HIS 42 26.382 -31.396 -3.418 1.00 34.52 ATOM 672 ND1 HIS 42 27.537 -30.689 -3.163 1.00 43.44 ATOM 673 HD1 HIS 42 28.047 -30.707 -2.326 1.00 33.31 ATOM 674 CD2 HIS 42 26.018 -31.079 -4.682 1.00 42.33 ATOM 675 HD2 HIS 42 25.154 -31.453 -5.213 1.00 14.00 ATOM 676 CE1 HIS 42 27.856 -29.974 -4.227 1.00 42.45 ATOM 677 HE1 HIS 42 28.712 -29.322 -4.316 1.00 32.23 ATOM 678 NE2 HIS 42 26.951 -30.193 -5.164 1.00 14.14 ATOM 679 HE2 HIS 42 26.893 -29.713 -6.016 1.00 38.66 ATOM 680 C HIS 42 24.633 -30.378 -1.280 1.00 53.04 ATOM 681 O HIS 42 24.955 -29.315 -0.749 1.00 32.20 ATOM 682 N ASP 43 23.563 -30.503 -2.059 1.00 5.42 ATOM 683 HN ASP 43 23.326 -31.382 -2.431 1.00 38.66 ATOM 684 CA ASP 43 22.686 -29.372 -2.339 1.00 72.21 ATOM 685 HA ASP 43 22.354 -28.962 -1.393 1.00 14.22 ATOM 686 CB ASP 43 23.444 -28.289 -3.109 1.00 33.41 ATOM 687 HB1 ASP 43 23.884 -28.727 -3.993 1.00 38.66 ATOM 688 HB2 ASP 43 24.226 -27.886 -2.487 1.00 14.13 ATOM 689 CG ASP 43 22.545 -27.145 -3.535 1.00 32.24 ATOM 690 OD1 ASP 43 22.624 -26.736 -4.711 1.00 53.54 ATOM 691 OD2 ASP 43 21.763 -26.659 -2.691 1.00 1.44 ATOM 692 C ASP 43 21.463 -29.818 -3.135 1.00 11.13 ATOM 693 O ASP 43 21.506 -30.816 -3.854 1.00 25.32 ATOM 694 N LYS 44 20.372 -29.072 -3.000 1.00 52.32 ATOM 695 HN LYS 44 20.390 -28.301 -2.384 1.00 38.66 ATOM 696 CA LYS 44 19.136 -29.388 -3.706 1.00 32.52 ATOM 697 HA LYS 44 18.765 -30.324 -3.305 1.00 23.03 ATOM 698 CB LYS 44 18.099 -28.285 -3.481 1.00 61.43 ATOM 699 HB1 LYS 44 17.647 -28.008 -4.426 1.00 38.66 ATOM 700 HB2 LYS 44 18.581 -27.408 -3.069 1.00 13.11 ATOM 701 CG LYS 44 16.974 -28.690 -2.545 1.00 54.10 ATOM 702 HG1 LYS 44 16.487 -29.566 -2.952 1.00 38.66 ATOM 703 HG2 LYS 44 16.258 -27.881 -2.493 1.00 21.24 ATOM 704 CD LYS 44 17.495 -29.021 -1.157 1.00 10.34 ATOM 705 HD1 LYS 44 18.574 -29.083 -1.146 1.00 38.66 ATOM 706 HD2 LYS 44 17.082 -29.969 -0.861 1.00 51.33 ATOM 707 CE LYS 44 17.058 -27.982 -0.135 1.00 35.30 ATOM 708 HE1 LYS 44 16.000 -27.785 -0.255 1.00 38.66 ATOM 709 HE2 LYS 44 17.613 -27.072 -0.306 1.00 1.45 ATOM 710 NZ LYS 44 17.301 -28.440 1.261 1.00 65.42 ATOM 711 HZ1 LYS 44 16.993 -27.708 1.933 1.00 72.15 ATOM 712 HZ2 LYS 44 18.315 -28.623 1.411 1.00 2.13 ATOM 713 HZ3 LYS 44 16.769 -29.315 1.453 1.00 73.13 ATOM 714 C LYS 44 19.392 -29.564 -5.199 1.00 54.03 ATOM 715 O LYS 44 20.225 -28.870 -5.781 1.00 65.14 ATOM 716 N ARG 45 18.668 -30.494 -5.814 1.00 23.34 ATOM 717 HN ARG 45 18.022 -31.027 -5.292 1.00 38.66 ATOM 718 CA ARG 45 18.817 -30.760 -7.239 1.00 63.14 ATOM 719 HA ARG 45 18.953 -29.808 -7.746 1.00 3.14 ATOM 720 CB ARG 45 20.043 -31.641 -7.490 1.00 53.24 ATOM 721 HB1 ARG 45 19.783 -32.683 -7.343 1.00 38.66 ATOM 722 HB2 ARG 45 20.807 -31.376 -6.770 1.00 74.24 ATOM 723 CG ARG 45 20.645 -31.466 -8.875 1.00 1.01 ATOM 724 HG1 ARG 45 21.371 -30.666 -8.838 1.00 38.66 ATOM 725 HG2 ARG 45 19.865 -31.214 -9.583 1.00 21.12 ATOM 726 CD ARG 45 21.332 -32.737 -9.348 1.00 61.41 ATOM 727 HD1 ARG 45 20.574 -33.396 -9.748 1.00 38.66 ATOM 728 HD2 ARG 45 21.824 -33.218 -8.511 1.00 51.21 ATOM 729 NE ARG 45 22.330 -32.469 -10.380 1.00 50.30 ATOM 730 HE ARG 45 22.610 -31.534 -10.520 1.00 44.44 ATOM 731 CZ ARG 45 22.882 -33.414 -11.133 1.00 32.14 ATOM 732 NH1 ARG 45 22.534 -34.683 -10.969 1.00 61.14 ATOM 733 HH11 ARG 45 21.861 -34.956 -10.285 1.00 15.53 ATOM 734 HH12 ARG 45 22.954 -35.389 -11.544 1.00 42.13 ATOM 735 NH2 ARG 45 23.783 -33.091 -12.051 1.00 50.43 ATOM 736 HH21 ARG 45 24.050 -32.134 -12.180 1.00 64.03 ATOM 737 HH22 ARG 45 24.201 -33.803 -12.620 1.00 13.40 ATOM 738 C ARG 45 17.569 -31.435 -7.800 1.00 31.11 ATOM 739 O ARG 45 17.438 -32.659 -7.754 1.00 43.50 ATOM 740 N PHE 46 16.654 -30.630 -8.328 1.00 54.53 ATOM 741 HN PHE 46 16.818 -29.657 -8.352 1.00 38.66 ATOM 742 CA PHE 46 15.415 -31.148 -8.896 1.00 71.54 ATOM 743 HA PHE 46 15.226 -32.135 -8.486 1.00 3.51 ATOM 744 CB PHE 46 14.239 -30.245 -8.521 1.00 12.41 ATOM 745 HB1 PHE 46 13.329 -30.655 -8.945 1.00 38.66 ATOM 746 HB2 PHE 46 14.404 -29.259 -8.940 1.00 34.55 ATOM 747 CG PHE 46 14.045 -30.098 -7.039 1.00 1.53 ATOM 748 CD1 PHE 46 13.145 -30.904 -6.361 1.00 25.12 ATOM 749 HD1 PHE 46 12.578 -31.647 -6.905 1.00 24.11 ATOM 750 CD2 PHE 46 14.763 -29.152 -6.324 1.00 35.15 ATOM 751 HD2 PHE 46 15.470 -28.515 -6.839 1.00 64.34 ATOM 752 CE1 PHE 46 12.965 -30.772 -4.997 1.00 2.42 ATOM 753 HE1 PHE 46 12.260 -31.406 -4.481 1.00 41.50 ATOM 754 CE2 PHE 46 14.587 -29.015 -4.960 1.00 32.45 ATOM 755 HE2 PHE 46 15.144 -28.270 -4.420 1.00 35.45 ATOM 756 CZ PHE 46 13.686 -29.825 -4.296 1.00 21.25 ATOM 757 HZ PHE 46 13.547 -29.720 -3.230 1.00 24.41 ATOM 758 C PHE 46 15.519 -31.263 -10.414 1.00 53.35 ATOM 759 O PHE 46 16.178 -30.452 -11.066 1.00 21.43 ATOM 760 N VAL 47 14.863 -32.276 -10.972 1.00 13.40 ATOM 761 HN VAL 47 14.360 -32.904 -10.402 1.00 38.66 ATOM 762 CA VAL 47 14.880 -32.497 -12.413 1.00 11.10 ATOM 763 HA VAL 47 15.247 -31.598 -12.902 1.00 1.40 ATOM 764 CB VAL 47 15.823 -33.655 -12.792 1.00 14.42 ATOM 765 HB VAL 47 15.421 -34.575 -12.390 1.00 74.23 ATOM 766 CG1 VAL 47 15.911 -33.799 -14.303 1.00 52.24 ATOM 767 HG11 VAL 47 16.222 -32.861 -14.742 1.00 61.42 ATOM 768 HG12 VAL 47 14.950 -34.083 -14.704 1.00 22.20 ATOM 769 HG13 VAL 47 16.634 -34.564 -14.553 1.00 43.21 ATOM 770 CG2 VAL 47 17.202 -33.438 -12.187 1.00 54.23 ATOM 771 HG21 VAL 47 17.611 -32.501 -12.539 1.00 30.01 ATOM 772 HG22 VAL 47 17.858 -34.247 -12.479 1.00 13.41 ATOM 773 HG23 VAL 47 17.129 -33.416 -11.110 1.00 73.23 ATOM 774 C VAL 47 13.482 -32.802 -12.939 1.00 12.31 ATOM 775 O VAL 47 12.912 -33.852 -12.645 1.00 24.24 ATOM 776 N MET 48 12.934 -31.876 -13.719 1.00 42.42 ATOM 777 HN MET 48 13.438 -31.056 -13.933 1.00 38.66 ATOM 778 CA MET 48 11.602 -32.046 -14.288 1.00 64.41 ATOM 779 HA MET 48 11.083 -32.832 -13.751 1.00 43.42 ATOM 780 CB MET 48 10.793 -30.756 -14.143 1.00 21.23 ATOM 781 HB1 MET 48 9.759 -30.960 -14.381 1.00 38.66 ATOM 782 HB2 MET 48 11.173 -30.019 -14.841 1.00 25.13 ATOM 783 CG MET 48 10.862 -30.149 -12.751 1.00 34.53 ATOM 784 HG1 MET 48 10.411 -29.178 -12.773 1.00 38.66 ATOM 785 HG2 MET 48 11.889 -30.051 -12.464 1.00 14.14 ATOM 786 SD MET 48 10.027 -31.159 -11.511 1.00 41.23 ATOM 787 CE MET 48 8.319 -30.701 -11.796 1.00 40.00 ATOM 788 HE1 MET 48 8.087 -29.808 -11.238 1.00 61.33 ATOM 789 HE2 MET 48 7.676 -31.504 -11.467 1.00 52.53 ATOM 790 HE3 MET 48 8.159 -30.525 -12.849 1.00 20.55 ATOM 791 C MET 48 11.686 -32.445 -15.758 1.00 41.11 ATOM 792 O MET 48 12.722 -32.270 -16.399 1.00 72.22 ATOM 793 N GLU 49 10.590 -32.981 -16.285 1.00 14.01 ATOM 794 HN GLU 49 9.791 -33.110 -15.720 1.00 38.66 ATOM 795 CA GLU 49 10.541 -33.405 -17.679 1.00 44.13 ATOM 796 HA GLU 49 11.335 -32.909 -18.218 1.00 44.03 ATOM 797 CB GLU 49 10.759 -34.916 -17.784 1.00 10.21 ATOM 798 HB1 GLU 49 9.968 -35.416 -17.252 1.00 38.66 ATOM 799 HB2 GLU 49 11.703 -35.157 -17.324 1.00 34.24 ATOM 800 CG GLU 49 10.763 -35.433 -19.213 1.00 14.33 ATOM 801 HG1 GLU 49 11.301 -34.735 -19.844 1.00 38.66 ATOM 802 HG2 GLU 49 9.742 -35.510 -19.556 1.00 2.40 ATOM 803 CD GLU 49 11.416 -36.795 -19.338 1.00 74.55 ATOM 804 OE1 GLU 49 12.342 -36.935 -20.165 1.00 11.24 ATOM 805 OE2 GLU 49 11.001 -37.722 -18.612 1.00 32.23 ATOM 806 C GLU 49 9.208 -33.027 -18.317 1.00 53.41 ATOM 807 O GLU 49 8.145 -33.233 -17.730 1.00 63.13 ATOM 808 N VAL 50 9.272 -32.471 -19.523 1.00 14.21 ATOM 809 HN VAL 50 10.148 -32.335 -19.951 1.00 38.66 ATOM 810 CA VAL 50 8.070 -32.064 -20.242 1.00 2.32 ATOM 811 HA VAL 50 7.206 -32.406 -19.696 1.00 21.43 ATOM 812 CB VAL 50 7.978 -30.531 -20.358 1.00 43.42 ATOM 813 HB VAL 50 8.006 -30.112 -19.363 1.00 4.20 ATOM 814 CG1 VAL 50 9.163 -29.982 -21.139 1.00 21.23 ATOM 815 HG11 VAL 50 9.169 -28.912 -21.041 1.00 42.40 ATOM 816 HG12 VAL 50 9.079 -30.235 -22.185 1.00 30.53 ATOM 817 HG13 VAL 50 10.088 -30.373 -20.746 1.00 1.15 ATOM 818 CG2 VAL 50 6.665 -30.124 -21.010 1.00 65.04 ATOM 819 HG21 VAL 50 6.575 -29.047 -20.987 1.00 44.33 ATOM 820 HG22 VAL 50 5.837 -30.560 -20.467 1.00 32.02 ATOM 821 HG23 VAL 50 6.637 -30.460 -22.033 1.00 4.24 ATOM 822 C VAL 50 8.033 -32.672 -21.639 1.00 45.33 ATOM 823 O VAL 50 9.008 -32.593 -22.386 1.00 60.13 ATOM 824 N GLU 51 6.902 -33.277 -21.986 1.00 31.43 ATOM 825 HN GLU 51 6.145 -33.297 -21.354 1.00 38.66 ATOM 826 CA GLU 51 6.739 -33.899 -23.294 1.00 72.35 ATOM 827 HA GLU 51 7.713 -34.058 -23.732 1.00 71.43 ATOM 828 CB GLU 51 6.060 -35.263 -23.155 1.00 21.55 ATOM 829 HB1 GLU 51 5.158 -35.135 -22.573 1.00 38.66 ATOM 830 HB2 GLU 51 6.718 -35.933 -22.629 1.00 12.34 ATOM 831 CG GLU 51 5.682 -35.894 -24.484 1.00 74.30 ATOM 832 HG1 GLU 51 6.582 -36.077 -25.051 1.00 38.66 ATOM 833 HG2 GLU 51 5.040 -35.225 -25.034 1.00 64.22 ATOM 834 CD GLU 51 4.941 -37.207 -24.317 1.00 62.01 ATOM 835 OE1 GLU 51 4.853 -37.969 -25.303 1.00 2.34 ATOM 836 OE2 GLU 51 4.450 -37.472 -23.200 1.00 31.40 ATOM 837 C GLU 51 5.922 -33.006 -24.224 1.00 1.45 ATOM 838 O GLU 51 4.739 -32.760 -23.986 1.00 63.30 ATOM 839 N VAL 52 6.563 -32.521 -25.283 1.00 14.02 ATOM 840 HN VAL 52 7.511 -32.740 -25.426 1.00 38.66 ATOM 841 CA VAL 52 5.897 -31.655 -26.248 1.00 51.05 ATOM 842 HA VAL 52 4.847 -31.569 -25.978 1.00 2.11 ATOM 843 CB VAL 52 6.498 -30.237 -26.238 1.00 53.23 ATOM 844 HB VAL 52 7.508 -30.284 -26.627 1.00 10.23 ATOM 845 CG1 VAL 52 5.689 -29.308 -27.131 1.00 10.44 ATOM 846 HG11 VAL 52 5.803 -29.605 -28.163 1.00 45.22 ATOM 847 HG12 VAL 52 6.043 -28.292 -27.018 1.00 64.52 ATOM 848 HG13 VAL 52 4.646 -29.354 -26.860 1.00 4.34 ATOM 849 CG2 VAL 52 6.567 -29.698 -24.817 1.00 71.23 ATOM 850 HG21 VAL 52 6.206 -30.413 -24.104 1.00 22.15 ATOM 851 HG22 VAL 52 5.970 -28.802 -24.729 1.00 24.32 ATOM 852 HG23 VAL 52 7.595 -29.461 -24.584 1.00 64.21 ATOM 853 C VAL 52 5.995 -32.227 -27.658 1.00 40.44 ATOM 854 O VAL 52 7.087 -32.359 -28.211 1.00 41.42 ATOM 855 N ASP 53 4.847 -32.564 -28.235 1.00 51.32 ATOM 856 HN ASP 53 3.999 -32.441 -27.752 1.00 38.66 ATOM 857 CA ASP 53 4.802 -33.120 -29.583 1.00 25.15 ATOM 858 HA ASP 53 3.763 -33.293 -29.823 1.00 64.31 ATOM 859 CB ASP 53 5.405 -32.134 -30.585 1.00 20.14 ATOM 860 HB1 ASP 53 6.483 -32.177 -30.546 1.00 38.66 ATOM 861 HB2 ASP 53 5.086 -31.133 -30.330 1.00 41.04 ATOM 862 CG ASP 53 4.966 -32.414 -32.008 1.00 75.32 ATOM 863 OD1 ASP 53 5.784 -32.218 -32.931 1.00 33.13 ATOM 864 OD2 ASP 53 3.803 -32.829 -32.200 1.00 21.11 ATOM 865 C ASP 53 5.549 -34.449 -29.646 1.00 74.24 ATOM 866 O ASP 53 6.053 -34.840 -30.698 1.00 51.44 ATOM 867 N GLY 54 5.615 -35.140 -28.512 1.00 43.12 ATOM 868 HN GLY 54 5.170 -34.817 -27.700 1.00 38.66 ATOM 869 CA GLY 54 6.303 -36.417 -28.461 1.00 33.03 ATOM 870 HA1 GLY 54 6.268 -36.903 -29.429 1.00 38.66 ATOM 871 HA2 GLY 54 5.796 -37.047 -27.745 1.00 4.34 ATOM 872 C GLY 54 7.751 -36.279 -28.034 1.00 34.31 ATOM 873 O GLY 54 8.397 -37.266 -27.682 1.00 75.14 ATOM 874 N GLN 55 8.261 -35.053 -28.066 1.00 43.31 ATOM 875 HN GLN 55 7.711 -34.291 -28.327 1.00 38.66 ATOM 876 CA GLN 55 9.643 -34.791 -27.682 1.00 2.24 ATOM 877 HA GLN 55 10.228 -35.688 -27.862 1.00 73.40 ATOM 878 CB GLN 55 10.229 -33.668 -28.539 1.00 44.12 ATOM 879 HB1 GLN 55 11.269 -33.526 -28.279 1.00 38.66 ATOM 880 HB2 GLN 55 9.683 -32.760 -28.332 1.00 61.32 ATOM 881 CG GLN 55 10.143 -33.935 -30.033 1.00 70.12 ATOM 882 HG1 GLN 55 9.141 -34.257 -30.284 1.00 38.66 ATOM 883 HG2 GLN 55 10.841 -34.721 -30.281 1.00 2.41 ATOM 884 CD GLN 55 10.485 -32.715 -30.865 1.00 43.21 ATOM 885 OE1 GLN 55 11.657 -32.392 -31.062 1.00 62.31 ATOM 886 NE2 GLN 55 9.461 -32.028 -31.359 1.00 24.51 ATOM 887 HE21 GLN 55 8.546 -32.329 -31.167 1.00 4.32 ATOM 888 HE22 GLN 55 9.661 -31.247 -31.913 1.00 74.14 ATOM 889 C GLN 55 9.737 -34.421 -26.205 1.00 53.41 ATOM 890 O GLN 55 9.192 -33.405 -25.773 1.00 14.31 ATOM 891 N LYS 56 10.431 -35.251 -25.435 1.00 33.43 ATOM 892 HN LYS 56 10.864 -36.041 -25.839 1.00 38.66 ATOM 893 CA LYS 56 10.597 -35.012 -24.006 1.00 61.11 ATOM 894 HA LYS 56 9.717 -34.507 -23.639 1.00 71.01 ATOM 895 CB LYS 56 10.741 -36.340 -23.259 1.00 14.11 ATOM 896 HB1 LYS 56 11.063 -36.140 -22.243 1.00 38.66 ATOM 897 HB2 LYS 56 11.499 -36.937 -23.747 1.00 52.35 ATOM 898 CG LYS 56 9.450 -37.136 -23.180 1.00 73.35 ATOM 899 HG1 LYS 56 8.616 -36.458 -23.103 1.00 38.66 ATOM 900 HG2 LYS 56 9.486 -37.762 -22.300 1.00 2.43 ATOM 901 CD LYS 56 9.264 -38.019 -24.403 1.00 71.22 ATOM 902 HD1 LYS 56 10.098 -38.705 -24.471 1.00 38.66 ATOM 903 HD2 LYS 56 9.228 -37.404 -25.287 1.00 55.13 ATOM 904 CE LYS 56 7.971 -38.816 -24.324 1.00 53.11 ATOM 905 HE1 LYS 56 7.209 -38.249 -24.813 1.00 38.66 ATOM 906 HE2 LYS 56 7.695 -38.984 -23.291 1.00 10.33 ATOM 907 NZ LYS 56 8.088 -40.133 -25.008 1.00 62.41 ATOM 908 HZ1 LYS 56 8.839 -40.705 -24.567 1.00 65.34 ATOM 909 HZ2 LYS 56 8.315 -40.000 -26.015 1.00 44.34 ATOM 910 HZ3 LYS 56 7.189 -40.651 -24.936 1.00 2.14 ATOM 911 C LYS 56 11.815 -34.133 -23.740 1.00 13.31 ATOM 912 O LYS 56 12.873 -34.323 -24.339 1.00 41.24 ATOM 913 N PHE 57 11.658 -33.171 -22.836 1.00 41.14 ATOM 914 HN PHE 57 10.788 -33.058 -22.388 1.00 38.66 ATOM 915 CA PHE 57 12.745 -32.263 -22.491 1.00 2.45 ATOM 916 HA PHE 57 13.668 -32.635 -22.925 1.00 62.02 ATOM 917 CB PHE 57 12.475 -30.869 -23.061 1.00 14.21 ATOM 918 HB1 PHE 57 13.264 -30.201 -22.744 1.00 38.66 ATOM 919 HB2 PHE 57 11.533 -30.505 -22.668 1.00 25.11 ATOM 920 CG PHE 57 12.406 -30.838 -24.561 1.00 42.10 ATOM 921 CD1 PHE 57 11.213 -31.089 -25.219 1.00 34.25 ATOM 922 HD1 PHE 57 10.323 -31.309 -24.646 1.00 51.23 ATOM 923 CD2 PHE 57 13.535 -30.557 -25.314 1.00 20.14 ATOM 924 HD2 PHE 57 14.474 -30.359 -24.815 1.00 34.50 ATOM 925 CE1 PHE 57 11.147 -31.062 -26.599 1.00 23.22 ATOM 926 HE1 PHE 57 10.211 -31.251 -27.095 1.00 70.23 ATOM 927 CE2 PHE 57 13.476 -30.528 -26.694 1.00 74.33 ATOM 928 HE2 PHE 57 14.361 -30.303 -27.261 1.00 21.44 ATOM 929 CZ PHE 57 12.280 -30.780 -27.338 1.00 33.25 ATOM 930 HZ PHE 57 12.224 -30.752 -28.412 1.00 2.20 ATOM 931 C PHE 57 12.924 -32.179 -20.977 1.00 72.34 ATOM 932 O PHE 57 11.978 -31.888 -20.246 1.00 73.41 ATOM 933 N GLN 58 14.143 -32.437 -20.516 1.00 64.44 ATOM 934 HN GLN 58 14.870 -32.652 -21.147 1.00 38.66 ATOM 935 CA GLN 58 14.446 -32.393 -19.091 1.00 12.03 ATOM 936 HA GLN 58 13.515 -32.367 -18.545 1.00 14.41 ATOM 937 CB GLN 58 15.231 -33.638 -18.675 1.00 62.25 ATOM 938 HB1 GLN 58 15.969 -33.374 -17.926 1.00 38.66 ATOM 939 HB2 GLN 58 15.748 -34.033 -19.541 1.00 44.13 ATOM 940 CG GLN 58 14.361 -34.739 -18.091 1.00 63.42 ATOM 941 HG1 GLN 58 13.517 -34.906 -18.748 1.00 38.66 ATOM 942 HG2 GLN 58 14.004 -34.422 -17.122 1.00 23.41 ATOM 943 CD GLN 58 15.109 -36.048 -17.925 1.00 50.33 ATOM 944 OE1 GLN 58 16.340 -36.077 -17.929 1.00 30.33 ATOM 945 NE2 GLN 58 14.367 -37.139 -17.779 1.00 22.34 ATOM 946 HE21 GLN 58 13.397 -37.057 -17.772 1.00 73.00 ATOM 947 HE22 GLN 58 14.832 -37.996 -17.682 1.00 62.43 ATOM 948 C GLN 58 15.238 -31.138 -18.741 1.00 42.42 ATOM 949 O GLN 58 16.055 -30.667 -19.532 1.00 13.53 ATOM 950 N GLY 59 14.991 -30.600 -17.551 1.00 13.34 ATOM 951 HN GLY 59 14.317 -31.011 -16.959 1.00 38.66 ATOM 952 CA GLY 59 15.689 -29.403 -17.118 1.00 33.35 ATOM 953 HA1 GLY 59 15.085 -28.544 -17.368 1.00 38.66 ATOM 954 HA2 GLY 59 16.639 -29.320 -17.636 1.00 42.33 ATOM 955 C GLY 59 15.948 -29.392 -15.624 1.00 64.02 ATOM 956 O GLY 59 15.109 -29.830 -14.838 1.00 70.02 ATOM 957 N ALA 60 17.115 -28.891 -15.232 1.00 23.31 ATOM 958 HN ALA 60 17.752 -28.549 -15.901 1.00 38.66 ATOM 959 CA ALA 60 17.483 -28.825 -13.823 1.00 0.30 ATOM 960 HA ALA 60 16.694 -29.270 -13.225 1.00 14.41 ATOM 961 CB ALA 60 18.750 -29.627 -13.570 1.00 25.51 ATOM 962 HB1 ALA 60 19.572 -29.194 -14.122 1.00 14.14 ATOM 963 HB2 ALA 60 18.599 -30.646 -13.895 1.00 44.24 ATOM 964 HB3 ALA 60 18.981 -29.619 -12.514 1.00 1.20 ATOM 965 C ALA 60 17.671 -27.380 -13.372 1.00 73.03 ATOM 966 O ALA 60 18.089 -26.526 -14.152 1.00 44.42 ATOM 967 N GLY 61 17.357 -27.114 -12.108 1.00 2.31 ATOM 968 HN GLY 61 17.014 -27.835 -11.528 1.00 38.66 ATOM 969 CA GLY 61 17.497 -25.771 -11.576 1.00 4.21 ATOM 970 HA1 GLY 61 16.578 -25.254 -11.752 1.00 38.66 ATOM 971 HA2 GLY 61 18.300 -25.248 -12.082 1.00 44.34 ATOM 972 C GLY 61 17.782 -25.764 -10.087 1.00 45.21 ATOM 973 O GLY 61 18.496 -26.630 -9.581 1.00 11.33 ATOM 974 N SER 62 17.225 -24.783 -9.384 1.00 61.10 ATOM 975 HN SER 62 16.665 -24.114 -9.844 1.00 38.66 ATOM 976 CA SER 62 17.428 -24.664 -7.945 1.00 12.51 ATOM 977 HA SER 62 18.296 -25.246 -7.657 1.00 54.31 ATOM 978 CB SER 62 17.684 -23.204 -7.564 1.00 61.11 ATOM 979 HB1 SER 62 16.975 -22.569 -8.076 1.00 38.66 ATOM 980 HB2 SER 62 18.687 -22.929 -7.854 1.00 63.22 ATOM 981 OG SER 62 17.542 -23.009 -6.168 1.00 11.12 ATOM 982 HG SER 62 18.342 -23.293 -5.719 1.00 0.34 ATOM 983 C SER 62 16.220 -25.196 -7.180 1.00 53.22 ATOM 984 O SER 62 16.352 -25.718 -6.074 1.00 44.12 ATOM 985 N ASN 63 15.041 -25.059 -7.779 1.00 10.11 ATOM 986 HN ASN 63 14.979 -24.606 -8.642 1.00 38.66 ATOM 987 CA ASN 63 13.808 -25.525 -7.155 1.00 20.12 ATOM 988 HA ASN 63 14.043 -26.317 -6.454 1.00 42.13 ATOM 989 CB ASN 63 13.133 -24.382 -6.394 1.00 24.25 ATOM 990 HB1 ASN 63 13.587 -24.315 -5.416 1.00 38.66 ATOM 991 HB2 ASN 63 12.076 -24.570 -6.266 1.00 4.24 ATOM 992 CG ASN 63 13.319 -23.042 -7.079 1.00 23.13 ATOM 993 OD1 ASN 63 14.413 -22.477 -7.074 1.00 51.44 ATOM 994 ND2 ASN 63 12.248 -22.527 -7.672 1.00 24.43 ATOM 995 HD21 ASN 63 11.405 -23.033 -7.650 1.00 0.24 ATOM 996 HD22 ASN 63 12.328 -21.641 -8.075 1.00 34.32 ATOM 997 C ASN 63 12.850 -26.091 -8.199 1.00 1.22 ATOM 998 O ASN 63 13.155 -26.111 -9.391 1.00 61.35 ATOM 999 N LYS 64 11.689 -26.549 -7.742 1.00 65.01 ATOM 1000 HN LYS 64 11.509 -26.534 -6.772 1.00 38.66 ATOM 1001 CA LYS 64 10.685 -27.114 -8.635 1.00 55.40 ATOM 1002 HA LYS 64 11.104 -28.003 -9.089 1.00 54.04 ATOM 1003 CB LYS 64 9.427 -27.489 -7.848 1.00 54.23 ATOM 1004 HB1 LYS 64 8.568 -27.450 -8.512 1.00 38.66 ATOM 1005 HB2 LYS 64 9.281 -26.772 -7.052 1.00 51.20 ATOM 1006 CG LYS 64 9.486 -28.875 -7.231 1.00 25.23 ATOM 1007 HG1 LYS 64 10.099 -28.823 -6.341 1.00 38.66 ATOM 1008 HG2 LYS 64 9.933 -29.563 -7.938 1.00 41.34 ATOM 1009 CD LYS 64 8.101 -29.385 -6.871 1.00 23.45 ATOM 1010 HD1 LYS 64 7.664 -29.854 -7.741 1.00 38.66 ATOM 1011 HD2 LYS 64 7.477 -28.558 -6.555 1.00 74.40 ATOM 1012 CE LYS 64 8.158 -30.399 -5.737 1.00 53.45 ATOM 1013 HE1 LYS 64 7.194 -30.418 -5.250 1.00 38.66 ATOM 1014 HE2 LYS 64 8.911 -30.106 -5.017 1.00 12.21 ATOM 1015 NZ LYS 64 8.466 -31.769 -6.233 1.00 40.43 ATOM 1016 HZ1 LYS 64 9.390 -31.781 -6.714 1.00 61.23 ATOM 1017 HZ2 LYS 64 7.734 -32.085 -6.902 1.00 61.41 ATOM 1018 HZ3 LYS 64 8.497 -32.436 -5.435 1.00 14.43 ATOM 1019 C LYS 64 10.328 -26.130 -9.745 1.00 2.53 ATOM 1020 O LYS 64 10.345 -26.477 -10.926 1.00 14.12 ATOM 1021 N LYS 65 10.008 -24.899 -9.358 1.00 34.51 ATOM 1022 HN LYS 65 10.044 -24.686 -8.400 1.00 38.66 ATOM 1023 CA LYS 65 9.650 -23.863 -10.319 1.00 60.45 ATOM 1024 HA LYS 65 8.728 -24.153 -10.798 1.00 34.02 ATOM 1025 CB LYS 65 9.450 -22.524 -9.606 1.00 62.14 ATOM 1026 HB1 LYS 65 9.060 -21.809 -10.315 1.00 38.66 ATOM 1027 HB2 LYS 65 10.396 -22.163 -9.250 1.00 34.22 ATOM 1028 CG LYS 65 8.493 -22.599 -8.429 1.00 42.43 ATOM 1029 HG1 LYS 65 8.361 -21.604 -8.026 1.00 38.66 ATOM 1030 HG2 LYS 65 8.909 -23.236 -7.667 1.00 24.22 ATOM 1031 CD LYS 65 7.138 -23.146 -8.846 1.00 3.11 ATOM 1032 HD1 LYS 65 6.514 -23.207 -7.966 1.00 38.66 ATOM 1033 HD2 LYS 65 7.248 -24.133 -9.267 1.00 23.44 ATOM 1034 CE LYS 65 6.458 -22.238 -9.859 1.00 13.25 ATOM 1035 HE1 LYS 65 6.861 -22.449 -10.838 1.00 38.66 ATOM 1036 HE2 LYS 65 6.651 -21.203 -9.606 1.00 31.15 ATOM 1037 NZ LYS 65 4.984 -22.448 -9.889 1.00 53.33 ATOM 1038 HZ1 LYS 65 4.763 -23.432 -10.148 1.00 54.31 ATOM 1039 HZ2 LYS 65 4.550 -21.815 -10.590 1.00 32.12 ATOM 1040 HZ3 LYS 65 4.570 -22.244 -8.955 1.00 61.32 ATOM 1041 C LYS 65 10.724 -23.724 -11.394 1.00 32.02 ATOM 1042 O LYS 65 10.450 -23.882 -12.584 1.00 11.24 ATOM 1043 N VAL 66 11.947 -23.429 -10.966 1.00 45.24 ATOM 1044 HN VAL 66 12.105 -23.359 -10.003 1.00 38.66 ATOM 1045 CA VAL 66 13.063 -23.271 -11.892 1.00 21.13 ATOM 1046 HA VAL 66 12.849 -22.426 -12.535 1.00 64.14 ATOM 1047 CB VAL 66 14.379 -22.991 -11.142 1.00 30.12 ATOM 1048 HB VAL 66 14.585 -23.826 -10.496 1.00 55.40 ATOM 1049 CG1 VAL 66 15.534 -22.853 -12.122 1.00 54.43 ATOM 1050 HG11 VAL 66 16.450 -22.677 -11.574 1.00 42.35 ATOM 1051 HG12 VAL 66 15.350 -22.016 -12.781 1.00 44.50 ATOM 1052 HG13 VAL 66 15.644 -23.747 -12.711 1.00 74.21 ATOM 1053 CG2 VAL 66 14.246 -21.743 -10.282 1.00 25.32 ATOM 1054 HG21 VAL 66 13.403 -21.822 -9.645 1.00 32.43 ATOM 1055 HG22 VAL 66 14.127 -20.876 -10.916 1.00 11.24 ATOM 1056 HG23 VAL 66 15.138 -21.625 -9.682 1.00 64.32 ATOM 1057 C VAL 66 13.239 -24.514 -12.758 1.00 11.54 ATOM 1058 O VAL 66 13.289 -24.426 -13.984 1.00 53.20 ATOM 1059 N ALA 67 13.332 -25.671 -12.111 1.00 12.45 ATOM 1060 HN ALA 67 13.290 -25.675 -11.126 1.00 38.66 ATOM 1061 CA ALA 67 13.499 -26.932 -12.821 1.00 64.14 ATOM 1062 HA ALA 67 14.459 -26.912 -13.319 1.00 35.13 ATOM 1063 CB ALA 67 13.503 -28.095 -11.840 1.00 12.42 ATOM 1064 HB1 ALA 67 12.522 -28.208 -11.398 1.00 40.12 ATOM 1065 HB2 ALA 67 14.225 -27.901 -11.061 1.00 30.12 ATOM 1066 HB3 ALA 67 13.774 -29.002 -12.359 1.00 32.30 ATOM 1067 C ALA 67 12.405 -27.123 -13.866 1.00 44.25 ATOM 1068 O ALA 67 12.650 -27.663 -14.945 1.00 62.04 ATOM 1069 N LYS 68 11.197 -26.677 -13.540 1.00 3.33 ATOM 1070 HN LYS 68 11.055 -26.260 -12.658 1.00 38.66 ATOM 1071 CA LYS 68 10.065 -26.797 -14.450 1.00 34.31 ATOM 1072 HA LYS 68 10.057 -27.805 -14.852 1.00 14.41 ATOM 1073 CB LYS 68 8.754 -26.541 -13.703 1.00 11.43 ATOM 1074 HB1 LYS 68 8.057 -26.065 -14.379 1.00 38.66 ATOM 1075 HB2 LYS 68 8.937 -25.871 -12.874 1.00 31.43 ATOM 1076 CG LYS 68 8.107 -27.802 -13.158 1.00 71.35 ATOM 1077 HG1 LYS 68 8.709 -28.143 -12.338 1.00 38.66 ATOM 1078 HG2 LYS 68 8.070 -28.561 -13.928 1.00 4.54 ATOM 1079 CD LYS 68 6.704 -27.531 -12.642 1.00 72.30 ATOM 1080 HD1 LYS 68 6.730 -26.705 -11.943 1.00 38.66 ATOM 1081 HD2 LYS 68 6.344 -28.416 -12.138 1.00 31.03 ATOM 1082 CE LYS 68 5.748 -27.192 -13.776 1.00 23.41 ATOM 1083 HE1 LYS 68 5.926 -27.844 -14.591 1.00 38.66 ATOM 1084 HE2 LYS 68 5.929 -26.175 -14.088 1.00 32.25 ATOM 1085 NZ LYS 68 4.325 -27.309 -13.355 1.00 14.31 ATOM 1086 HZ1 LYS 68 4.125 -26.657 -12.568 1.00 43.13 ATOM 1087 HZ2 LYS 68 4.117 -28.281 -13.047 1.00 4.11 ATOM 1088 HZ3 LYS 68 3.699 -27.071 -14.151 1.00 53.33 ATOM 1089 C LYS 68 10.197 -25.822 -15.615 1.00 70.35 ATOM 1090 O LYS 68 9.712 -26.086 -16.715 1.00 65.05 ATOM 1091 N ALA 69 10.857 -24.696 -15.367 1.00 22.02 ATOM 1092 HN ALA 69 11.197 -24.520 -14.466 1.00 38.66 ATOM 1093 CA ALA 69 11.056 -23.684 -16.397 1.00 2.13 ATOM 1094 HA ALA 69 10.111 -23.518 -16.891 1.00 12.54 ATOM 1095 CB ALA 69 11.497 -22.370 -15.768 1.00 20.54 ATOM 1096 HB1 ALA 69 11.896 -21.707 -16.518 1.00 32.43 ATOM 1097 HB2 ALA 69 12.255 -22.557 -15.027 1.00 1.13 ATOM 1098 HB3 ALA 69 10.647 -21.901 -15.295 1.00 41.14 ATOM 1099 C ALA 69 12.077 -24.146 -17.431 1.00 31.21 ATOM 1100 O ALA 69 11.845 -24.042 -18.636 1.00 3.04 ATOM 1101 N TYR 70 13.207 -24.656 -16.953 1.00 75.41 ATOM 1102 HN TYR 70 13.338 -24.710 -15.976 1.00 38.66 ATOM 1103 CA TYR 70 14.264 -25.132 -17.837 1.00 3.21 ATOM 1104 HA TYR 70 14.562 -24.309 -18.470 1.00 64.31 ATOM 1105 CB TYR 70 15.463 -25.614 -17.018 1.00 43.24 ATOM 1106 HB1 TYR 70 15.987 -26.393 -17.562 1.00 38.66 ATOM 1107 HB2 TYR 70 15.113 -26.026 -16.080 1.00 21.41 ATOM 1108 CG TYR 70 16.471 -24.526 -16.723 1.00 22.22 ATOM 1109 CD1 TYR 70 16.827 -24.219 -15.415 1.00 42.33 ATOM 1110 HD1 TYR 70 16.374 -24.768 -14.601 1.00 44.12 ATOM 1111 CD2 TYR 70 17.067 -23.806 -17.750 1.00 51.44 ATOM 1112 HD2 TYR 70 16.803 -24.030 -18.775 1.00 34.42 ATOM 1113 CE1 TYR 70 17.747 -23.225 -15.140 1.00 61.42 ATOM 1114 HE1 TYR 70 18.011 -23.001 -14.117 1.00 43.33 ATOM 1115 CE2 TYR 70 17.989 -22.812 -17.485 1.00 12.22 ATOM 1116 HE2 TYR 70 18.441 -22.264 -18.298 1.00 5.05 ATOM 1117 CZ TYR 70 18.325 -22.525 -16.178 1.00 65.23 ATOM 1118 OH TYR 70 19.242 -21.535 -15.910 1.00 4.15 ATOM 1119 HH TYR 70 20.074 -21.928 -15.627 1.00 55.04 ATOM 1120 C TYR 70 13.760 -26.259 -18.733 1.00 41.31 ATOM 1121 O TYR 70 14.097 -26.325 -19.915 1.00 21.12 ATOM 1122 N ALA 71 12.949 -27.143 -18.161 1.00 43.11 ATOM 1123 HN ALA 71 12.726 -27.051 -17.204 1.00 38.66 ATOM 1124 CA ALA 71 12.395 -28.266 -18.907 1.00 44.13 ATOM 1125 HA ALA 71 13.216 -28.893 -19.230 1.00 74.22 ATOM 1126 CB ALA 71 11.491 -29.100 -18.012 1.00 12.40 ATOM 1127 HB1 ALA 71 11.132 -29.961 -18.558 1.00 23.32 ATOM 1128 HB2 ALA 71 10.650 -28.503 -17.686 1.00 63.45 ATOM 1129 HB3 ALA 71 12.050 -29.431 -17.149 1.00 15.52 ATOM 1130 C ALA 71 11.630 -27.785 -20.135 1.00 52.12 ATOM 1131 O ALA 71 11.775 -28.338 -21.225 1.00 34.53 ATOM 1132 N ALA 72 10.814 -26.752 -19.951 1.00 44.22 ATOM 1133 HN ALA 72 10.737 -26.347 -19.054 1.00 38.66 ATOM 1134 CA ALA 72 10.027 -26.196 -21.045 1.00 11.13 ATOM 1135 HA ALA 72 9.621 -27.007 -21.632 1.00 11.45 ATOM 1136 CB ALA 72 8.857 -25.391 -20.497 1.00 24.40 ATOM 1137 HB1 ALA 72 9.224 -24.669 -19.782 1.00 52.05 ATOM 1138 HB2 ALA 72 8.163 -26.056 -20.009 1.00 51.10 ATOM 1139 HB3 ALA 72 8.350 -24.874 -21.300 1.00 50.20 ATOM 1140 C ALA 72 10.888 -25.328 -21.955 1.00 44.44 ATOM 1141 O ALA 72 10.774 -25.391 -23.180 1.00 42.23 ATOM 1142 N LEU 73 11.750 -24.517 -21.351 1.00 34.04 ATOM 1143 HN LEU 73 11.782 -24.495 -20.368 1.00 38.66 ATOM 1144 CA LEU 73 12.631 -23.635 -22.108 1.00 12.44 ATOM 1145 HA LEU 73 12.011 -22.909 -22.598 1.00 12.12 ATOM 1146 CB LEU 73 13.612 -22.932 -21.167 1.00 55.23 ATOM 1147 HB1 LEU 73 14.604 -22.960 -21.607 1.00 38.66 ATOM 1148 HB2 LEU 73 13.652 -23.484 -20.240 1.00 52.33 ATOM 1149 CG LEU 73 13.295 -21.473 -20.836 1.00 44.21 ATOM 1150 HG LEU 73 12.331 -21.423 -20.372 1.00 41.22 ATOM 1151 CD1 LEU 73 14.313 -20.916 -19.853 1.00 44.01 ATOM 1152 HD11 LEU 73 14.303 -21.507 -18.948 1.00 51.02 ATOM 1153 HD12 LEU 73 14.062 -19.892 -19.611 1.00 74.02 ATOM 1154 HD13 LEU 73 15.301 -20.949 -20.292 1.00 43.22 ATOM 1155 CD2 LEU 73 13.262 -20.633 -22.105 1.00 33.22 ATOM 1156 HD21 LEU 73 14.088 -20.903 -22.751 1.00 51.11 ATOM 1157 HD22 LEU 73 13.342 -19.586 -21.859 1.00 11.41 ATOM 1158 HD23 LEU 73 12.333 -20.803 -22.625 1.00 53.55 ATOM 1159 C LEU 73 13.398 -24.413 -23.172 1.00 31.14 ATOM 1160 O LEU 73 13.572 -23.942 -24.295 1.00 3.42 ATOM 1161 N ALA 74 13.852 -25.609 -22.810 1.00 41.32 ATOM 1162 HN ALA 74 13.697 -25.930 -21.890 1.00 38.66 ATOM 1163 CA ALA 74 14.597 -26.455 -23.735 1.00 15.52 ATOM 1164 HA ALA 74 15.505 -25.936 -24.010 1.00 71.31 ATOM 1165 CB ALA 74 14.988 -27.760 -23.058 1.00 12.32 ATOM 1166 HB1 ALA 74 14.100 -28.264 -22.715 1.00 4.32 ATOM 1167 HB2 ALA 74 15.627 -27.547 -22.213 1.00 71.21 ATOM 1168 HB3 ALA 74 15.518 -28.394 -23.756 1.00 32.34 ATOM 1169 C ALA 74 13.787 -26.733 -24.997 1.00 43.10 ATOM 1170 O ALA 74 14.334 -26.780 -26.098 1.00 62.44 ATOM 1171 N ALA 75 12.482 -26.917 -24.829 1.00 31.02 ATOM 1172 HN ALA 75 12.094 -26.872 -23.924 1.00 38.66 ATOM 1173 CA ALA 75 11.598 -27.189 -25.955 1.00 34.50 ATOM 1174 HA ALA 75 12.137 -27.782 -26.686 1.00 60.33 ATOM 1175 CB ALA 75 10.397 -28.004 -25.498 1.00 33.31 ATOM 1176 HB1 ALA 75 10.035 -28.603 -26.318 1.00 40.22 ATOM 1177 HB2 ALA 75 9.605 -27.345 -25.162 1.00 62.11 ATOM 1178 HB3 ALA 75 10.682 -28.642 -24.681 1.00 35.23 ATOM 1179 C ALA 75 11.139 -25.895 -26.619 1.00 24.42 ATOM 1180 O ALA 75 10.804 -25.878 -27.804 1.00 64.31 ATOM 1181 N LEU 76 11.126 -24.813 -25.848 1.00 62.34 ATOM 1182 HN LEU 76 11.379 -24.887 -24.904 1.00 38.66 ATOM 1183 CA LEU 76 10.708 -23.513 -26.362 1.00 21.40 ATOM 1184 HA LEU 76 9.800 -23.658 -26.922 1.00 12.10 ATOM 1185 CB LEU 76 10.450 -22.545 -25.206 1.00 61.30 ATOM 1186 HB1 LEU 76 10.850 -21.569 -25.464 1.00 38.66 ATOM 1187 HB2 LEU 76 10.988 -22.899 -24.343 1.00 10.43 ATOM 1188 CG LEU 76 8.987 -22.353 -24.805 1.00 61.41 ATOM 1189 HG LEU 76 8.562 -23.311 -24.570 1.00 10.24 ATOM 1190 CD1 LEU 76 8.884 -21.480 -23.564 1.00 72.51 ATOM 1191 HD11 LEU 76 7.846 -21.374 -23.280 1.00 62.54 ATOM 1192 HD12 LEU 76 9.302 -20.504 -23.768 1.00 13.13 ATOM 1193 HD13 LEU 76 9.429 -21.940 -22.751 1.00 42.11 ATOM 1194 CD2 LEU 76 8.194 -21.747 -25.954 1.00 5.43 ATOM 1195 HD21 LEU 76 8.842 -21.530 -26.793 1.00 65.53 ATOM 1196 HD22 LEU 76 7.717 -20.832 -25.646 1.00 32.53 ATOM 1197 HD23 LEU 76 7.437 -22.450 -26.269 1.00 30.44 ATOM 1198 C LEU 76 11.762 -22.934 -27.300 1.00 50.01 ATOM 1199 O LEU 76 11.436 -22.390 -28.355 1.00 33.34 ATOM 1200 N GLU 77 13.027 -23.056 -26.909 1.00 34.40 ATOM 1201 HN GLU 77 13.232 -23.509 -26.058 1.00 38.66 ATOM 1202 CA GLU 77 14.128 -22.546 -27.717 1.00 1.45 ATOM 1203 HA GLU 77 13.830 -21.597 -28.147 1.00 45.23 ATOM 1204 CB GLU 77 15.365 -22.316 -26.845 1.00 52.13 ATOM 1205 HB1 GLU 77 16.135 -21.843 -27.441 1.00 38.66 ATOM 1206 HB2 GLU 77 15.732 -23.274 -26.497 1.00 44.35 ATOM 1207 CG GLU 77 15.097 -21.453 -25.624 1.00 31.04 ATOM 1208 HG1 GLU 77 15.943 -21.534 -24.957 1.00 38.66 ATOM 1209 HG2 GLU 77 14.214 -21.798 -25.115 1.00 75.24 ATOM 1210 CD GLU 77 14.906 -19.990 -25.973 1.00 53.03 ATOM 1211 OE1 GLU 77 15.885 -19.222 -25.873 1.00 24.45 ATOM 1212 OE2 GLU 77 13.776 -19.613 -26.348 1.00 75.01 ATOM 1213 C GLU 77 14.464 -23.509 -28.851 1.00 34.50 ATOM 1214 O GLU 77 14.996 -23.108 -29.886 1.00 54.50 ATOM 1215 N LYS 78 14.149 -24.785 -28.648 1.00 44.54 ATOM 1216 HN LYS 78 13.729 -25.060 -27.801 1.00 38.66 ATOM 1217 CA LYS 78 14.416 -25.808 -29.653 1.00 12.54 ATOM 1218 HA LYS 78 15.355 -25.572 -30.143 1.00 70.42 ATOM 1219 CB LYS 78 14.541 -27.181 -28.990 1.00 61.31 ATOM 1220 HB1 LYS 78 13.595 -27.456 -28.542 1.00 38.66 ATOM 1221 HB2 LYS 78 15.284 -27.103 -28.211 1.00 52.04 ATOM 1222 CG LYS 78 14.999 -28.275 -29.940 1.00 32.04 ATOM 1223 HG1 LYS 78 15.653 -28.939 -29.394 1.00 38.66 ATOM 1224 HG2 LYS 78 15.547 -27.838 -30.767 1.00 11.43 ATOM 1225 CD LYS 78 13.822 -29.062 -30.493 1.00 3.34 ATOM 1226 HD1 LYS 78 13.414 -28.519 -31.329 1.00 38.66 ATOM 1227 HD2 LYS 78 13.063 -29.185 -29.732 1.00 52.34 ATOM 1228 CE LYS 78 14.250 -30.439 -30.976 1.00 4.12 ATOM 1229 HE1 LYS 78 15.163 -30.353 -31.552 1.00 38.66 ATOM 1230 HE2 LYS 78 13.472 -30.837 -31.607 1.00 74.33 ATOM 1231 NZ LYS 78 14.477 -31.378 -29.843 1.00 21.51 ATOM 1232 HZ1 LYS 78 13.576 -31.748 -29.500 1.00 53.04 ATOM 1233 HZ2 LYS 78 14.977 -30.914 -29.063 1.00 0.12 ATOM 1234 HZ3 LYS 78 15.055 -32.179 -30.168 1.00 54.10 ATOM 1235 C LYS 78 13.312 -25.838 -30.705 1.00 12.32 ATOM 1236 O LYS 78 13.584 -25.816 -31.906 1.00 1.51 ATOM 1237 N LEU 79 12.066 -25.887 -30.247 1.00 12.21 ATOM 1238 HN LEU 79 11.909 -25.894 -29.274 1.00 38.66 ATOM 1239 CA LEU 79 10.920 -25.918 -31.149 1.00 72.21 ATOM 1240 HA LEU 79 11.167 -26.531 -32.005 1.00 70.21 ATOM 1241 CB LEU 79 9.704 -26.518 -30.441 1.00 22.44 ATOM 1242 HB1 LEU 79 8.903 -26.585 -31.168 1.00 38.66 ATOM 1243 HB2 LEU 79 9.390 -25.842 -29.659 1.00 34.21 ATOM 1244 CG LEU 79 9.900 -27.907 -29.831 1.00 64.14 ATOM 1245 HG LEU 79 10.606 -27.847 -29.020 1.00 3.01 ATOM 1246 CD1 LEU 79 8.589 -28.435 -29.271 1.00 55.45 ATOM 1247 HD11 LEU 79 7.861 -28.523 -30.066 1.00 12.33 ATOM 1248 HD12 LEU 79 8.217 -27.754 -28.518 1.00 12.22 ATOM 1249 HD13 LEU 79 8.750 -29.406 -28.823 1.00 4.01 ATOM 1250 CD2 LEU 79 10.466 -28.869 -30.867 1.00 15.34 ATOM 1251 HD21 LEU 79 10.656 -29.826 -30.403 1.00 4.41 ATOM 1252 HD22 LEU 79 11.379 -28.489 -31.271 1.00 74.04 ATOM 1253 HD23 LEU 79 9.752 -29.000 -31.668 1.00 22.33 ATOM 1254 C LEU 79 10.587 -24.518 -31.656 1.00 64.50 ATOM 1255 O LEU 79 10.257 -24.333 -32.828 1.00 21.34 ATOM 1256 N PHE 80 10.679 -23.535 -30.767 1.00 30.44 ATOM 1257 HN PHE 80 10.936 -23.731 -29.838 1.00 38.66 ATOM 1258 CA PHE 80 10.389 -22.152 -31.124 1.00 2.41 ATOM 1259 HA PHE 80 10.104 -22.098 -32.167 1.00 42.31 ATOM 1260 CB PHE 80 9.218 -21.623 -30.294 1.00 12.23 ATOM 1261 HB1 PHE 80 8.872 -20.699 -30.737 1.00 38.66 ATOM 1262 HB2 PHE 80 9.542 -21.418 -29.283 1.00 62.40 ATOM 1263 CG PHE 80 8.051 -22.567 -30.233 1.00 25.31 ATOM 1264 CD1 PHE 80 7.261 -22.785 -31.350 1.00 33.34 ATOM 1265 HD1 PHE 80 7.486 -22.269 -32.274 1.00 42.32 ATOM 1266 CD2 PHE 80 7.746 -23.238 -29.059 1.00 43.43 ATOM 1267 HD2 PHE 80 8.351 -23.086 -28.194 1.00 33.11 ATOM 1268 CE1 PHE 80 6.186 -23.653 -31.296 1.00 25.21 ATOM 1269 HE1 PHE 80 5.577 -23.814 -32.173 1.00 41.03 ATOM 1270 CE2 PHE 80 6.674 -24.107 -29.000 1.00 35.22 ATOM 1271 HE2 PHE 80 6.448 -24.624 -28.090 1.00 3.43 ATOM 1272 CZ PHE 80 5.893 -24.316 -30.120 1.00 43.01 ATOM 1273 HZ PHE 80 5.055 -24.993 -30.076 1.00 24.34 ATOM 1274 C PHE 80 11.615 -21.268 -30.915 1.00 3.21 ATOM 1275 O PHE 80 11.652 -20.413 -30.029 1.00 64.32 ATOM 1276 N PRO 81 12.644 -21.477 -31.749 1.00 63.43 ATOM 1277 CA PRO 81 13.891 -20.710 -31.677 1.00 24.34 ATOM 1278 HA PRO 81 14.315 -20.734 -30.683 1.00 63.43 ATOM 1279 CB PRO 81 14.818 -21.446 -32.648 1.00 33.31 ATOM 1280 HB1 PRO 81 15.404 -22.170 -32.106 1.00 38.66 ATOM 1281 HB2 PRO 81 15.481 -20.751 -33.149 1.00 22.30 ATOM 1282 CG PRO 81 13.901 -22.116 -33.612 1.00 34.31 ATOM 1283 HG1 PRO 81 14.371 -23.009 -33.997 1.00 38.66 ATOM 1284 HG2 PRO 81 13.657 -21.449 -34.422 1.00 62.22 ATOM 1285 CD PRO 81 12.669 -22.479 -32.828 1.00 64.14 ATOM 1286 HD1 PRO 81 12.781 -23.471 -32.428 1.00 38.66 ATOM 1287 HD2 PRO 81 11.792 -22.411 -33.454 1.00 54.05 ATOM 1288 C PRO 81 13.707 -19.261 -32.112 1.00 15.30 ATOM 1289 O PRO 81 14.145 -18.336 -31.427 1.00 74.20 ATOM 1290 N ASP 82 13.055 -19.069 -33.254 1.00 22.31 ATOM 1291 HN ASP 82 12.683 -19.825 -33.744 1.00 38.66 ATOM 1292 CA ASP 82 12.811 -17.731 -33.780 1.00 30.32 ATOM 1293 HA ASP 82 12.415 -17.846 -34.780 1.00 4.03 ATOM 1294 CB ASP 82 11.795 -16.994 -32.906 1.00 73.41 ATOM 1295 HB1 ASP 82 12.302 -16.470 -32.104 1.00 38.66 ATOM 1296 HB2 ASP 82 11.112 -17.714 -32.473 1.00 52.33 ATOM 1297 CG ASP 82 10.976 -15.989 -33.692 1.00 63.23 ATOM 1298 OD1 ASP 82 11.570 -15.032 -34.231 1.00 44.25 ATOM 1299 OD2 ASP 82 9.742 -16.160 -33.769 1.00 71.23 ATOM 1300 C ASP 82 14.108 -16.932 -33.857 1.00 23.43 ATOM 1301 O ASP 82 14.116 -15.718 -33.654 1.00 53.31 ATOM 1302 N THR 83 15.206 -17.623 -34.150 1.00 1.31 ATOM 1303 HN THR 83 15.143 -18.589 -34.334 1.00 38.66 ATOM 1304 CA THR 83 16.510 -16.979 -34.251 1.00 55.23 ATOM 1305 HA THR 83 16.746 -16.582 -33.271 1.00 41.11 ATOM 1306 CB THR 83 17.602 -17.983 -34.665 1.00 73.11 ATOM 1307 HB THR 83 18.378 -17.476 -35.224 1.00 24.42 ATOM 1308 OG1 THR 83 17.040 -19.002 -35.500 1.00 54.52 ATOM 1309 HG1 THR 83 16.956 -18.673 -36.399 1.00 54.24 ATOM 1310 CG2 THR 83 18.243 -18.620 -33.441 1.00 73.25 ATOM 1311 HG21 THR 83 19.004 -19.318 -33.758 1.00 71.55 ATOM 1312 HG22 THR 83 17.491 -19.144 -32.869 1.00 15.41 ATOM 1313 HG23 THR 83 18.694 -17.853 -32.827 1.00 21.50 ATOM 1314 C THR 83 16.480 -15.834 -35.257 1.00 44.13 ATOM 1315 O THR 83 15.612 -15.762 -36.127 1.00 42.13 ATOM 1316 N PRO 84 17.452 -14.916 -35.139 1.00 35.21 ATOM 1317 CA PRO 84 17.559 -13.758 -36.031 1.00 63.11 ATOM 1318 HA PRO 84 16.633 -13.198 -36.062 1.00 20.50 ATOM 1319 CB PRO 84 18.649 -12.906 -35.376 1.00 42.01 ATOM 1320 HB1 PRO 84 18.189 -12.179 -34.724 1.00 38.66 ATOM 1321 HB2 PRO 84 19.241 -12.393 -36.125 1.00 64.32 ATOM 1322 CG PRO 84 19.471 -13.875 -34.598 1.00 11.32 ATOM 1323 HG1 PRO 84 19.925 -13.377 -33.754 1.00 38.66 ATOM 1324 HG2 PRO 84 20.230 -14.306 -35.234 1.00 21.54 ATOM 1325 CD PRO 84 18.519 -14.939 -34.125 1.00 44.13 ATOM 1326 HD1 PRO 84 18.129 -14.687 -33.149 1.00 38.66 ATOM 1327 HD2 PRO 84 19.025 -15.883 -34.093 1.00 52.22 ATOM 1328 C PRO 84 17.970 -14.152 -37.446 1.00 35.32 ATOM 1329 O PRO 84 18.686 -15.134 -37.645 1.00 20.45 ATOM 1330 N LEU 85 17.512 -13.381 -38.426 1.00 31.31 ATOM 1331 HN LEU 85 16.936 -12.610 -38.213 1.00 38.66 ATOM 1332 CA LEU 85 17.832 -13.650 -39.824 1.00 1.14 ATOM 1333 HA LEU 85 18.562 -14.448 -39.880 1.00 0.34 ATOM 1334 CB LEU 85 16.577 -14.090 -40.579 1.00 50.24 ATOM 1335 HB1 LEU 85 16.906 -14.483 -41.533 1.00 38.66 ATOM 1336 HB2 LEU 85 15.966 -13.213 -40.776 1.00 10.22 ATOM 1337 CG LEU 85 15.713 -15.145 -39.888 1.00 71.35 ATOM 1338 HG LEU 85 16.323 -15.728 -39.210 1.00 44.43 ATOM 1339 CD1 LEU 85 14.614 -14.484 -39.071 1.00 72.15 ATOM 1340 HD11 LEU 85 15.048 -13.841 -38.321 1.00 11.35 ATOM 1341 HD12 LEU 85 14.020 -15.244 -38.582 1.00 61.21 ATOM 1342 HD13 LEU 85 13.979 -13.898 -39.721 1.00 2.34 ATOM 1343 CD2 LEU 85 15.117 -16.101 -40.912 1.00 45.34 ATOM 1344 HD21 LEU 85 14.529 -16.854 -40.406 1.00 61.01 ATOM 1345 HD22 LEU 85 15.912 -16.583 -41.463 1.00 13.42 ATOM 1346 HD23 LEU 85 14.485 -15.554 -41.599 1.00 41.51 ATOM 1347 C LEU 85 18.435 -12.418 -40.491 1.00 4.25 ATOM 1348 O LEU 85 18.502 -11.345 -39.891 1.00 25.43 ATOM 1349 N ALA 86 18.871 -12.579 -41.736 1.00 22.03 ATOM 1350 HN ALA 86 18.778 -13.459 -42.173 1.00 38.66 ATOM 1351 CA ALA 86 19.465 -11.479 -42.486 1.00 33.14 ATOM 1352 HA ALA 86 19.901 -10.772 -41.786 1.00 14.24 ATOM 1353 CB ALA 86 20.595 -11.990 -43.367 1.00 32.32 ATOM 1354 HB1 ALA 86 21.326 -12.495 -42.753 1.00 0.04 ATOM 1355 HB2 ALA 86 21.066 -11.159 -43.874 1.00 32.42 ATOM 1356 HB3 ALA 86 20.202 -12.683 -44.098 1.00 65.52 ATOM 1357 C ALA 86 18.417 -10.761 -43.329 1.00 73.45 ATOM 1358 O ALA 86 18.053 -11.224 -44.412 1.00 3.31 ATOM 1359 N LEU 87 17.934 -9.630 -42.828 1.00 34.21 ATOM 1360 HN LEU 87 18.311 -9.288 -41.990 1.00 38.66 ATOM 1361 CA LEU 87 16.926 -8.848 -43.536 1.00 32.32 ATOM 1362 HA LEU 87 16.024 -9.442 -43.598 1.00 41.40 ATOM 1363 CB LEU 87 16.623 -7.559 -42.771 1.00 53.41 ATOM 1364 HB1 LEU 87 16.092 -6.892 -43.445 1.00 38.66 ATOM 1365 HB2 LEU 87 17.564 -7.088 -42.514 1.00 10.03 ATOM 1366 CG LEU 87 15.782 -7.712 -41.503 1.00 4.12 ATOM 1367 HG LEU 87 15.000 -8.440 -41.676 1.00 71.14 ATOM 1368 CD1 LEU 87 16.640 -8.213 -40.352 1.00 23.34 ATOM 1369 HD11 LEU 87 17.550 -7.631 -40.285 1.00 64.54 ATOM 1370 HD12 LEU 87 16.884 -9.250 -40.511 1.00 54.32 ATOM 1371 HD13 LEU 87 16.093 -8.125 -39.422 1.00 11.15 ATOM 1372 CD2 LEU 87 15.119 -6.392 -41.140 1.00 54.40 ATOM 1373 HD21 LEU 87 15.876 -5.643 -40.947 1.00 54.20 ATOM 1374 HD22 LEU 87 14.510 -6.523 -40.256 1.00 11.40 ATOM 1375 HD23 LEU 87 14.492 -6.065 -41.958 1.00 22.21 ATOM 1376 C LEU 87 17.389 -8.517 -44.951 1.00 34.10 ATOM 1377 O LEU 87 16.573 -8.335 -45.855 1.00 12.11 ATOM 1378 N ASP 88 18.702 -8.443 -45.136 1.00 51.20 ATOM 1379 HN ASP 88 19.319 -8.551 -44.379 1.00 38.66 ATOM 1380 CA ASP 88 19.274 -8.137 -46.442 1.00 71.12 ATOM 1381 HA ASP 88 18.492 -7.744 -47.086 1.00 31.12 ATOM 1382 CB ASP 88 20.358 -7.066 -46.310 1.00 15.20 ATOM 1383 HB1 ASP 88 20.800 -6.880 -47.280 1.00 38.66 ATOM 1384 HB2 ASP 88 21.123 -7.416 -45.633 1.00 52.42 ATOM 1385 CG ASP 88 19.813 -5.754 -45.779 1.00 23.33 ATOM 1386 OD1 ASP 88 20.033 -5.461 -44.585 1.00 61.31 ATOM 1387 OD2 ASP 88 19.167 -5.021 -46.556 1.00 71.24 ATOM 1388 C ASP 88 19.857 -9.391 -47.087 1.00 54.32 ATOM 1389 O ASP 88 20.829 -9.960 -46.593 1.00 61.11 ATOM 1390 N ALA 89 19.254 -9.815 -48.193 1.00 62.51 ATOM 1391 HN ALA 89 18.482 -9.312 -48.548 1.00 38.66 ATOM 1392 CA ALA 89 19.714 -11.001 -48.906 1.00 52.21 ATOM 1393 HA ALA 89 19.846 -11.802 -48.185 1.00 42.32 ATOM 1394 CB ALA 89 18.661 -11.456 -49.906 1.00 63.41 ATOM 1395 HB1 ALA 89 18.986 -12.367 -50.388 1.00 11.10 ATOM 1396 HB2 ALA 89 18.510 -10.688 -50.651 1.00 15.32 ATOM 1397 HB3 ALA 89 17.731 -11.638 -49.388 1.00 70.10 ATOM 1398 C ALA 89 21.039 -10.737 -49.613 1.00 52.11 ATOM 1399 O ALA 89 21.070 -10.150 -50.694 1.00 3.34 ATOM 1400 N ASN 90 22.131 -11.174 -48.995 1.00 63.32 ATOM 1401 HN ASN 90 22.042 -11.650 -48.134 1.00 38.66 ATOM 1402 CA ASN 90 23.460 -10.984 -49.566 1.00 10.25 ATOM 1403 HA ASN 90 23.498 -9.992 -50.001 1.00 31.30 ATOM 1404 CB ASN 90 24.527 -11.100 -48.475 1.00 41.43 ATOM 1405 HB1 ASN 90 24.707 -12.139 -48.233 1.00 38.66 ATOM 1406 HB2 ASN 90 24.175 -10.593 -47.587 1.00 11.31 ATOM 1407 CG ASN 90 25.841 -10.460 -48.882 1.00 31.51 ATOM 1408 OD1 ASN 90 26.880 -11.119 -48.915 1.00 63.33 ATOM 1409 ND2 ASN 90 25.800 -9.170 -49.193 1.00 74.22 ATOM 1410 HD21 ASN 90 24.944 -8.689 -49.145 1.00 20.11 ATOM 1411 HD22 ASN 90 26.639 -8.741 -49.462 1.00 44.02 ATOM 1412 C ASN 90 23.730 -12.004 -50.668 1.00 2.53 ATOM 1413 O ASN 90 24.581 -12.881 -50.522 1.00 22.41 ATOM 1414 N LYS 91 23.000 -11.881 -51.771 1.00 65.13 ATOM 1415 HN LYS 91 22.363 -11.136 -51.853 1.00 38.66 ATOM 1416 HA LYS 91 23.487 -13.755 -52.529 1.00 24.52 ATOM 1417 CB LYS 91 21.826 -12.980 -53.622 1.00 74.05 ATOM 1418 HB1 LYS 91 21.962 -13.717 -54.404 1.00 38.66 ATOM 1419 HB2 LYS 91 21.531 -12.040 -54.072 1.00 65.21 ATOM 1420 CG LYS 91 20.700 -13.436 -52.710 1.00 2.00 ATOM 1421 HG1 LYS 91 20.276 -12.572 -52.216 1.00 38.66 ATOM 1422 HG2 LYS 91 21.093 -14.118 -51.966 1.00 44.44 ATOM 1423 CD LYS 91 19.609 -14.154 -53.486 1.00 41.03 ATOM 1424 HD1 LYS 91 18.889 -14.551 -52.784 1.00 38.66 ATOM 1425 HD2 LYS 91 20.046 -14.967 -54.051 1.00 73.22 ATOM 1426 CE LYS 91 18.895 -13.213 -54.444 1.00 12.30 ATOM 1427 HE1 LYS 91 19.515 -13.071 -55.317 1.00 38.66 ATOM 1428 HE2 LYS 91 18.733 -12.258 -53.959 1.00 75.22 ATOM 1429 NZ LYS 91 17.575 -13.754 -54.873 1.00 3.35 ATOM 1430 HZ1 LYS 91 17.114 -13.088 -55.525 1.00 45.20 ATOM 1431 HZ2 LYS 91 16.955 -13.894 -54.048 1.00 12.02 ATOM 1432 HZ3 LYS 91 17.699 -14.666 -55.360 1.00 71.04 ATOM 1433 CA LYS 91 23.161 -12.790 -52.900 1.00 43.22 ATOM 1434 C LYS 91 24.209 -12.264 -53.877 1.00 31.45 ATOM 1435 OT1 LYS 91 24.064 -11.112 -54.342 1.00 38.66 ATOM 1436 OT2 LYS 91 25.169 -13.008 -54.171 1.00 38.66 ATOM 1437 OH2 TIP3 1 -0.959 -38.799 -32.438 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 -0.819 -39.390 -33.177 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 -0.791 -37.926 -32.794 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 1.596 -36.118 -30.861 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 1.547 -37.073 -30.898 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 0.770 -35.850 -30.459 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 1.141 -39.077 -30.918 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 0.289 -38.839 -31.285 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 1.731 -39.094 -31.671 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -2.679 -34.492 -32.074 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 -3.281 -35.047 -32.569 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 -2.398 -33.825 -32.700 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -1.409 -34.238 -36.107 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -1.565 -33.560 -36.764 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -0.477 -34.166 -35.904 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -4.521 -36.268 -29.530 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -4.872 -37.124 -29.287 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -3.795 -36.125 -28.923 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 1.307 -33.588 -35.878 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 1.285 -33.403 -34.939 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 1.997 -33.019 -36.219 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -0.679 -38.231 -28.318 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -1.545 -38.336 -27.924 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -0.303 -37.472 -27.871 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 0.775 -39.136 -36.032 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 1.609 -39.514 -36.313 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 0.887 -38.193 -36.151 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -0.738 -36.258 -33.725 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -1.386 -35.933 -33.100 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -1.256 -36.698 -34.400 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -4.960 -32.910 -31.301 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -4.283 -33.542 -31.541 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -4.638 -32.508 -30.493 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 -2.104 -32.402 -34.011 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -2.286 -31.486 -34.222 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 -1.928 -32.812 -34.858 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -0.757 -34.967 -30.148 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -1.539 -35.153 -30.668 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -0.829 -34.038 -29.931 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -5.207 -41.081 -21.262 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -5.118 -40.137 -21.394 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 -5.846 -41.356 -21.920 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 -2.568 -38.887 -19.541 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 -3.009 -39.607 -19.091 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 -2.581 -38.166 -18.911 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -5.457 -33.782 -19.329 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -4.837 -34.459 -19.602 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -5.665 -34.000 -18.421 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -5.410 -38.480 -22.219 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -5.706 -38.802 -23.070 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -5.734 -37.580 -22.177 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 -3.804 -35.266 -20.568 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -3.379 -35.973 -21.053 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 -3.487 -34.465 -20.985 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 -2.645 -37.365 -22.059 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 -2.902 -38.055 -22.671 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 -2.574 -37.808 -21.214 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -0.959 -38.799 -13.582 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -0.819 -39.390 -14.321 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -0.791 -37.926 -13.938 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 0.883 -42.459 -15.516 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 0.231 -41.764 -15.427 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 1.348 -42.249 -16.326 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 -3.080 -41.627 -22.858 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 -3.812 -41.399 -22.285 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 -2.633 -42.341 -22.403 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -4.759 -36.725 -16.608 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -5.000 -36.063 -15.960 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -4.957 -37.559 -16.183 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -6.483 -35.728 -21.738 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -6.009 -35.433 -20.960 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 -7.046 -34.990 -21.971 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 0.679 -36.349 -26.983 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 0.752 -35.410 -26.813 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 1.584 -36.654 -27.040 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 1.596 -36.118 -12.005 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 1.547 -37.073 -12.042 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 0.770 -35.850 -11.603 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -7.011 -32.772 -23.323 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -7.086 -32.893 -24.269 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -6.978 -31.822 -23.204 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -1.122 -32.250 -10.898 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -0.922 -31.826 -11.733 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -0.466 -31.907 -10.291 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -1.174 -40.635 -15.667 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -0.532 -40.178 -16.210 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -2.004 -40.522 -16.129 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 -4.554 -37.122 -13.266 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 -5.455 -36.939 -13.534 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 -4.520 -36.863 -12.345 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 1.177 -44.877 -24.899 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 0.623 -45.273 -25.571 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 1.278 -43.967 -25.176 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 1.141 -39.077 -12.062 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 0.289 -38.839 -12.429 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 1.731 -39.094 -12.815 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -3.367 -41.283 -17.412 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -4.295 -41.515 -17.439 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -2.916 -42.060 -17.742 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -5.338 -39.044 -15.687 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -5.764 -39.271 -14.861 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -4.757 -39.782 -15.870 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -3.135 -38.115 -26.613 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -2.782 -38.495 -25.809 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -4.084 -38.208 -26.527 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -2.679 -34.492 -13.218 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -3.281 -35.047 -13.713 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -2.398 -33.825 -13.844 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -2.269 -39.442 -24.387 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -2.546 -40.170 -23.831 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -1.342 -39.323 -24.181 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -7.369 -35.735 -24.961 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -8.186 -35.238 -24.908 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -6.840 -35.260 -25.601 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 -7.006 -35.140 -28.028 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 -7.650 -35.771 -27.706 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 -6.244 -35.671 -28.260 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 -2.402 -35.323 -27.794 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 -2.119 -36.117 -27.341 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 -1.662 -35.090 -28.355 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 -3.398 -39.871 -13.253 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 -2.653 -39.283 -13.373 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 -4.155 -39.289 -13.190 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 0.163 -40.843 -27.923 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 -0.110 -41.268 -28.736 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 0.203 -39.912 -28.140 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 -9.329 -32.507 -26.367 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -8.396 -32.349 -26.223 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 -9.593 -31.832 -26.992 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 0.622 -39.974 -23.948 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 1.472 -39.553 -23.820 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 0.627 -40.714 -23.340 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 1.016 -41.921 -22.124 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 0.290 -42.400 -21.726 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 1.597 -41.715 -21.392 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 1.284 -42.020 -25.733 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 0.763 -41.663 -26.452 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 1.251 -41.345 -25.055 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 -0.341 -41.430 -11.922 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 0.242 -42.164 -11.731 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 0.223 -40.658 -11.876 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 -7.036 -32.850 -16.395 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 -7.493 -32.321 -17.049 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 -6.873 -32.247 -15.670 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -4.709 -33.972 -15.450 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -5.613 -33.807 -15.716 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -4.280 -33.119 -15.516 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -2.104 -32.402 -15.155 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -2.286 -31.486 -15.366 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -1.928 -32.812 -16.002 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -6.684 -33.281 -26.122 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -5.818 -32.915 -26.300 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -6.931 -33.721 -26.935 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -0.757 -34.967 -11.292 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -1.539 -35.153 -11.812 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -0.829 -34.038 -11.075 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 0.679 -36.349 -8.127 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 0.752 -35.410 -7.957 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 1.584 -36.654 -8.184 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 1.369 -33.635 -7.556 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 2.112 -33.049 -7.696 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 0.674 -33.067 -7.223 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 -2.103 -28.620 -38.311 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 -2.318 -29.386 -37.779 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 -1.447 -28.148 -37.798 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -1.756 -29.905 -34.632 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -2.492 -29.294 -34.670 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -1.072 -29.490 -35.158 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 -0.959 -19.943 -32.438 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 -0.819 -20.534 -33.177 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 -0.791 -19.070 -32.794 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 0.883 -23.603 -34.372 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 0.231 -22.908 -34.283 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 1.348 -23.393 -35.182 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 -3.183 -24.597 -32.646 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 -3.103 -23.834 -32.074 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 -3.784 -24.318 -33.337 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 -3.495 -27.437 -32.160 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 -4.009 -27.563 -31.363 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 -3.650 -26.525 -32.405 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 -6.758 -25.137 -30.076 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 -7.321 -25.841 -29.756 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -5.932 -25.257 -29.609 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -4.409 -29.066 -36.031 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -5.086 -28.935 -35.367 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -4.895 -29.221 -36.841 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 -1.174 -21.779 -34.523 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 -0.532 -21.322 -35.066 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 -2.004 -21.666 -34.985 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -9.174 -23.639 -30.012 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 -9.470 -23.805 -30.907 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -8.243 -23.859 -30.022 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 -4.554 -18.266 -32.122 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 -5.455 -18.083 -32.390 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 -4.520 -18.007 -31.201 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -5.822 -28.662 -33.777 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -5.124 -28.588 -33.127 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 -6.203 -29.526 -33.622 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -7.302 -26.296 -32.660 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -7.183 -25.722 -31.903 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -6.647 -26.984 -32.545 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -4.521 -17.412 -29.530 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -4.872 -18.268 -29.287 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -3.795 -17.269 -28.923 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -9.133 -20.931 -29.492 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -9.461 -20.660 -30.350 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -8.981 -21.872 -29.580 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -3.398 -21.015 -32.109 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -2.653 -20.427 -32.229 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -4.155 -20.433 -32.046 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -5.989 -22.221 -28.853 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -5.036 -22.137 -28.881 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -6.149 -22.932 -28.234 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -10.669 -27.337 -31.048 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -10.519 -28.066 -31.651 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -10.667 -26.560 -31.607 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -12.191 -26.139 -29.137 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -12.958 -26.671 -29.347 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -11.512 -26.449 -29.736 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -8.187 -27.189 -29.561 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -8.423 -27.409 -28.659 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -8.970 -27.396 -30.070 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -5.471 -28.062 -30.485 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -6.419 -28.030 -30.353 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -5.159 -28.687 -29.831 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -8.876 -30.534 -28.399 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -9.007 -31.010 -29.220 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -9.475 -29.790 -28.455 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 1.307 -14.732 -35.878 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 1.285 -14.547 -34.939 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 1.997 -14.163 -36.219 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 0.870 -15.165 -32.956 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 0.383 -15.900 -33.327 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 1.419 -15.558 -32.278 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 0.775 -20.280 -36.032 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 1.609 -20.658 -36.313 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 0.887 -19.337 -36.151 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -0.738 -17.402 -33.725 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -1.386 -17.077 -33.100 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -1.256 -17.842 -34.400 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -0.875 -26.380 -36.519 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 0.058 -26.168 -36.553 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -1.110 -26.278 -35.596 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -0.846 -25.643 -33.743 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -1.689 -25.375 -33.377 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -0.403 -24.821 -33.954 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -1.470 -31.908 -37.786 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -0.866 -31.360 -38.287 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -2.339 -31.588 -38.026 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 0.257 -30.769 -39.452 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 0.869 -31.283 -39.979 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 0.640 -29.891 -39.429 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -3.933 -32.184 -28.841 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -3.857 -32.610 -27.987 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -3.040 -32.170 -29.183 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -0.757 -16.111 -30.148 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -1.539 -16.297 -30.668 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -0.829 -15.182 -29.931 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -5.207 -22.225 -21.262 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -5.118 -21.281 -21.394 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -5.846 -22.500 -21.920 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -6.274 -22.970 -17.843 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -6.312 -23.616 -17.138 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -6.597 -23.436 -18.614 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -5.457 -14.926 -19.329 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -4.837 -15.603 -19.602 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -5.665 -15.144 -18.421 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -4.744 -26.143 -17.109 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -4.601 -27.090 -17.089 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -4.850 -25.936 -18.038 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -11.589 -28.042 -19.837 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -11.546 -27.182 -20.255 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -12.047 -28.594 -20.470 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -9.813 -24.095 -19.859 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -9.197 -24.621 -19.350 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -10.399 -24.735 -20.263 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -1.756 -29.905 -15.776 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -2.492 -29.294 -15.814 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -1.072 -29.490 -16.302 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -8.753 -31.818 -18.310 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -8.870 -32.767 -18.364 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -9.608 -31.486 -18.037 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -3.183 -24.597 -13.790 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -3.103 -23.834 -13.218 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -3.784 -24.318 -14.481 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -4.759 -17.869 -16.608 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -5.000 -17.207 -15.960 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -4.957 -18.703 -16.183 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -6.483 -16.872 -21.738 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -6.009 -16.577 -20.960 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -7.046 -16.134 -21.971 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -12.445 -23.071 -23.386 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -12.737 -22.303 -23.877 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -13.119 -23.731 -23.549 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 1.596 -17.262 -12.005 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 1.547 -18.217 -12.042 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 0.770 -16.994 -11.603 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -7.011 -13.916 -23.323 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -7.086 -14.037 -24.269 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -6.978 -12.966 -23.204 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -3.909 -14.762 -26.320 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -3.534 -15.506 -26.791 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -3.905 -15.032 -25.402 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -4.240 -14.836 -23.571 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -5.175 -14.736 -23.392 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -3.960 -15.545 -22.993 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -1.252 -25.769 -11.525 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -1.659 -25.288 -12.245 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -1.211 -26.674 -11.832 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -3.495 -27.437 -13.304 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -4.009 -27.563 -12.507 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -3.650 -26.525 -13.549 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -11.396 -25.728 -21.525 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -12.289 -26.069 -21.584 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -10.945 -26.105 -22.281 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 -10.277 -28.255 -27.772 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 -10.708 -28.700 -27.042 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 -10.995 -27.883 -28.284 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -5.592 -24.228 -15.223 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -5.268 -24.859 -15.866 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -6.032 -24.763 -14.562 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -8.814 -28.301 -20.439 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -9.725 -28.244 -20.150 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -8.309 -28.361 -19.628 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -10.333 -26.672 -23.956 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -9.401 -26.543 -23.778 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -10.548 -26.002 -24.605 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -4.409 -29.066 -17.175 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -5.086 -28.935 -16.511 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -4.895 -29.221 -17.985 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -11.659 -25.477 -26.389 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -12.201 -25.857 -27.080 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -10.825 -25.283 -26.818 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -1.122 -13.394 -10.898 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 -0.922 -12.970 -11.733 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -0.466 -13.051 -10.291 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -7.494 -25.513 -18.552 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -6.930 -26.060 -19.099 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -7.642 -26.035 -17.763 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -12.492 -29.377 -22.134 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -12.809 -30.279 -22.169 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -11.711 -29.375 -22.686 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -8.868 -27.125 -16.138 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -9.703 -26.671 -16.028 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -8.344 -26.849 -15.386 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -8.324 -20.912 -24.453 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -9.068 -21.419 -24.776 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -8.458 -20.863 -23.507 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -1.174 -21.779 -15.667 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -0.532 -21.322 -16.210 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -2.004 -21.666 -16.129 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -6.198 -19.453 -25.428 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -6.493 -18.627 -25.046 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -6.901 -20.073 -25.232 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -4.554 -18.266 -13.266 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -5.455 -18.083 -13.534 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -4.520 -18.007 -12.345 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 1.141 -20.221 -12.062 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 0.289 -19.983 -12.429 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 1.731 -20.238 -12.815 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 -3.367 -22.427 -17.412 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 -4.295 -22.659 -17.439 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 -2.916 -23.204 -17.742 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -9.397 -20.436 -21.703 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -9.638 -19.511 -21.661 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -10.137 -20.895 -21.307 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -5.338 -20.188 -15.687 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -5.764 -20.415 -14.861 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -4.757 -20.926 -15.870 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -2.679 -15.636 -13.218 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -3.281 -16.191 -13.713 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -2.398 -14.969 -13.844 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 1.369 -14.779 -26.412 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 2.112 -14.193 -26.552 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 0.674 -14.211 -26.079 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -9.044 -18.147 -28.166 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -8.805 -18.895 -28.714 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -9.313 -18.535 -27.334 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -10.107 -18.577 -25.710 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -9.960 -19.097 -24.920 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -10.110 -17.670 -25.404 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -7.369 -16.879 -24.961 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -8.186 -16.382 -24.908 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -6.840 -16.404 -25.601 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -11.297 -29.138 -25.363 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -11.380 -28.249 -25.017 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -10.407 -29.403 -25.132 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -1.098 -28.389 -12.969 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -2.014 -28.126 -13.057 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -0.762 -28.392 -13.866 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -1.409 -15.382 -17.251 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -1.565 -14.704 -17.908 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -0.477 -15.310 -17.048 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -7.006 -16.284 -28.028 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -7.650 -16.915 -27.706 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -6.244 -16.815 -28.260 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -2.402 -16.467 -27.794 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -2.119 -17.261 -27.341 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -1.662 -16.234 -28.355 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -6.095 -19.510 -28.201 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 -6.363 -19.330 -27.300 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -6.301 -20.436 -28.332 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -3.398 -21.015 -13.253 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -2.653 -20.427 -13.373 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -4.155 -20.433 -13.190 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -10.298 -22.585 -25.631 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -10.757 -23.069 -24.945 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -10.043 -23.253 -26.267 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -9.227 -24.342 -27.368 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -9.407 -24.496 -28.296 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -8.276 -24.234 -27.324 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -2.943 -22.924 -11.354 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -3.224 -22.215 -11.932 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -2.000 -22.997 -11.505 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -0.679 -19.375 -9.462 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -1.545 -19.480 -9.068 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -0.303 -18.616 -9.015 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 -0.341 -22.574 -11.922 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 0.242 -23.308 -11.731 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 0.223 -21.802 -11.876 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 1.156 -24.671 -11.238 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 0.293 -25.050 -11.403 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 1.760 -25.410 -11.312 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -0.846 -25.643 -14.887 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -1.689 -25.375 -14.521 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -0.403 -24.821 -15.098 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 1.437 -31.663 -9.533 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 1.787 -32.317 -10.139 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 1.584 -30.826 -9.973 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 0.957 -29.554 -11.184 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 0.040 -29.283 -11.220 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 1.080 -30.089 -11.968 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 -0.042 -31.464 -13.365 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 -0.855 -31.139 -13.753 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 0.191 -32.224 -13.898 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -4.709 -15.116 -15.450 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -5.613 -14.951 -15.716 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -4.280 -14.263 -15.516 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -2.104 -13.546 -15.155 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -2.286 -12.630 -15.366 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -1.928 -13.956 -16.002 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -6.612 -30.015 -19.042 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -7.287 -30.644 -18.787 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -6.048 -30.499 -19.645 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -9.706 -31.454 -21.407 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -8.832 -31.066 -21.437 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -9.842 -31.669 -20.484 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -4.149 -31.424 -19.758 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -4.073 -31.329 -20.707 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -4.425 -32.332 -19.629 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -6.684 -14.425 -26.122 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -5.818 -14.059 -26.300 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -6.931 -14.865 -26.935 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 -0.757 -16.111 -11.292 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 -1.539 -16.297 -11.812 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 -0.829 -15.182 -11.075 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 -5.457 -14.926 -0.473 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 -4.837 -15.603 -0.746 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 -5.665 -15.144 0.435 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 0.778 -28.936 2.280 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 0.827 -28.326 3.016 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 1.204 -28.475 1.557 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 -4.744 -26.143 1.747 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 -4.601 -27.090 1.767 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 -4.850 -25.936 0.818 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -3.867 -27.911 -2.580 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -3.221 -28.240 -1.955 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -3.357 -27.393 -3.203 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 -9.813 -24.095 -1.003 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 -9.197 -24.621 -0.494 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 -10.399 -24.735 -1.407 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 1.170 -27.458 4.516 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 0.481 -26.800 4.421 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 1.185 -27.655 5.453 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 -5.410 -19.624 -3.363 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 -5.706 -19.946 -4.214 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 -5.734 -18.724 -3.321 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 -10.210 -21.448 3.381 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 -10.950 -20.850 3.484 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 -9.496 -20.894 3.065 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -2.103 -28.620 -0.599 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -2.318 -29.386 -0.067 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -1.447 -28.148 -0.086 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -11.802 -19.484 4.168 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -11.808 -18.605 3.790 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -12.656 -19.567 4.593 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -1.756 -29.905 3.080 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -2.492 -29.294 3.042 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -1.072 -29.490 2.554 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -6.486 -22.981 -4.954 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -7.198 -22.446 -5.305 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -5.795 -22.925 -5.614 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -3.080 -22.771 -4.002 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -3.812 -22.543 -3.429 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -2.633 -23.485 -3.547 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -3.183 -24.597 5.066 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -3.103 -23.834 5.638 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -3.784 -24.318 4.375 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 -10.068 -18.713 0.562 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -10.163 -19.291 -0.195 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -9.339 -19.084 1.058 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -11.068 -23.372 1.514 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -10.503 -23.251 0.751 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -10.749 -22.735 2.153 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -10.188 -18.973 6.231 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -10.500 -18.191 6.687 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -10.838 -19.126 5.545 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 -4.209 -23.609 -6.317 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 -3.630 -23.459 -5.570 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 -3.795 -23.138 -7.040 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 -6.483 -16.872 -2.882 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 -6.009 -16.577 -2.104 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 -7.046 -16.134 -3.115 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 0.679 -17.493 -8.127 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 0.752 -16.554 -7.957 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 1.584 -17.798 -8.184 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 1.596 -17.262 6.851 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 1.547 -18.217 6.814 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 0.770 -16.994 7.253 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 -7.011 -13.916 -4.467 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 -7.086 -14.037 -5.413 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 -6.978 -12.966 -4.348 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 -4.240 -14.836 -4.715 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 -5.175 -14.736 -4.536 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 -3.960 -15.545 -4.137 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -1.252 -25.769 7.331 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -1.659 -25.288 6.611 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -1.211 -26.674 7.024 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -3.495 -27.437 5.552 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -4.009 -27.563 6.349 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -3.650 -26.525 5.307 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -2.732 -22.576 -8.687 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -2.690 -22.799 -9.617 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 -1.883 -22.178 -8.497 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 -5.860 -25.312 -3.852 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -6.269 -24.497 -4.144 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 -5.140 -25.452 -4.467 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -6.758 -25.137 7.636 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -7.321 -25.841 7.956 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -5.932 -25.257 8.103 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -4.856 -25.866 -1.038 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -5.051 -25.261 -1.753 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -4.674 -26.700 -1.473 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -4.409 -29.066 1.681 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -5.086 -28.935 2.345 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -4.895 -29.221 0.871 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -1.122 -13.394 7.958 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 -0.922 -12.970 7.123 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 -0.466 -13.051 8.565 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 -7.494 -25.513 0.304 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 -6.930 -26.060 -0.243 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 -7.642 -26.035 1.093 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -8.868 -27.125 2.718 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -9.703 -26.671 2.828 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -8.344 -26.849 3.470 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -3.708 -26.231 -5.737 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -2.816 -26.368 -5.418 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -3.651 -25.440 -6.274 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 -6.198 -19.453 -6.572 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 -6.493 -18.627 -6.190 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 -6.901 -20.073 -6.376 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 -9.174 -23.639 7.700 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 -9.470 -23.805 6.805 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 -8.243 -23.859 7.690 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 1.177 -26.021 -6.043 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 0.623 -26.417 -6.715 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 1.278 -25.111 -6.320 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 1.141 -20.221 6.794 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 0.289 -19.983 6.427 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 1.731 -20.238 6.041 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 -0.527 -17.235 -5.578 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 -0.900 -18.061 -5.268 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 -0.250 -17.418 -6.475 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 -9.397 -20.436 -2.847 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 -9.638 -19.511 -2.805 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 -10.137 -20.895 -2.451 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 -8.882 -16.287 3.468 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 -8.519 -15.432 3.235 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 -8.350 -16.579 4.209 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 -3.135 -19.259 -7.757 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 -2.782 -19.639 -6.953 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 -4.084 -19.352 -7.671 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 -2.679 -15.636 5.638 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 -3.281 -16.191 5.143 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 -2.398 -14.969 5.012 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 1.369 -14.779 -7.556 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 2.112 -14.193 -7.696 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 0.674 -14.211 -7.223 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 -2.269 -20.586 -5.531 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 -2.546 -21.314 -4.975 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 -1.342 -20.467 -5.325 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -5.822 -28.662 3.935 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -5.124 -28.588 4.585 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -6.203 -29.526 4.090 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -7.369 -16.879 -6.105 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -8.186 -16.382 -6.052 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -6.840 -16.404 -6.745 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -7.302 -26.296 5.052 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -7.183 -25.722 5.809 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -6.647 -26.984 5.167 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -1.098 -28.389 5.887 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -2.014 -28.126 5.799 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -0.762 -28.392 4.990 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 -1.409 -15.382 1.605 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 -1.565 -14.704 0.948 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 -0.477 -15.310 1.808 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 -9.133 -20.931 8.220 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 -9.461 -20.660 7.362 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 -8.981 -21.872 8.132 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 -5.989 -22.221 8.859 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 -5.036 -22.137 8.831 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 -6.149 -22.932 9.478 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 0.163 -21.987 -9.067 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 -0.110 -22.412 -9.880 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 0.203 -21.056 -9.284 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 -8.675 -23.528 4.396 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 -7.924 -23.684 3.823 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 -9.014 -22.676 4.120 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 -4.259 -25.713 9.424 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 -4.067 -26.644 9.313 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 -3.402 -25.288 9.414 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 0.870 -15.165 4.756 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 0.383 -15.900 4.385 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 1.419 -15.558 5.434 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 -0.679 -19.375 9.394 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 -1.545 -19.480 9.788 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 -0.303 -18.616 9.841 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 0.622 -21.118 -5.092 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 1.472 -20.697 -4.964 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 0.627 -21.858 -4.484 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 1.284 -23.164 -6.877 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 0.763 -22.807 -7.596 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 1.251 -22.489 -6.199 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 -0.367 -25.924 -8.326 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 -0.270 -25.257 -9.006 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 -0.507 -26.740 -8.808 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 -0.341 -22.574 6.934 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 0.242 -23.308 7.125 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 0.223 -21.802 6.980 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 1.156 -24.671 7.618 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 0.293 -25.050 7.453 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 1.760 -25.410 7.544 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 -1.119 -28.516 -9.209 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 -0.509 -28.888 -8.572 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 -1.956 -28.938 -9.013 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 -1.487 -26.961 -4.243 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 -1.207 -27.868 -4.118 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 -0.728 -26.527 -4.632 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 -0.875 -26.380 1.193 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 0.058 -26.168 1.159 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 -1.110 -26.278 2.116 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 -0.846 -25.643 3.969 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 -1.689 -25.375 4.335 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 -0.403 -24.821 3.758 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 -0.873 -29.698 -4.194 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 -0.691 -30.147 -3.369 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 -1.473 -30.283 -4.658 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 0.993 -29.631 -7.666 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 1.406 -30.352 -8.142 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 1.675 -28.961 -7.608 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 -1.955 -14.642 -2.594 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 -1.302 -14.989 -3.202 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 -1.444 -14.153 -1.948 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 -7.305 -15.339 7.167 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 -7.120 -15.673 8.045 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 -6.458 -15.030 6.845 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 -4.960 -14.054 6.411 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 -4.283 -14.686 6.171 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 -4.638 -13.652 7.219 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 -7.036 -13.994 2.461 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 -7.493 -13.465 1.807 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 -6.873 -13.391 3.186 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 -4.709 -15.116 3.406 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 -5.613 -14.951 3.140 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 -4.280 -14.263 3.340 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 -2.104 -13.546 3.701 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 -2.286 -12.630 3.490 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 -1.928 -13.956 2.854 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -10.121 -15.679 0.669 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -9.908 -16.567 0.382 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -10.056 -15.713 1.624 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 -1.470 -31.908 -0.074 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 -0.866 -31.360 -0.575 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 -2.339 -31.588 -0.314 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 0.257 -30.769 -1.740 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 0.869 -31.283 -2.267 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 0.640 -29.891 -1.717 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 0.025 -14.862 -4.586 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 -0.169 -15.610 -5.151 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 -0.014 -14.104 -5.170 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 -0.757 -16.111 7.564 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 -1.539 -16.297 7.044 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 -0.829 -15.182 7.781 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 -6.432 -24.523 10.941 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 -5.731 -24.501 11.592 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 -6.130 -25.151 10.285 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 -4.209 -23.609 12.539 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 -3.630 -23.459 13.286 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 -3.795 -23.138 11.816 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 0.679 -17.493 10.729 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 0.752 -16.554 10.899 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 1.584 -17.798 10.672 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 -3.909 -14.762 11.392 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 -3.534 -15.506 10.921 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 -3.905 -15.032 12.310 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 -2.732 -22.576 10.169 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 -2.690 -22.799 9.239 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 -1.883 -22.178 10.359 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 -6.198 -19.453 12.284 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 -6.493 -18.627 12.666 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 -6.901 -20.073 12.480 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 -3.135 -19.259 11.099 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 -2.782 -19.639 11.903 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 -4.084 -19.352 11.185 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 -2.269 -20.586 13.325 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 -2.546 -21.314 13.881 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 -1.342 -20.467 13.531 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 -9.044 -18.147 9.546 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 -8.805 -18.895 8.998 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 -9.313 -18.535 10.378 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 -7.006 -16.284 9.684 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 -7.650 -16.915 10.006 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 -6.244 -16.815 9.452 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 -2.402 -16.467 9.918 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 -2.119 -17.261 10.371 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 -1.662 -16.234 9.357 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 -6.095 -19.510 9.511 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 -6.363 -19.330 10.412 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 -6.301 -20.436 9.380 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 0.163 -21.987 9.789 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 -0.110 -22.412 8.976 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 0.203 -21.056 9.572 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 1.437 -12.807 -28.389 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 1.787 -13.461 -28.995 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 1.584 -11.970 -28.829 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 0.957 -10.698 -30.040 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 0.040 -10.427 -30.076 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 1.080 -11.233 -30.824 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 -3.933 -13.328 -28.841 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 -3.857 -13.754 -27.987 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 -3.040 -13.314 -29.183 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 0.778 -10.080 -16.576 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 0.827 -9.470 -15.840 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 1.204 -9.619 -17.299 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 -3.867 -9.055 -21.436 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 -3.221 -9.384 -20.811 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 -3.357 -8.537 -22.059 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 1.170 -8.602 -14.340 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 0.481 -7.944 -14.435 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 1.185 -8.799 -13.403 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 -2.103 -9.764 -19.455 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 -2.318 -10.530 -18.923 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 -1.447 -9.292 -18.942 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 -1.756 -11.049 -15.776 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 -2.492 -10.438 -15.814 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 -1.072 -10.634 -16.302 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 -0.511 -13.003 -25.360 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 -1.410 -12.864 -25.065 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 -0.259 -12.172 -25.762 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 -3.708 -7.375 -24.593 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 -2.816 -7.512 -24.274 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 -3.651 -6.584 -25.130 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 1.177 -7.165 -24.899 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 0.623 -7.561 -25.571 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 1.278 -6.255 -25.176 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 -5.038 -10.154 -23.824 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 -4.818 -9.682 -24.627 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 -4.480 -9.759 -23.153 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 -1.098 -9.533 -12.969 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 -2.014 -9.270 -13.057 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 -0.762 -9.536 -13.866 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 -2.496 -5.782 -18.873 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 -3.293 -6.197 -19.202 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 -2.051 -6.473 -18.382 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 1.016 -4.209 -22.124 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 0.290 -4.688 -21.726 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 1.597 -4.003 -21.392 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 1.284 -4.308 -25.733 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 0.763 -3.951 -26.452 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 1.251 -3.633 -25.055 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 -0.367 -7.068 -27.182 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 -0.270 -6.401 -27.862 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 -0.507 -7.884 -27.664 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 -1.197 -5.688 -21.561 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 -1.347 -6.633 -21.581 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 -1.551 -5.407 -20.717 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 -1.119 -9.660 -28.065 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 -0.509 -10.032 -27.428 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 -1.956 -10.082 -27.869 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 -1.487 -8.105 -23.099 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 -1.207 -9.012 -22.974 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 -0.728 -7.671 -23.488 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 -0.875 -7.524 -17.663 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 0.058 -7.312 -17.697 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 -1.110 -7.422 -16.740 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 1.437 -12.807 -9.533 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 1.787 -13.461 -10.139 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 1.584 -11.970 -9.973 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 0.957 -10.698 -11.184 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 0.040 -10.427 -11.220 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 1.080 -11.233 -11.968 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 0.993 -10.775 -26.522 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 1.406 -11.496 -26.998 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 1.675 -10.105 -26.464 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 -0.042 -12.608 -13.365 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 -0.855 -12.283 -13.753 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 0.191 -13.368 -13.898 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 -1.470 -13.052 -18.930 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 -0.866 -12.504 -19.431 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 -2.339 -12.732 -19.170 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 -4.149 -12.568 -19.758 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 -4.073 -12.473 -20.707 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 -4.425 -13.476 -19.629 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 -2.796 -12.542 -24.065 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 -3.499 -11.928 -24.275 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 -3.241 -13.380 -23.934 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 0.778 -10.080 2.280 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 0.827 -9.470 3.016 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 1.204 -9.619 1.557 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 1.170 -8.602 4.516 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 0.481 -7.944 4.421 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 1.185 -8.799 5.453 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 -2.103 -9.764 -0.599 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 -2.318 -10.530 -0.067 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 -1.447 -9.292 -0.086 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 -1.756 -11.049 3.080 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 -2.492 -10.438 3.042 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 -1.072 -10.634 2.554 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 -0.511 -13.003 -6.504 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 -1.410 -12.864 -6.209 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 -0.259 -12.172 -6.906 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 -6.821 -12.337 4.698 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 -6.401 -12.752 5.451 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 -7.754 -12.515 4.815 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 -0.875 -7.524 1.193 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 0.058 -7.312 1.159 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 -1.110 -7.422 2.116 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 -0.873 -10.842 -4.194 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 -0.691 -11.291 -3.369 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 -1.473 -11.427 -4.658 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 0.993 -10.775 -7.666 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 1.406 -11.496 -8.142 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 1.675 -10.105 -7.608 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 -0.042 -12.608 5.491 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 -0.855 -12.283 5.103 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 0.191 -13.368 4.958 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 -1.470 -13.052 -0.074 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 -0.866 -12.504 -0.575 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 -2.339 -12.732 -0.314 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 -4.149 -12.568 -0.902 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 -4.073 -12.473 -1.851 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 -4.425 -13.476 -0.773 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 -3.933 -13.328 8.871 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 -3.857 -13.754 9.725 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 -3.040 -13.314 8.529 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 5.874 -37.761 -36.571 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 5.504 -38.563 -36.940 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 6.815 -37.930 -36.524 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 13.399 -33.782 -38.185 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 14.019 -34.459 -38.458 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 13.191 -34.000 -37.277 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 8.646 -40.304 -34.331 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 7.906 -39.706 -34.228 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 9.360 -39.750 -34.647 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 7.054 -38.340 -33.544 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 7.048 -37.461 -33.922 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 6.200 -38.423 -33.119 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 8.788 -37.569 -37.150 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 8.693 -38.147 -37.907 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 9.517 -37.940 -36.654 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 14.097 -36.725 -35.464 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 13.856 -36.063 -34.816 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 13.899 -37.559 -35.039 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 5.588 -41.631 -32.252 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 5.658 -40.980 -31.554 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 4.697 -41.528 -32.587 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 2.504 -39.564 -33.427 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 2.003 -39.592 -34.242 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 2.510 -40.470 -33.117 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 2.255 -36.784 -36.543 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 3.201 -36.928 -36.562 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 2.142 -36.000 -36.006 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 20.452 -36.118 -30.861 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 20.403 -37.073 -30.898 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 19.626 -35.850 -30.459 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 5.499 -33.983 -40.398 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 5.651 -34.331 -39.519 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 4.648 -34.339 -40.653 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 4.753 -38.241 -32.384 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 4.970 -38.602 -31.524 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 3.898 -38.615 -32.594 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 12.098 -43.993 -30.076 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 11.535 -44.697 -29.756 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 12.924 -44.113 -29.609 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 12.052 -39.584 -32.072 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 11.706 -39.965 -31.266 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 11.852 -38.650 -32.001 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 2.665 -42.012 -32.225 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 2.888 -42.430 -31.393 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 2.063 -42.625 -32.647 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 9.682 -42.495 -30.012 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 9.386 -42.661 -30.907 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 10.613 -42.715 -30.022 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 14.302 -37.122 -32.122 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 13.401 -36.939 -32.390 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 14.336 -36.863 -31.201 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 9.974 -35.143 -34.244 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 10.337 -34.288 -34.477 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 10.506 -35.435 -33.503 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 13.518 -39.044 -34.543 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 13.092 -39.271 -33.717 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 14.099 -39.782 -34.726 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 16.177 -34.492 -32.074 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 15.575 -35.047 -32.569 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 16.458 -33.825 -32.700 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 17.447 -34.238 -36.107 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 17.291 -33.560 -36.764 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 18.379 -34.166 -35.904 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 14.335 -36.268 -29.530 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 13.984 -37.124 -29.287 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 15.061 -36.125 -28.923 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 3.068 -39.757 -28.925 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 3.212 -40.659 -29.211 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 2.295 -39.471 -29.413 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 3.900 -42.557 -29.505 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 4.308 -43.414 -29.626 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 3.640 -42.542 -28.584 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 7.847 -43.548 -32.131 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 7.229 -42.873 -31.850 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 8.191 -43.227 -32.964 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 12.867 -41.077 -28.853 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 13.820 -40.993 -28.881 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 12.707 -41.788 -28.234 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 10.181 -42.384 -33.316 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 10.932 -42.540 -33.889 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 9.842 -41.532 -33.592 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 6.665 -44.995 -29.137 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 5.898 -45.527 -29.347 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 7.344 -45.305 -29.736 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 10.669 -46.045 -29.561 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 10.433 -46.265 -28.659 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 9.886 -46.252 -30.070 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 2.614 -34.397 -38.858 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 2.280 -35.278 -38.686 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 2.836 -34.052 -37.994 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 19.726 -34.021 -32.956 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 19.239 -34.756 -33.327 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 20.275 -34.414 -32.278 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 18.177 -38.231 -28.318 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 17.311 -38.336 -27.924 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 18.553 -37.472 -27.871 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 18.118 -36.258 -33.725 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 17.470 -35.933 -33.100 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 17.600 -36.698 -34.400 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 11.820 -32.850 -35.251 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 11.363 -32.321 -35.905 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 11.983 -32.247 -34.526 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 14.147 -33.972 -34.306 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 13.243 -33.807 -34.572 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 14.576 -33.119 -34.372 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 16.752 -32.402 -34.011 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 16.570 -31.486 -34.222 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 16.928 -32.812 -34.858 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 4.057 -33.715 -36.546 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 4.038 -34.140 -35.689 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 4.862 -34.033 -36.955 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 6.198 -35.005 -37.891 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 5.979 -35.921 -37.722 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 7.022 -34.865 -37.425 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 8.735 -34.535 -37.043 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 8.948 -35.423 -37.330 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 8.800 -34.569 -36.088 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 18.099 -34.967 -30.148 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 17.317 -35.153 -30.668 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 18.027 -34.038 -29.931 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 13.649 -41.081 -21.262 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 13.738 -40.137 -21.394 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 13.010 -41.356 -21.920 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 12.582 -41.826 -17.843 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 12.544 -42.472 -17.138 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 12.259 -42.292 -18.614 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 2.484 -44.101 -22.322 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 2.036 -43.255 -22.340 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 1.923 -44.681 -22.837 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 3.194 -41.939 -20.196 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 3.408 -42.709 -19.669 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 3.932 -41.850 -20.799 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 14.112 -44.999 -17.109 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 14.255 -45.946 -17.089 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 14.006 -44.792 -18.038 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 3.887 -44.501 -19.075 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 4.541 -45.051 -18.643 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 3.911 -44.775 -19.991 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 9.043 -42.951 -19.859 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 9.659 -43.477 -19.350 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 8.457 -43.591 -20.263 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 5.671 -46.088 -17.810 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 6.284 -45.455 -17.437 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 6.183 -46.560 -18.467 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 16.211 -37.365 -22.059 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 15.954 -38.055 -22.671 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 16.282 -37.808 -21.214 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 17.897 -38.799 -13.582 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 18.037 -39.390 -14.321 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 18.065 -37.926 -13.938 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 12.370 -41.837 -23.810 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 11.658 -41.302 -24.161 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 13.061 -41.781 -24.470 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 12.424 -43.379 -26.771 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 13.125 -43.357 -26.120 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 12.726 -44.007 -27.427 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 19.739 -42.459 -15.516 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 19.087 -41.764 -15.427 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 20.204 -42.249 -16.326 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 15.776 -41.627 -22.858 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 15.044 -41.399 -22.285 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 16.223 -42.341 -22.403 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 15.673 -43.453 -13.790 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 15.753 -42.690 -13.218 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 15.072 -43.174 -14.481 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 7.421 -40.997 -20.975 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 7.091 -41.367 -21.794 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 8.009 -41.667 -20.629 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 7.788 -42.228 -17.342 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 8.353 -42.107 -18.105 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 8.107 -41.591 -16.703 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 14.647 -42.465 -25.173 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 15.226 -42.315 -24.426 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 15.061 -41.994 -25.896 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 19.535 -36.349 -26.983 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 19.608 -35.410 -26.813 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 20.440 -36.654 -27.040 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 2.504 -39.564 -14.571 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 2.003 -39.592 -15.386 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 2.510 -40.470 -14.261 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 17.604 -44.625 -11.525 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 17.197 -44.144 -12.245 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 17.645 -45.530 -11.832 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 7.463 -44.805 -16.437 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 6.821 -44.846 -15.728 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 7.500 -43.879 -16.675 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 7.460 -44.584 -21.525 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 6.567 -44.925 -21.584 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 7.911 -44.961 -22.281 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 12.996 -44.168 -22.708 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 12.587 -43.353 -23.000 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 13.716 -44.308 -23.323 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 12.098 -43.993 -11.220 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 11.535 -44.697 -10.900 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 12.924 -44.113 -10.753 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 14.000 -44.722 -19.894 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 13.805 -44.117 -20.609 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 14.182 -45.556 -20.329 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 5.213 -44.485 -14.570 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 5.175 -44.085 -13.702 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 4.722 -45.302 -14.480 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 8.579 -47.111 -27.772 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 8.148 -47.556 -27.042 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 7.861 -46.739 -28.284 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 13.264 -43.084 -15.223 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 13.588 -43.715 -15.866 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 12.824 -43.619 -14.562 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 4.870 -45.528 -21.612 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 3.981 -45.428 -21.952 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 5.166 -46.370 -21.958 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 8.523 -45.528 -23.956 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 9.455 -45.399 -23.778 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 8.308 -44.858 -24.605 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 7.197 -44.333 -26.389 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 6.655 -44.713 -27.080 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 8.031 -44.139 -26.818 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 5.332 -39.776 -11.290 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 6.065 -39.522 -10.729 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 4.552 -39.572 -10.775 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 11.362 -44.369 -18.552 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 11.926 -44.916 -19.099 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 11.214 -44.891 -17.763 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 17.682 -40.635 -15.667 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 18.324 -40.178 -16.210 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 16.852 -40.522 -16.129 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 2.665 -42.012 -13.369 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 2.888 -42.430 -12.537 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 2.063 -42.625 -13.791 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 9.682 -42.495 -11.156 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 9.386 -42.661 -12.051 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 10.613 -42.715 -11.166 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 19.997 -39.077 -12.062 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 19.145 -38.839 -12.429 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 20.587 -39.094 -12.815 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 18.329 -36.091 -24.434 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 17.956 -36.917 -24.124 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 18.606 -36.274 -25.331 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 15.489 -41.283 -17.412 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 14.561 -41.515 -17.439 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 15.940 -42.060 -17.742 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 3.787 -42.093 -26.692 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 4.403 -41.466 -26.313 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 2.925 -41.777 -26.421 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 15.721 -38.115 -26.613 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 16.074 -38.495 -25.809 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 14.772 -38.208 -26.527 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 20.225 -33.635 -26.412 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 20.968 -33.049 -26.552 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 19.530 -33.067 -26.079 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 16.587 -39.442 -24.387 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 16.310 -40.170 -23.831 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 17.514 -39.323 -24.181 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 11.018 -46.138 -22.989 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 11.830 -45.634 -22.943 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 10.773 -46.283 -22.075 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 11.554 -45.152 -13.804 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 11.673 -44.578 -13.047 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 12.209 -45.840 -13.689 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 7.559 -47.994 -25.363 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 7.476 -47.105 -25.017 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 8.449 -48.259 -25.132 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 16.360 -43.494 -18.873 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 15.563 -43.909 -19.202 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 16.805 -44.185 -18.382 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 4.134 -44.902 -27.187 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 4.089 -43.963 -27.008 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 3.246 -45.138 -27.457 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 16.454 -35.323 -27.794 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 16.737 -36.117 -27.341 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 17.194 -35.090 -28.355 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 3.068 -39.757 -10.069 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 3.212 -40.659 -10.355 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 2.295 -39.471 -10.557 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 12.761 -38.366 -28.201 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 12.493 -38.186 -27.300 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 12.555 -39.292 -28.332 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 3.900 -42.557 -10.649 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 4.308 -43.414 -10.770 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 3.640 -42.542 -9.728 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 7.847 -43.548 -13.275 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 7.229 -42.873 -12.994 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 8.191 -43.227 -14.108 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 9.629 -43.198 -27.368 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 9.449 -43.352 -28.296 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 10.580 -43.090 -27.324 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 10.181 -42.384 -14.460 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 10.932 -42.540 -15.033 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 9.842 -41.532 -14.736 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 14.597 -44.569 -9.432 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 14.789 -45.500 -9.543 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 15.454 -44.144 -9.442 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 15.913 -41.780 -11.354 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 15.632 -41.071 -11.932 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 16.856 -41.853 -11.505 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 10.669 -46.045 -10.705 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 10.433 -46.265 -9.803 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 9.886 -46.252 -11.214 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 20.163 -33.588 -17.022 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 20.141 -33.403 -16.083 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 20.853 -33.019 -17.363 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 19.478 -39.974 -23.948 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 20.328 -39.553 -23.820 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 19.483 -40.714 -23.340 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 19.631 -39.136 -17.176 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 20.465 -39.514 -17.457 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 19.743 -38.193 -17.295 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 2.694 -41.322 -17.551 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 2.878 -41.404 -18.486 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 3.543 -41.446 -17.127 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 18.515 -41.430 -11.922 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 19.098 -42.164 -11.731 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 19.079 -40.658 -11.876 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 20.012 -43.527 -11.238 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 19.149 -43.906 -11.403 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 20.616 -44.266 -11.312 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 18.010 -44.499 -14.887 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 17.167 -44.231 -14.521 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 18.453 -43.677 -15.098 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 1.817 -44.740 -17.450 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 2.309 -44.961 -18.240 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 2.179 -43.899 -17.169 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 18.881 -33.718 -23.442 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 18.687 -34.466 -24.007 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 18.842 -32.960 -24.026 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 13.649 -41.081 -2.406 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 13.738 -40.137 -2.538 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 13.010 -41.356 -3.064 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 16.288 -38.887 -0.685 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 15.847 -39.607 -0.235 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 16.275 -38.166 -0.055 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 5.874 -37.761 1.141 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 5.504 -38.563 0.772 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 6.815 -37.930 1.188 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 10.971 -39.393 1.419 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 11.275 -40.079 0.825 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 11.693 -39.275 2.037 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 3.175 -38.669 -5.050 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 2.903 -38.440 -5.939 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 3.220 -37.831 -4.590 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 17.897 -38.799 5.274 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 18.037 -39.390 4.535 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 18.065 -37.926 4.918 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 12.370 -41.837 -4.954 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 11.658 -41.302 -5.305 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 13.061 -41.781 -5.614 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 12.424 -43.379 -7.915 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 13.125 -43.357 -7.264 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 12.726 -44.007 -8.571 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 19.739 -42.459 3.340 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 19.087 -41.764 3.429 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 20.204 -42.249 2.530 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 15.776 -41.627 -4.002 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 15.044 -41.399 -3.429 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 16.223 -42.341 -3.547 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 7.421 -40.997 -2.119 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 7.091 -41.367 -2.938 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 8.009 -41.667 -1.773 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 8.788 -37.569 0.562 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 8.693 -38.147 -0.195 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 9.517 -37.940 1.058 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 14.097 -36.725 2.248 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 13.856 -36.063 2.896 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 13.899 -37.559 2.673 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 14.647 -42.465 -6.317 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 15.226 -42.315 -5.570 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 15.061 -41.994 -7.040 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 20.452 -36.118 6.851 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 20.403 -37.073 6.814 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 19.626 -35.850 7.253 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 5.499 -33.983 -2.686 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 5.651 -34.331 -1.807 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 4.648 -34.339 -2.941 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 16.124 -41.432 -8.687 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 16.166 -41.655 -9.617 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 16.973 -41.034 -8.497 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 17.734 -32.250 7.958 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 17.934 -31.826 7.123 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 18.390 -31.907 8.565 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 10.532 -39.768 -5.597 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 9.788 -40.275 -5.920 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 10.398 -39.719 -4.651 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 17.682 -40.635 3.189 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 18.324 -40.178 2.646 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 16.852 -40.522 2.727 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 14.302 -37.122 5.590 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 13.401 -36.939 5.322 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 14.336 -36.863 6.511 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 19.997 -39.077 6.794 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 19.145 -38.839 6.427 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 20.587 -39.094 6.041 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 15.489 -41.283 1.444 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 14.561 -41.515 1.417 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 15.940 -42.060 1.114 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 8.032 -36.955 -2.423 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 8.559 -36.182 -2.624 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 7.152 -36.730 -2.725 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 9.459 -39.292 -2.847 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 9.218 -38.367 -2.805 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 8.719 -39.751 -2.451 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 9.974 -35.143 3.468 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 10.337 -34.288 3.235 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 10.506 -35.435 4.209 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 13.518 -39.044 3.169 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 13.092 -39.271 3.995 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 14.099 -39.782 2.986 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 16.177 -34.492 5.638 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 15.575 -35.047 5.143 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 16.458 -33.825 5.012 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 5.202 -40.180 -6.344 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 4.516 -39.828 -5.777 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 5.725 -39.417 -6.590 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 5.818 -37.566 -7.447 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 6.410 -36.867 -7.171 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 6.277 -37.999 -8.166 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 3.872 -36.180 -3.497 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 3.040 -35.707 -3.470 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 4.418 -35.670 -4.096 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 8.558 -41.441 -6.775 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 8.099 -41.925 -6.089 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 8.813 -42.109 -7.411 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 9.629 -43.198 -8.512 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 9.449 -43.352 -9.440 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 10.580 -43.090 -8.468 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 19.019 -40.843 -9.067 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 18.746 -41.268 -9.880 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 19.059 -39.912 -9.284 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 3.095 -37.871 -8.028 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 4.009 -37.792 -7.755 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 3.102 -38.558 -8.695 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 1.744 -32.478 -2.951 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 1.097 -32.940 -3.484 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 2.099 -33.150 -2.368 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 19.872 -41.921 -3.268 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 19.146 -42.400 -2.870 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 20.453 -41.715 -2.536 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 19.631 -39.136 1.680 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 20.465 -39.514 1.399 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 19.743 -38.193 1.561 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 20.140 -42.020 -6.877 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 19.619 -41.663 -7.596 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 20.107 -41.345 -6.199 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 17.659 -43.400 -2.705 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 17.509 -44.345 -2.725 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 17.305 -43.119 -1.861 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 13.896 -32.910 6.411 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 14.573 -33.542 6.171 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 14.218 -32.508 7.219 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 7.109 -32.738 3.285 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 6.244 -32.666 3.689 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 7.054 -32.191 2.501 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 11.820 -32.850 2.461 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 11.363 -32.321 1.807 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 11.983 -32.247 3.186 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 14.147 -33.972 3.406 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 13.243 -33.807 3.140 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 14.576 -33.119 3.340 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 6.198 -35.005 -0.179 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 5.979 -35.921 -0.010 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 7.022 -34.865 0.287 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 8.735 -34.535 0.669 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 8.948 -35.423 0.382 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 8.800 -34.569 1.624 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 3.308 -34.491 -5.663 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 2.623 -34.529 -6.331 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 3.311 -33.578 -5.375 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 5.126 -33.571 -8.638 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 4.858 -33.284 -7.765 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 5.897 -34.117 -8.486 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 18.099 -34.967 7.564 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 17.317 -35.153 7.044 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 18.027 -34.038 7.781 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 20.225 -33.635 11.300 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 20.968 -33.049 11.160 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 19.530 -33.067 11.633 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 16.288 -20.031 -57.253 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 15.847 -20.751 -56.803 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 16.275 -19.310 -56.623 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 13.399 -14.926 -57.041 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 14.019 -15.603 -57.314 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 13.191 -15.144 -56.133 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 16.800 -18.191 -54.905 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 15.858 -18.133 -54.744 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 17.076 -17.285 -55.042 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 15.052 -16.410 -58.280 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 15.477 -17.117 -58.765 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 15.369 -15.609 -58.697 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 16.211 -18.509 -59.771 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 15.954 -19.199 -60.383 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 16.282 -18.952 -58.926 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 17.897 -19.943 -51.294 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 18.037 -20.534 -52.033 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 18.065 -19.070 -51.650 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 14.097 -17.869 -54.320 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 13.856 -17.207 -53.672 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 13.899 -18.703 -53.895 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 12.373 -16.872 -59.450 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 12.847 -16.577 -58.672 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 11.810 -16.134 -59.683 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 20.452 -17.262 -49.717 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 20.403 -18.217 -49.754 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 19.626 -16.994 -49.315 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 14.616 -14.836 -61.283 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 13.681 -14.736 -61.104 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 14.896 -15.545 -60.705 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 17.682 -21.779 -53.379 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 18.324 -21.322 -53.922 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 16.852 -21.666 -53.841 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 14.302 -18.266 -50.978 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 13.401 -18.083 -51.246 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 14.336 -18.007 -50.057 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 19.997 -20.221 -49.774 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 19.145 -19.983 -50.141 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 20.587 -20.238 -50.527 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 13.518 -20.188 -53.399 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 13.092 -20.415 -52.573 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 14.099 -20.926 -53.582 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 16.177 -15.636 -50.930 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 15.575 -16.191 -51.425 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 16.458 -14.969 -51.556 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 14.335 -17.412 -48.386 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 13.984 -18.268 -48.143 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 15.061 -17.269 -47.779 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 18.177 -19.375 -47.174 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 17.311 -19.480 -46.780 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 18.553 -18.616 -46.727 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 19.631 -20.280 -54.888 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 20.465 -20.658 -55.169 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 19.743 -19.337 -55.007 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 16.901 -14.642 -59.162 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 17.554 -14.989 -59.770 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 17.412 -14.153 -58.516 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 13.896 -14.054 -50.157 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 14.573 -14.686 -50.397 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 14.218 -13.652 -49.349 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 11.820 -13.994 -54.107 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 11.363 -13.465 -54.761 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 11.983 -13.391 -53.382 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 14.147 -15.116 -53.162 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 13.243 -14.951 -53.428 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 14.576 -14.263 -53.228 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 18.881 -14.862 -61.154 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 18.687 -15.610 -61.719 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 18.842 -14.104 -61.738 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 18.099 -16.111 -49.004 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 17.317 -16.297 -49.524 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 18.027 -15.182 -48.787 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 13.649 -22.225 -40.118 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 13.738 -21.281 -40.250 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 13.010 -22.500 -40.776 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 4.950 -23.355 -35.106 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 4.992 -23.981 -34.382 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 5.653 -22.732 -34.924 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 5.874 -18.905 -36.571 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 5.504 -19.707 -36.940 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 6.815 -19.074 -36.524 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 19.634 -28.936 -35.432 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 19.683 -28.326 -34.696 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 20.060 -28.475 -36.155 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 14.112 -26.143 -35.965 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 14.255 -27.090 -35.945 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 14.006 -25.936 -36.894 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 7.267 -28.042 -38.693 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 7.310 -27.182 -39.111 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 6.809 -28.594 -39.326 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 3.887 -25.645 -37.931 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 4.541 -26.195 -37.499 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 3.911 -25.919 -38.847 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 9.043 -24.095 -38.715 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 9.659 -24.621 -38.206 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 8.457 -24.735 -39.119 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 20.026 -27.458 -33.196 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 19.337 -26.800 -33.291 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 20.041 -27.655 -32.259 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 16.753 -28.620 -38.311 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 16.538 -29.386 -37.779 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 17.409 -28.148 -37.798 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 5.671 -27.232 -36.666 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 6.284 -26.599 -36.293 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 6.183 -27.704 -37.323 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 17.100 -29.905 -34.632 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 16.364 -29.294 -34.670 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 17.784 -29.490 -35.158 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 10.103 -31.818 -37.166 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 9.986 -32.767 -37.220 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 9.248 -31.486 -36.893 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 12.370 -22.981 -42.666 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 11.658 -22.446 -43.017 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 13.061 -22.925 -43.326 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 19.739 -23.603 -34.372 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 19.087 -22.908 -34.283 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 20.204 -23.393 -35.182 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 15.776 -22.771 -41.714 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 15.044 -22.543 -41.141 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 16.223 -23.485 -41.259 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 7.421 -22.141 -39.831 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 7.091 -22.511 -40.650 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 8.009 -22.811 -39.485 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 8.788 -18.713 -37.150 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 8.693 -19.291 -37.907 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 9.517 -19.084 -36.654 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 7.788 -23.372 -36.198 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 8.353 -23.251 -36.961 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 8.107 -22.735 -35.559 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 19.535 -17.493 -45.839 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 19.608 -16.554 -45.669 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 20.440 -17.798 -45.896 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 2.504 -20.708 -33.427 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 2.003 -20.736 -34.242 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 2.510 -21.614 -33.117 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 2.255 -17.928 -36.543 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 3.201 -18.072 -36.562 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 2.142 -17.144 -36.006 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 11.845 -13.916 -42.179 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 11.770 -14.037 -43.125 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 11.878 -12.966 -42.060 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 5.499 -15.127 -40.398 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 5.651 -15.475 -39.519 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 4.648 -15.483 -40.653 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 14.947 -14.762 -45.176 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 15.322 -15.506 -45.647 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 14.951 -15.032 -44.258 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 7.372 -30.915 -36.388 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 6.511 -31.002 -36.796 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 7.350 -30.059 -35.961 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 7.463 -25.949 -35.293 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 6.821 -25.990 -34.584 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 7.500 -25.023 -35.531 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 14.000 -25.866 -38.750 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 13.805 -25.261 -39.465 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 14.182 -26.700 -39.185 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 1.821 -28.513 -39.576 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 2.452 -28.542 -38.856 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 2.271 -28.938 -40.306 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 10.042 -28.301 -39.295 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 9.131 -28.244 -39.006 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 10.547 -28.361 -38.484 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 4.870 -26.672 -40.468 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 3.981 -26.572 -40.808 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 5.166 -27.514 -40.814 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 14.447 -29.066 -36.031 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 13.770 -28.935 -35.367 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 13.961 -29.221 -36.841 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 17.734 -13.394 -29.754 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 17.934 -12.970 -30.589 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 18.390 -13.051 -29.147 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 11.362 -25.513 -37.408 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 11.926 -26.060 -37.955 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 11.214 -26.035 -36.619 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 10.532 -20.912 -43.309 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 9.788 -21.419 -43.632 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 10.398 -20.863 -42.363 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 5.657 -21.617 -37.540 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 6.402 -21.619 -38.141 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 5.735 -22.441 -37.058 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 12.658 -19.453 -44.284 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 12.363 -18.627 -43.902 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 11.955 -20.073 -44.088 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 18.329 -17.235 -43.290 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 17.956 -18.061 -42.980 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 18.606 -17.418 -44.187 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 8.032 -18.099 -40.135 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 8.559 -17.326 -40.336 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 7.152 -17.874 -40.437 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 9.459 -20.436 -40.559 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 9.218 -19.511 -40.517 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 8.719 -20.895 -40.163 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 8.143 -15.414 -41.014 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 7.193 -15.309 -40.962 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 8.494 -14.594 -40.669 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 15.721 -19.259 -45.469 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 16.074 -19.639 -44.665 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 14.772 -19.352 -45.383 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 16.587 -20.586 -43.243 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 16.310 -21.314 -42.687 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 17.514 -20.467 -43.037 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 3.950 -16.598 -34.232 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 4.167 -17.530 -34.263 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 4.197 -16.324 -33.348 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 8.749 -18.577 -44.566 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 8.896 -19.097 -43.776 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 8.746 -17.670 -44.260 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 11.487 -16.879 -43.817 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 10.670 -16.382 -43.764 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 12.016 -16.404 -44.457 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 8.825 -15.836 -43.835 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 8.986 -15.036 -44.336 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 8.628 -15.529 -42.950 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 16.360 -24.638 -37.729 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 15.563 -25.053 -38.058 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 16.805 -25.329 -37.238 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 4.942 -31.264 -37.370 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 4.713 -31.205 -38.297 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 4.499 -32.056 -37.063 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 3.161 -14.711 -29.879 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 3.701 -14.928 -29.120 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 2.680 -15.517 -30.069 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 11.850 -16.284 -46.884 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 11.206 -16.915 -46.562 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 12.612 -16.815 -47.116 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 16.454 -16.467 -46.650 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 16.737 -17.261 -46.197 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 17.194 -16.234 -47.211 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 12.761 -19.510 -47.057 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 12.493 -19.330 -46.156 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 12.555 -20.436 -47.188 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 9.527 -13.651 -45.223 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 10.460 -13.493 -45.079 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 9.263 -12.976 -45.848 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 19.478 -21.118 -42.804 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 20.328 -20.697 -42.676 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 19.483 -21.858 -42.196 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 19.872 -23.065 -40.980 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 19.146 -23.544 -40.582 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 20.453 -22.859 -40.248 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 17.659 -24.544 -40.417 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 17.509 -25.489 -40.437 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 17.305 -24.263 -39.573 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 2.694 -22.466 -36.407 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 2.878 -22.548 -37.342 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 3.543 -22.590 -35.983 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 20.012 -24.671 -30.094 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 19.149 -25.050 -30.259 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 20.616 -25.410 -30.168 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 17.981 -26.380 -36.519 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 18.914 -26.168 -36.553 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 17.746 -26.278 -35.596 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 18.010 -25.643 -33.743 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 17.167 -25.375 -33.377 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 18.453 -24.821 -33.954 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 20.293 -31.663 -28.389 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 20.643 -32.317 -28.995 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 20.440 -30.826 -28.829 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 3.513 -28.883 -37.375 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 3.958 -29.675 -37.073 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 3.979 -28.167 -36.944 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 1.817 -25.884 -36.306 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 2.309 -26.105 -37.096 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 2.179 -25.043 -36.025 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 19.813 -29.554 -30.040 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 18.896 -29.283 -30.076 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 19.936 -30.089 -30.824 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 18.814 -31.464 -32.221 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 18.001 -31.139 -32.609 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 19.047 -32.224 -32.754 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 4.642 -13.482 -33.457 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 3.922 -13.042 -33.908 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 4.276 -13.733 -32.608 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 4.057 -14.859 -36.546 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 4.038 -15.284 -35.689 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 4.862 -15.177 -36.955 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 6.198 -16.149 -37.891 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 5.979 -17.065 -37.722 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 7.022 -16.009 -37.425 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 12.244 -30.015 -37.898 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 11.569 -30.644 -37.643 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 12.808 -30.499 -38.501 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 17.386 -31.908 -37.786 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 17.990 -31.360 -38.287 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 16.517 -31.588 -38.026 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 4.570 -31.381 -40.076 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 3.793 -31.615 -40.584 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 5.101 -32.178 -40.068 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 14.707 -31.424 -38.614 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 14.783 -31.329 -39.563 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 14.431 -32.332 -38.485 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 12.172 -14.425 -44.978 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 13.038 -14.059 -45.156 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 11.925 -14.865 -45.791 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 18.099 -16.111 -30.148 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 17.317 -16.297 -30.668 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 18.027 -15.182 -29.931 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 18.345 -31.859 -25.360 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 17.446 -31.720 -25.065 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 18.597 -31.028 -25.762 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 19.535 -17.493 -26.983 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 19.608 -16.554 -26.813 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 20.440 -17.798 -27.040 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 20.452 -17.262 -12.005 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 20.403 -18.217 -12.042 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 19.626 -16.994 -11.603 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 14.947 -14.762 -26.320 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 15.322 -15.506 -26.791 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 14.951 -15.032 -25.402 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 2.665 -23.156 -13.369 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 2.888 -23.574 -12.537 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 2.063 -23.769 -13.791 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 20.033 -26.021 -24.899 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 19.479 -26.417 -25.571 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 20.134 -25.111 -25.176 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 20.225 -14.779 -26.412 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 20.968 -14.193 -26.552 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 19.530 -14.211 -26.079 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 17.447 -15.382 -17.251 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 17.291 -14.704 -17.908 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 18.379 -15.310 -17.048 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 3.161 -14.711 -11.023 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 3.701 -14.928 -10.264 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 2.680 -15.517 -11.213 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 11.850 -16.284 -28.028 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 11.206 -16.915 -27.706 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 12.612 -16.815 -28.260 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 20.163 -14.732 -17.022 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 20.141 -14.547 -16.083 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 20.853 -14.163 -17.363 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 19.726 -15.165 -14.100 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 19.239 -15.900 -14.471 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 20.275 -15.558 -13.422 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 18.177 -19.375 -9.462 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 17.311 -19.480 -9.068 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 18.553 -18.616 -9.015 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 19.478 -21.118 -23.948 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 20.328 -20.697 -23.820 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 19.483 -21.858 -23.340 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 19.872 -23.065 -22.124 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 19.146 -23.544 -21.726 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 20.453 -22.859 -21.392 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 20.140 -23.164 -25.733 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 19.619 -22.807 -26.452 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 20.107 -22.489 -25.055 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 18.489 -25.924 -27.182 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 18.586 -25.257 -27.862 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 18.349 -26.740 -27.664 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 19.849 -29.631 -26.522 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 20.262 -30.352 -26.998 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 20.531 -28.961 -26.464 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 16.901 -14.642 -21.450 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 17.554 -14.989 -22.058 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 17.412 -14.153 -20.804 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 16.752 -13.546 -15.155 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 16.570 -12.630 -15.366 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 16.928 -13.956 -16.002 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 18.881 -14.862 -23.442 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 18.687 -15.610 -24.007 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 18.842 -14.104 -24.026 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 20.026 -27.458 4.516 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 19.337 -26.800 4.421 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 20.041 -27.655 5.453 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 6.077 -29.124 3.093 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 5.858 -28.594 2.327 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 5.409 -28.897 3.741 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 16.800 -18.191 1.663 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 15.858 -18.133 1.824 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 17.076 -17.285 1.526 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 10.103 -31.818 0.546 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 9.986 -32.767 0.492 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 9.248 -31.486 0.819 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 19.739 -23.603 3.340 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 19.087 -22.908 3.429 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 20.204 -23.393 2.530 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 15.673 -24.597 5.066 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 15.753 -23.834 5.638 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 15.072 -24.318 4.375 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 14.097 -17.869 2.248 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 13.856 -17.207 2.896 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 13.899 -18.703 2.673 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 6.907 -16.901 6.995 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 6.915 -17.037 6.047 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 5.991 -17.019 7.247 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 19.535 -17.493 -8.127 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 19.608 -16.554 -7.957 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 20.440 -17.798 -8.184 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 2.504 -20.708 4.285 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 2.003 -20.736 3.470 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 2.510 -21.614 4.595 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 11.431 -17.688 5.727 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 11.518 -16.862 6.202 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 10.567 -18.018 5.976 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 17.604 -25.769 7.331 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 17.197 -25.288 6.611 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 17.645 -26.674 7.024 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 4.753 -19.385 5.328 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 4.970 -19.746 6.188 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 3.898 -19.759 5.118 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 7.372 -30.915 1.324 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 6.511 -31.002 0.916 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 7.350 -30.059 1.751 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 12.035 -31.193 4.698 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 12.455 -31.608 5.451 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 11.102 -31.371 4.815 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 15.361 -27.437 5.552 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 14.847 -27.563 6.349 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 15.206 -26.525 5.307 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 12.098 -25.137 7.636 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 11.535 -25.841 7.956 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 12.924 -25.257 8.103 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 3.096 -27.767 -6.440 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 3.570 -27.176 -7.025 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 2.378 -27.236 -6.093 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 13.264 -24.228 3.633 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 13.588 -24.859 2.990 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 12.824 -24.763 4.294 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 10.042 -28.301 -1.583 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 9.131 -28.244 -1.294 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 10.547 -28.361 -0.772 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 5.332 -20.920 7.566 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 6.065 -20.666 8.127 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 4.552 -20.716 8.081 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 9.988 -27.125 2.718 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 9.153 -26.671 2.828 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 10.512 -26.849 3.470 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 17.682 -21.779 3.189 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 18.324 -21.322 2.646 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 16.852 -21.666 2.727 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 12.052 -20.728 5.640 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 11.706 -21.109 6.446 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 11.852 -19.794 5.711 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 2.665 -23.156 5.487 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 2.888 -23.574 6.319 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 2.063 -23.769 5.065 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 9.682 -23.639 7.700 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 9.386 -23.805 6.805 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 10.613 -23.859 7.690 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 14.302 -18.266 5.590 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 13.401 -18.083 5.322 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 14.336 -18.007 6.511 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 13.518 -20.188 3.169 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 13.092 -20.415 3.995 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 14.099 -20.926 2.986 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 20.225 -14.779 -7.556 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 20.968 -14.193 -7.696 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 19.530 -14.211 -7.223 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 4.299 -28.403 5.045 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 3.406 -28.064 4.978 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 4.200 -29.258 5.463 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 13.034 -28.662 3.935 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 13.732 -28.588 4.585 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 12.653 -29.526 4.090 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 11.554 -26.296 5.052 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 11.673 -25.722 5.809 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 12.209 -26.984 5.167 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 17.758 -28.389 5.887 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 16.842 -28.126 5.799 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 18.094 -28.392 4.990 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 4.134 -26.046 -8.331 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 4.089 -25.107 -8.152 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 3.246 -26.282 -8.601 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 17.447 -15.382 1.605 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 17.291 -14.704 0.948 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 18.379 -15.310 1.808 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 4.942 -31.264 0.342 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 4.713 -31.205 -0.585 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 4.499 -32.056 0.649 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 3.161 -14.711 7.833 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 3.701 -14.928 8.592 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 2.680 -15.517 7.643 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 7.758 -15.792 9.453 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 8.526 -16.251 9.794 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 7.737 -16.018 8.523 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 3.068 -20.901 8.787 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 3.212 -21.803 8.501 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 2.295 -20.615 8.299 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 9.723 -20.931 8.220 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 9.395 -20.660 7.362 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 9.875 -21.872 8.132 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 15.458 -21.015 5.603 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 16.203 -20.427 5.483 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 14.701 -20.433 5.666 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 3.900 -23.701 8.207 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 4.308 -24.558 8.086 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 3.640 -23.686 9.128 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 12.867 -22.221 8.859 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 13.820 -22.137 8.831 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 12.707 -22.932 9.478 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 8.187 -27.337 6.664 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 8.337 -28.066 6.061 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 8.189 -26.560 6.105 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 8.599 -28.967 4.156 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 9.135 -28.516 3.504 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 7.747 -29.075 3.734 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 6.665 -26.139 8.575 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 5.898 -26.671 8.365 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 7.344 -26.449 7.976 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 10.669 -27.189 8.151 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 10.433 -27.409 9.053 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 9.886 -27.396 7.642 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 13.385 -28.062 7.227 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 12.437 -28.030 7.359 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 13.697 -28.687 7.881 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 4.846 -28.218 8.280 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 5.057 -28.925 7.669 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 4.734 -28.656 9.124 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 19.631 -20.280 1.680 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 20.465 -20.658 1.399 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 19.743 -19.337 1.561 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 20.012 -24.671 7.618 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 19.149 -25.050 7.453 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 20.616 -25.410 7.544 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 2.292 -27.195 7.446 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 3.211 -27.317 7.682 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 1.842 -27.945 7.835 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 20.293 -31.663 9.323 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 20.643 -32.317 8.717 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 20.440 -30.826 8.883 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 19.813 -29.554 7.672 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 18.896 -29.283 7.636 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 19.936 -30.089 6.888 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 2.130 -29.626 -4.539 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 1.205 -29.417 -4.669 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 2.584 -29.142 -5.229 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 2.094 -30.888 3.805 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 1.429 -31.134 4.448 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 1.651 -30.266 3.228 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 4.286 -17.713 7.949 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 3.465 -17.538 7.489 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 4.034 -17.786 8.870 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 11.551 -15.339 7.167 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 11.736 -15.673 8.045 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 12.398 -15.030 6.845 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 11.820 -13.994 2.461 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 11.363 -13.465 1.807 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 11.983 -13.391 3.186 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 14.147 -15.116 3.406 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 13.243 -14.951 3.140 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 14.576 -14.263 3.340 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 12.244 -30.015 -0.186 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 11.569 -30.644 0.069 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 12.808 -30.499 -0.789 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 4.570 -31.381 -2.364 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 3.793 -31.615 -2.872 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 5.101 -32.178 -2.356 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 3.407 -31.583 -6.561 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 3.846 -30.972 -7.152 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 2.773 -31.045 -6.087 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 18.881 -14.862 -4.586 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 18.687 -15.610 -5.151 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 18.842 -14.104 -5.170 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 9.812 -18.147 9.546 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 10.051 -18.895 8.998 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 9.543 -18.535 10.378 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 7.409 -20.557 9.775 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 7.473 -21.351 10.306 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 8.062 -20.676 9.086 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 12.761 -19.510 9.511 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 12.493 -19.330 10.412 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 12.555 -20.436 9.380 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 9.629 -24.342 10.344 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 9.449 -24.496 9.416 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 10.580 -24.234 10.388 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 14.112 -7.287 -54.821 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 14.255 -8.234 -54.801 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 14.006 -7.080 -55.750 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 14.989 -9.055 -59.148 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 15.635 -9.384 -58.523 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 15.499 -8.537 -59.771 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 16.753 -9.764 -57.167 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 16.538 -10.530 -56.635 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 17.409 -9.292 -56.654 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 10.103 -12.962 -56.022 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 9.986 -13.911 -56.076 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 9.248 -12.630 -55.749 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 17.897 -1.087 -51.294 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 18.037 -1.678 -52.033 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 18.065 -0.214 -51.650 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 19.739 -4.747 -53.228 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 19.087 -4.052 -53.139 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 20.204 -4.537 -54.038 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 15.673 -5.741 -51.502 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 15.753 -4.978 -50.930 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 15.072 -5.462 -52.193 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 20.452 1.594 -49.717 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 20.403 0.639 -49.754 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 19.626 1.862 -49.315 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 12.035 -12.337 -51.870 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 12.455 -12.752 -51.117 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 11.102 -12.515 -51.753 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 15.361 -8.581 -51.016 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 14.847 -8.707 -50.219 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 15.206 -7.669 -51.261 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 12.098 -6.281 -48.932 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 11.535 -6.985 -48.612 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 12.924 -6.401 -48.465 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 14.447 -10.210 -54.887 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 13.770 -10.079 -54.223 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 13.961 -10.365 -55.697 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 17.682 -2.923 -53.379 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 18.324 -2.466 -53.922 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 16.852 -2.810 -53.841 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 19.997 -1.365 -49.774 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 19.145 -1.127 -50.141 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 20.587 -1.382 -50.527 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 13.034 -9.806 -52.633 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 13.732 -9.732 -51.983 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 12.653 -10.670 -52.478 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 11.554 -7.440 -51.516 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 11.673 -6.866 -50.759 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 12.209 -8.128 -51.401 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 11.902 -11.345 -59.763 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 11.555 -10.727 -59.118 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 12.560 -10.844 -60.244 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 15.458 -2.159 -50.965 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 16.203 -1.571 -51.085 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 14.701 -1.577 -50.902 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 12.867 -3.365 -47.709 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 13.820 -3.281 -47.737 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 12.707 -4.076 -47.090 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 15.913 -4.068 -49.066 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 15.632 -3.359 -49.644 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 16.856 -4.141 -49.217 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 10.669 -8.333 -48.417 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 10.433 -8.553 -47.515 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 9.886 -8.540 -48.926 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 13.385 -9.206 -49.341 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 12.437 -9.174 -49.209 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 13.697 -9.831 -48.687 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 9.980 -11.678 -47.255 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 9.849 -12.154 -48.076 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 9.381 -10.934 -47.311 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 18.177 -0.519 -47.174 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 17.311 -0.624 -46.780 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 18.553 0.240 -46.727 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 17.981 -7.524 -55.375 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 18.914 -7.312 -55.409 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 17.746 -7.422 -54.452 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 18.010 -6.787 -52.599 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 17.167 -6.519 -52.233 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 18.453 -5.965 -52.810 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 17.983 -10.842 -60.762 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 18.165 -11.291 -59.937 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 17.383 -11.427 -61.226 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 12.244 -11.159 -56.754 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 11.569 -11.788 -56.499 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 12.808 -11.643 -57.357 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 19.113 -11.913 -58.308 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 19.725 -12.427 -58.835 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 19.496 -11.035 -58.285 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 14.707 -12.568 -57.470 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 14.783 -12.473 -58.419 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 14.431 -13.476 -57.341 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 16.060 -12.542 -61.777 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 15.357 -11.928 -61.987 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 15.615 -13.380 -61.646 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 14.923 -13.328 -47.697 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 14.999 -13.754 -46.843 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 15.816 -13.314 -48.039 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 12.582 -4.114 -36.699 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 12.544 -4.760 -35.994 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 12.259 -4.580 -37.470 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 16.288 -1.175 -38.397 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 15.847 -1.895 -37.947 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 16.275 -0.454 -37.767 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 10.971 -1.681 -36.293 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 11.275 -2.367 -36.887 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 11.693 -1.563 -35.675 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 14.112 -7.287 -35.965 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 14.255 -8.234 -35.945 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 14.006 -7.080 -36.894 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 9.043 -5.239 -38.715 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 9.659 -5.765 -38.206 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 8.457 -5.879 -39.119 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 20.026 -8.602 -33.196 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 19.337 -7.944 -33.291 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 20.041 -8.799 -32.259 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 6.077 -10.268 -34.619 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 5.858 -9.738 -35.385 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 5.409 -10.041 -33.971 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 13.446 -0.768 -41.075 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 13.150 -1.090 -41.926 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 13.122 0.132 -41.033 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 16.211 0.347 -40.915 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 15.954 -0.343 -41.527 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 16.282 -0.096 -40.070 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 12.424 -5.667 -45.627 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 13.125 -5.645 -44.976 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 12.726 -6.295 -46.283 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 19.739 -4.747 -34.372 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 19.087 -4.052 -34.283 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 20.204 -4.537 -35.182 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 19.535 1.363 -45.839 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 19.608 2.302 -45.669 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 20.440 1.058 -45.896 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 17.604 -6.913 -30.381 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 17.197 -6.432 -31.101 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 17.645 -7.818 -30.688 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 7.372 -12.059 -36.388 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 6.511 -12.146 -36.796 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 7.350 -11.203 -35.961 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 15.361 -8.581 -32.160 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 14.847 -8.707 -31.363 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 15.206 -7.669 -32.405 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 11.697 -9.844 -45.729 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 11.443 -9.825 -44.806 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 11.440 -10.716 -46.030 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 7.460 -6.872 -40.381 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 6.567 -7.213 -40.440 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 7.911 -7.249 -41.137 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 12.098 -6.281 -30.076 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 11.535 -6.985 -29.756 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 12.924 -6.401 -29.609 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 13.264 -5.372 -34.079 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 13.588 -6.003 -34.722 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 12.824 -5.907 -33.418 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 10.042 -9.445 -39.295 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 9.131 -9.388 -39.006 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 10.547 -9.505 -38.484 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 8.523 -7.816 -42.812 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 9.455 -7.687 -42.634 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 8.308 -7.146 -43.461 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 14.447 -10.210 -36.031 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 13.770 -10.079 -35.367 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 13.961 -10.365 -36.841 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 11.362 -6.657 -37.408 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 11.926 -7.204 -37.955 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 11.214 -7.179 -36.619 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 9.988 -8.269 -34.994 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 9.153 -7.815 -34.884 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 10.512 -7.993 -34.242 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 10.532 -2.056 -43.309 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 9.788 -2.563 -43.632 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 10.398 -2.007 -42.363 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 17.682 -2.923 -34.523 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 18.324 -2.466 -35.066 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 16.852 -2.810 -34.985 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 12.658 -0.597 -44.284 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 12.363 0.229 -43.902 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 11.955 -1.217 -44.088 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 18.329 1.621 -43.290 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 17.956 0.795 -42.980 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 18.606 1.438 -44.187 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 15.489 -3.571 -36.268 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 14.561 -3.803 -36.295 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 15.940 -4.348 -36.598 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 9.459 -1.580 -40.559 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 9.218 -0.655 -40.517 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 8.719 -2.039 -40.163 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 15.721 -0.403 -45.469 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 16.074 -0.783 -44.665 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 14.772 -0.496 -45.383 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 4.299 -9.547 -32.667 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 3.406 -9.208 -32.734 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 4.200 -10.402 -32.249 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 16.587 -1.730 -43.243 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 16.310 -2.458 -42.687 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 17.514 -1.611 -43.037 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 13.034 -9.806 -33.777 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 13.732 -9.732 -33.127 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 12.653 -10.670 -33.622 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 11.018 -8.426 -41.845 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 11.830 -7.922 -41.799 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 10.773 -8.571 -40.931 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 11.554 -7.440 -32.660 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 11.673 -6.866 -31.903 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 12.209 -8.128 -32.545 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 11.902 -11.345 -40.907 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 11.555 -10.727 -40.262 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 12.560 -10.844 -41.388 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 17.758 -9.533 -31.825 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 16.842 -9.270 -31.913 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 18.094 -9.536 -32.722 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 4.942 -12.408 -37.370 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 4.713 -12.349 -38.297 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 4.499 -13.200 -37.063 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 16.454 2.389 -46.650 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 16.737 1.595 -46.197 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 17.194 2.622 -47.211 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 12.761 -0.654 -47.057 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 12.493 -0.474 -46.156 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 12.555 -1.580 -47.188 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 8.558 -3.729 -44.487 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 8.099 -4.213 -43.801 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 8.813 -4.397 -45.123 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 9.629 -5.486 -46.224 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 9.449 -5.640 -47.152 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 10.580 -5.378 -46.180 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 8.187 -8.481 -31.048 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 8.337 -9.210 -31.651 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 8.189 -7.704 -31.607 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 8.599 -10.111 -33.556 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 9.135 -9.660 -34.208 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 7.747 -10.219 -33.978 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 14.597 -6.857 -28.288 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 14.789 -7.788 -28.399 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 15.454 -6.432 -28.298 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 6.665 -7.283 -29.137 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 5.898 -7.815 -29.347 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 7.344 -7.593 -29.736 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 10.669 -8.333 -29.561 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 10.433 -8.553 -28.659 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 9.886 -8.540 -30.070 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 13.385 -9.206 -30.485 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 12.437 -9.174 -30.353 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 13.697 -9.831 -29.831 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 15.019 -10.572 -28.480 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 14.922 -11.524 -28.486 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 14.697 -10.303 -27.619 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 4.846 -9.362 -29.432 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 5.057 -10.069 -30.043 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 4.734 -9.800 -28.588 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 9.627 -13.361 -30.453 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 10.339 -14.001 -30.467 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 9.526 -13.094 -31.367 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 9.980 -11.678 -28.399 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 9.849 -12.154 -29.220 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 9.381 -10.934 -28.455 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 17.981 -7.524 -36.519 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 18.914 -7.312 -36.553 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 17.746 -7.422 -35.596 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 18.010 -6.787 -33.743 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 17.167 -6.519 -33.377 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 18.453 -5.965 -33.954 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 2.292 -8.339 -30.266 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 3.211 -8.461 -30.030 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 1.842 -9.089 -29.877 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 20.293 -12.807 -28.389 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 20.643 -13.461 -28.995 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 20.440 -11.970 -28.829 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 19.813 -10.698 -30.040 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 18.896 -10.427 -30.076 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 19.936 -11.233 -30.824 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 12.244 -11.159 -37.898 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 11.569 -11.788 -37.643 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 12.808 -11.643 -38.501 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 9.150 -12.598 -40.263 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 10.024 -12.210 -40.293 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 9.014 -12.813 -39.340 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 10.294 -10.518 -43.373 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 10.472 -11.164 -42.690 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 10.240 -9.684 -42.906 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 4.528 -12.011 -30.559 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 4.162 -12.776 -30.116 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 5.441 -11.982 -30.272 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 14.923 -13.328 -28.841 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 14.999 -13.754 -27.987 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 15.816 -13.314 -29.183 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 13.649 -3.369 -21.262 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 13.738 -2.425 -21.394 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 13.010 -3.644 -21.920 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 12.582 -4.114 -17.843 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 12.544 -4.760 -17.138 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 12.259 -4.580 -18.614 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 4.950 -4.499 -16.250 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 4.992 -5.125 -15.526 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 5.653 -3.876 -16.068 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 2.484 -6.389 -22.322 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 2.036 -5.543 -22.340 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 1.923 -6.969 -22.837 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 3.194 -4.227 -20.196 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 3.408 -4.997 -19.669 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 3.932 -4.138 -20.799 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 10.971 -1.681 -17.437 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 11.275 -2.367 -18.031 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 11.693 -1.563 -16.819 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 19.634 -10.080 -16.576 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 19.683 -9.470 -15.840 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 20.060 -9.619 -17.299 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 14.112 -7.287 -17.109 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 14.255 -8.234 -17.089 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 14.006 -7.080 -18.038 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 14.989 -9.055 -21.436 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 15.635 -9.384 -20.811 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 15.499 -8.537 -22.059 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 3.887 -6.789 -19.075 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 4.541 -7.339 -18.643 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 3.911 -7.063 -19.991 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 20.026 -8.602 -14.340 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 19.337 -7.944 -14.435 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 20.041 -8.799 -13.403 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 13.446 -0.768 -22.219 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 13.150 -1.090 -23.070 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 13.122 0.132 -22.177 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 8.646 -2.592 -15.475 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 7.906 -1.994 -15.372 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 9.360 -2.038 -15.791 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 16.753 -9.764 -19.455 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 16.538 -10.530 -18.923 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 17.409 -9.292 -18.942 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 17.100 -11.049 -15.776 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 16.364 -10.438 -15.814 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 17.784 -10.634 -16.302 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 12.424 -5.667 -26.771 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 13.125 -5.645 -26.120 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 12.726 -6.295 -27.427 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 15.776 -3.915 -22.858 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 15.044 -3.687 -22.285 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 16.223 -4.629 -22.403 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 15.673 -5.741 -13.790 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 15.753 -4.978 -13.218 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 15.072 -5.462 -14.481 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 7.421 -3.285 -20.975 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 7.091 -3.655 -21.794 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 8.009 -3.955 -20.629 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 8.788 0.143 -18.294 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 8.693 -0.435 -19.051 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 9.517 -0.228 -17.798 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 7.788 -4.516 -17.342 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 8.353 -4.395 -18.105 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 8.107 -3.879 -16.703 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 14.647 -4.753 -25.173 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 15.226 -4.603 -24.426 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 15.061 -4.282 -25.896 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 18.345 -13.003 -25.360 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 17.446 -12.864 -25.065 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 18.597 -12.172 -25.762 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 6.411 -4.215 -23.386 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 6.119 -3.447 -23.877 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 5.737 -4.875 -23.549 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 17.604 -6.913 -11.525 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 17.197 -6.432 -12.245 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 17.645 -7.818 -11.832 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 11.697 -9.844 -26.873 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 11.443 -9.825 -25.950 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 11.440 -10.716 -27.174 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 7.463 -7.093 -16.437 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 6.821 -7.134 -15.728 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 7.500 -6.167 -16.675 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 12.098 -6.281 -11.220 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 11.535 -6.985 -10.900 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 12.924 -6.401 -10.753 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 5.213 -6.773 -14.570 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 5.175 -6.373 -13.702 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 4.722 -7.590 -14.480 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 8.579 -9.399 -27.772 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 8.148 -9.844 -27.042 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 7.861 -9.027 -28.284 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 3.096 -8.911 -25.296 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 3.570 -8.320 -25.881 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 2.378 -8.380 -24.949 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 13.264 -5.372 -15.223 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 13.588 -6.003 -15.866 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 12.824 -5.907 -14.562 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 14.447 -10.210 -17.175 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 13.770 -10.079 -16.511 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 13.961 -10.365 -17.985 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 7.197 -6.621 -26.389 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 6.655 -7.001 -27.080 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 8.031 -6.427 -26.818 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 9.988 -8.269 -16.138 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 9.153 -7.815 -16.028 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 10.512 -7.993 -15.386 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 10.532 -2.056 -24.453 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 9.788 -2.563 -24.776 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 10.398 -2.007 -23.507 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 14.430 -9.242 -26.254 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 13.492 -9.130 -26.405 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 14.727 -8.385 -25.948 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 15.148 -7.375 -24.593 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 16.040 -7.512 -24.274 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 15.205 -6.584 -25.130 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 5.657 -2.761 -18.684 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 6.402 -2.763 -19.285 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 5.735 -3.585 -18.202 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 12.658 -0.597 -25.428 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 12.363 0.229 -25.046 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 11.955 -1.217 -25.232 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 15.489 -3.571 -17.412 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 14.561 -3.803 -17.439 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 15.940 -4.348 -17.742 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 8.032 0.757 -21.279 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 8.559 1.530 -21.480 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 7.152 0.982 -21.581 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 9.459 -1.580 -21.703 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 9.218 -0.655 -21.661 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 8.719 -2.039 -21.307 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 4.299 -9.547 -13.811 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 3.406 -9.208 -13.878 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 4.200 -10.402 -13.393 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 5.202 -2.468 -25.200 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 4.516 -2.116 -24.633 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 5.725 -1.705 -25.446 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 13.034 -9.806 -14.921 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 13.732 -9.732 -14.271 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 12.653 -10.670 -14.766 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 13.818 -10.154 -23.824 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 14.038 -9.682 -24.627 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 14.376 -9.759 -23.153 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 11.554 -7.440 -13.804 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 11.673 -6.866 -13.047 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 12.209 -8.128 -13.689 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 16.360 -5.782 -18.873 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 15.563 -6.197 -19.202 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 16.805 -6.473 -18.382 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 4.134 -7.190 -27.187 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 4.089 -6.251 -27.008 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 3.246 -7.426 -27.457 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 8.558 -3.729 -25.631 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 8.099 -4.213 -24.945 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 8.813 -4.397 -26.267 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 7.847 -5.836 -13.275 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 7.229 -5.161 -12.994 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 8.191 -5.515 -14.108 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 9.629 -5.486 -27.368 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 9.449 -5.640 -28.296 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 10.580 -5.378 -27.324 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 12.867 -3.365 -9.997 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 13.820 -3.281 -10.025 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 12.707 -4.076 -9.378 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 8.187 -8.481 -12.192 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 8.337 -9.210 -12.795 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 8.189 -7.704 -12.751 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 10.181 -4.672 -14.460 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 10.932 -4.828 -15.033 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 9.842 -3.820 -14.736 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 14.597 -6.857 -9.432 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 14.789 -7.788 -9.543 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 15.454 -6.432 -9.442 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 15.913 -4.068 -11.354 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 15.632 -3.359 -11.932 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 16.856 -4.141 -11.505 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 6.665 -7.283 -10.281 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 5.898 -7.815 -10.491 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 7.344 -7.593 -10.880 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 10.669 -8.333 -10.705 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 10.433 -8.553 -9.803 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 9.886 -8.540 -11.214 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 4.846 -9.362 -10.576 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 5.057 -10.069 -11.187 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 4.734 -9.800 -9.732 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 17.659 -5.688 -21.561 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 17.509 -6.633 -21.581 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 17.305 -5.407 -20.717 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 2.694 -3.610 -17.551 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 2.878 -3.692 -18.486 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 3.543 -3.734 -17.127 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 20.012 -5.815 -11.238 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 19.149 -6.194 -11.403 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 20.616 -6.554 -11.312 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 17.737 -9.660 -28.065 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 18.347 -10.032 -27.428 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 16.900 -10.082 -27.869 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 17.369 -8.105 -23.099 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 17.649 -9.012 -22.974 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 18.128 -7.671 -23.488 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 18.010 -6.787 -14.887 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 17.167 -6.519 -14.521 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 18.453 -5.965 -15.098 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 2.292 -8.339 -11.410 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 3.211 -8.461 -11.174 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 1.842 -9.089 -11.021 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 20.293 -12.807 -9.533 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 20.643 -13.461 -10.139 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 20.440 -11.970 -9.973 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 17.983 -10.842 -23.050 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 18.165 -11.291 -22.225 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 17.383 -11.427 -23.514 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 1.817 -7.028 -17.450 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 2.309 -7.249 -18.240 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 2.179 -6.187 -17.169 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 19.813 -10.698 -11.184 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 18.896 -10.427 -11.220 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 19.936 -11.233 -11.968 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 18.814 -12.608 -13.365 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 18.001 -12.283 -13.753 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 19.047 -13.368 -13.898 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 17.386 -13.052 -18.930 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 17.990 -12.504 -19.431 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 16.517 -12.732 -19.170 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 19.113 -11.913 -20.596 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 19.725 -12.427 -21.123 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 19.496 -11.035 -20.573 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 16.060 -12.542 -24.065 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 15.357 -11.928 -24.275 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 15.615 -13.380 -23.934 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 4.528 -12.011 -11.703 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 4.162 -12.776 -11.260 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 5.441 -11.982 -11.416 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 6.501 -12.660 -10.167 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 7.400 -12.934 -10.352 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 6.115 -13.403 -9.703 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 7.267 -9.186 -0.981 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 7.310 -8.326 -1.399 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 6.809 -9.738 -1.614 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 14.989 -9.055 -2.580 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 15.635 -9.384 -1.955 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 15.499 -8.537 -3.203 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 3.887 -6.789 -0.219 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 4.541 -7.339 0.213 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 3.911 -7.063 -1.135 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 6.077 -10.268 3.093 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 5.858 -9.738 2.327 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 5.409 -10.041 3.741 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 5.671 -8.376 1.046 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 6.284 -7.743 1.419 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 6.183 -8.848 0.389 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 10.103 -12.962 0.546 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 9.986 -13.911 0.492 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 9.248 -12.630 0.819 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 12.424 -5.667 -7.915 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 13.125 -5.645 -7.264 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 12.726 -6.295 -8.571 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 14.647 -4.753 -6.317 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 15.226 -4.603 -5.570 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 15.061 -4.282 -7.040 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 18.345 -13.003 -6.504 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 17.446 -12.864 -6.209 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 18.597 -12.172 -6.906 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 16.124 -3.720 -8.687 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 16.166 -3.943 -9.617 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 16.973 -3.322 -8.497 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 11.697 -9.844 -8.017 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 11.443 -9.825 -7.094 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 11.440 -10.716 -8.318 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 7.463 -7.093 2.419 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 6.821 -7.134 3.128 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 7.500 -6.167 2.181 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 12.996 -6.456 -3.852 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 12.587 -5.641 -4.144 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 13.716 -6.596 -4.467 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 8.579 -9.399 -8.916 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 8.148 -9.844 -8.186 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 7.861 -9.027 -9.428 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 1.821 -9.657 -1.864 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 2.452 -9.686 -1.144 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 2.271 -10.082 -2.594 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 10.042 -9.445 -1.583 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 9.131 -9.388 -1.294 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 10.547 -9.505 -0.772 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 4.870 -7.816 -2.756 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 3.981 -7.716 -3.096 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 5.166 -8.658 -3.102 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 6.364 -10.521 -3.278 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 6.047 -11.423 -3.313 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 7.145 -10.519 -3.830 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 15.148 -7.375 -5.737 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 16.040 -7.512 -5.418 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 15.205 -6.584 -6.274 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 20.033 -7.165 -6.043 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 19.479 -7.561 -6.715 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 20.134 -6.255 -6.320 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 4.299 -9.547 5.045 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 3.406 -9.208 4.978 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 4.200 -10.402 5.463 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 13.818 -10.154 -4.968 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 14.038 -9.682 -5.771 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 14.376 -9.759 -4.297 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 11.018 -8.426 -4.133 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 11.830 -7.922 -4.087 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 10.773 -8.571 -3.219 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 11.902 -11.345 -3.195 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 11.555 -10.727 -2.550 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 12.560 -10.844 -3.676 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 7.559 -10.282 -6.507 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 7.476 -9.393 -6.161 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 8.449 -10.547 -6.276 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 9.629 -5.486 -8.512 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 9.449 -5.640 -9.440 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 10.580 -5.378 -8.468 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 8.599 -10.111 4.156 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 9.135 -9.660 3.504 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 7.747 -10.219 3.734 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 9.405 -12.655 4.588 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 9.307 -11.708 4.482 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 8.662 -13.027 4.112 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 9.627 -13.361 7.259 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 10.339 -14.001 7.245 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 9.526 -13.094 6.345 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 18.489 -7.068 -8.326 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 18.586 -6.401 -9.006 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 18.349 -7.884 -8.808 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 17.369 -8.105 -4.243 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 17.649 -9.012 -4.118 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 18.128 -7.671 -4.632 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 17.983 -10.842 -4.194 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 18.165 -11.291 -3.369 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 17.383 -11.427 -4.658 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 3.513 -10.027 0.337 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 3.958 -10.819 0.639 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 3.979 -9.311 0.768 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 1.817 -7.028 1.406 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 2.309 -7.249 0.616 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 2.179 -6.187 1.687 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 19.849 -10.775 -7.666 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 20.262 -11.496 -8.142 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 20.531 -10.105 -7.608 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 2.130 -10.770 -4.539 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 1.205 -10.561 -4.669 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 2.584 -10.286 -5.229 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 2.094 -12.032 3.805 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 1.429 -12.278 4.448 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 1.651 -11.410 3.228 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 12.244 -11.159 -0.186 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 11.569 -11.788 0.069 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 12.808 -11.643 -0.789 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 17.386 -13.052 -0.074 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 17.990 -12.504 -0.575 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 16.517 -12.732 -0.314 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 19.113 -11.913 -1.740 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 19.725 -12.427 -2.267 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 19.496 -11.035 -1.717 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 3.407 -12.727 -6.561 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 3.846 -12.116 -7.152 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 2.773 -12.189 -6.087 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 9.150 -12.598 -2.551 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 10.024 -12.210 -2.581 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 9.014 -12.813 -1.628 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 14.707 -12.568 -0.902 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 14.783 -12.473 -1.851 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 14.431 -13.476 -0.773 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 5.268 -10.811 -8.118 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 5.759 -11.441 -8.646 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 5.891 -10.515 -7.455 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 10.294 -10.518 -5.661 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 10.472 -11.164 -4.978 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 10.240 -9.684 -5.194 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 4.528 -12.011 7.153 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 4.162 -12.776 7.596 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 5.441 -11.982 7.440 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 22.017 -33.567 -29.879 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 22.557 -33.784 -29.120 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 21.536 -34.373 -30.069 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 24.730 -37.761 -17.715 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 24.360 -38.563 -18.084 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 25.671 -37.930 -17.668 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 25.910 -38.340 -14.688 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 25.904 -37.461 -15.066 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 25.056 -38.423 -14.263 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 27.524 -37.829 -12.625 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 27.212 -37.047 -12.169 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 26.874 -37.982 -13.311 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 24.444 -41.631 -13.396 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 24.514 -40.980 -12.698 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 23.553 -41.528 -13.731 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 21.360 -39.564 -14.571 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 20.859 -39.592 -15.386 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 21.366 -40.470 -14.261 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 21.111 -36.784 -17.687 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 22.057 -36.928 -17.706 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 20.998 -36.000 -17.150 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 30.287 -36.544 -13.129 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 30.374 -35.718 -12.654 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 29.423 -36.874 -12.880 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 23.609 -38.241 -13.528 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 23.826 -38.602 -12.668 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 22.754 -38.615 -13.738 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 24.188 -39.776 -11.290 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 24.921 -39.522 -10.729 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 23.408 -39.572 -10.775 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 21.521 -42.012 -13.369 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 21.744 -42.430 -12.537 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 20.919 -42.625 -13.791 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 28.830 -35.143 -15.388 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 29.193 -34.288 -15.621 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 29.362 -35.435 -14.647 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 22.806 -35.454 -15.376 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 23.023 -36.386 -15.407 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 23.053 -35.180 -14.492 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 22.728 -36.180 -22.353 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 21.896 -35.707 -22.326 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 23.274 -35.670 -22.952 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 26.614 -34.648 -9.403 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 27.382 -35.107 -9.062 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 26.593 -34.874 -10.333 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 21.924 -39.757 -10.069 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 22.068 -40.659 -10.355 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 21.151 -39.471 -10.557 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 28.579 -39.787 -10.636 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 28.251 -39.516 -11.494 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 28.731 -40.728 -10.724 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 22.756 -42.557 -10.649 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 23.164 -43.414 -10.770 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 22.496 -42.542 -9.728 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 20.600 -32.478 -21.807 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 19.953 -32.940 -22.340 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 20.955 -33.150 -21.224 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 21.470 -34.397 -20.002 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 21.136 -35.278 -19.830 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 21.692 -34.052 -19.138 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 21.550 -41.322 -17.551 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 21.734 -41.404 -18.486 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 22.399 -41.446 -17.127 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 26.096 -35.594 -14.648 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 25.671 -34.785 -14.931 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 27.001 -35.509 -14.950 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 30.407 -34.195 -11.689 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 30.592 -34.529 -10.811 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 31.254 -33.886 -12.011 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 25.965 -32.738 -15.571 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 25.100 -32.666 -15.167 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 25.910 -32.191 -16.355 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 22.913 -33.715 -17.690 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 22.894 -34.140 -16.833 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 23.718 -34.033 -18.099 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 25.054 -35.005 -19.035 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 24.835 -35.921 -18.866 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 25.878 -34.865 -18.569 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 27.591 -34.535 -18.187 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 27.804 -35.423 -18.474 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 27.656 -34.569 -17.232 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 23.806 -42.211 2.606 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 23.848 -42.837 3.330 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 24.509 -41.588 2.788 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 22.050 -41.939 -1.340 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 22.264 -42.709 -0.813 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 22.788 -41.850 -1.943 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 32.255 -33.782 -0.473 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 32.875 -34.459 -0.746 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 32.047 -34.000 0.435 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 29.827 -39.393 1.419 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 30.131 -40.079 0.825 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 30.549 -39.275 2.037 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 27.502 -40.304 3.381 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 26.762 -39.706 3.484 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 28.216 -39.750 3.065 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 33.908 -35.266 -1.712 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 34.333 -35.973 -2.197 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 34.225 -34.465 -2.129 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 26.277 -40.997 -2.119 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 25.947 -41.367 -2.938 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 26.865 -41.667 -1.773 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 27.644 -37.569 0.562 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 27.549 -38.147 -0.195 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 28.373 -37.940 1.058 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 26.644 -42.228 1.514 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 27.209 -42.107 0.751 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 26.963 -41.591 2.153 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 27.524 -37.829 6.231 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 27.212 -37.047 6.687 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 26.874 -37.982 5.545 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 24.444 -41.631 5.460 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 24.514 -40.980 6.158 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 23.553 -41.528 5.125 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 31.229 -35.728 -2.882 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 31.703 -35.433 -2.104 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 30.666 -34.990 -3.115 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 25.763 -35.757 6.995 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 25.771 -35.893 6.047 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 24.847 -35.875 7.247 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 21.360 -39.564 4.285 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 20.859 -39.592 3.470 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 21.366 -40.470 4.595 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 30.287 -36.544 5.727 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 30.374 -35.718 6.202 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 29.423 -36.874 5.976 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 33.803 -33.618 -7.464 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 34.178 -34.362 -7.935 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 33.807 -33.888 -6.546 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 33.472 -33.692 -4.715 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 32.537 -33.592 -4.536 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 33.752 -34.401 -4.137 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 24.188 -39.776 7.566 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 24.921 -39.522 8.127 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 23.408 -39.572 8.081 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 24.513 -40.473 0.172 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 25.258 -40.475 -0.429 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 24.591 -41.297 0.654 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 21.521 -42.012 5.487 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 21.744 -42.430 6.319 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 20.919 -42.625 5.065 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 26.888 -36.955 -2.423 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 27.415 -36.182 -2.624 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 26.008 -36.730 -2.725 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 22.643 -42.093 -7.836 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 23.259 -41.466 -7.457 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 21.781 -41.777 -7.565 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 28.315 -39.292 -2.847 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 28.074 -38.367 -2.805 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 27.575 -39.751 -2.451 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 28.830 -35.143 3.468 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 29.193 -34.288 3.235 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 29.362 -35.435 4.209 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 28.668 -37.003 -9.310 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 28.907 -37.751 -9.858 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 28.399 -37.391 -8.478 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 27.605 -37.433 -6.854 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 27.752 -37.953 -6.064 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 27.602 -36.526 -6.548 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 24.058 -40.180 -6.344 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 23.372 -39.828 -5.777 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 24.581 -39.417 -6.590 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 30.343 -35.735 -6.105 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 29.526 -35.238 -6.052 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 30.872 -35.260 -6.745 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 27.681 -34.692 -6.123 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 27.842 -33.892 -6.624 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 27.484 -34.385 -5.238 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 24.674 -37.566 -7.447 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 25.266 -36.867 -7.171 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 25.133 -37.999 -8.166 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 22.017 -33.567 7.833 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 22.557 -33.784 8.592 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 21.536 -34.373 7.643 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 26.614 -34.648 9.453 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 27.382 -35.107 9.794 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 26.593 -34.874 8.523 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 30.706 -35.140 -9.172 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 30.062 -35.771 -8.850 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 31.468 -35.671 -9.404 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 21.924 -39.757 8.787 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 22.068 -40.659 8.501 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 21.151 -39.471 8.299 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 26.265 -39.413 -9.081 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 26.329 -40.207 -8.550 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 26.918 -39.532 -9.770 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 21.951 -37.871 -8.028 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 22.865 -37.792 -7.755 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 21.958 -38.558 -8.695 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 21.550 -41.322 1.305 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 21.734 -41.404 0.370 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 22.399 -41.446 1.729 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 23.142 -36.569 7.949 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 22.321 -36.394 7.489 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 22.890 -36.642 8.870 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 30.407 -34.195 7.167 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 30.592 -34.529 8.045 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 31.254 -33.886 6.845 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 30.676 -32.850 2.461 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 30.219 -32.321 1.807 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 30.839 -32.247 3.186 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 31.028 -33.281 -7.266 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 31.894 -32.915 -7.444 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 30.781 -33.721 -8.079 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 23.982 -33.571 10.218 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 23.714 -33.284 11.091 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 24.753 -34.117 10.370 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 24.730 -18.905 -55.427 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 24.360 -19.707 -55.796 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 25.671 -19.074 -55.380 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 32.255 -14.926 -57.041 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 32.875 -15.603 -57.314 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 32.047 -15.144 -56.133 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 25.910 -19.484 -52.400 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 25.904 -18.605 -52.778 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 25.056 -19.567 -51.975 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 27.644 -18.713 -56.006 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 27.549 -19.291 -56.763 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 28.373 -19.084 -55.510 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 27.524 -18.973 -50.337 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 27.212 -18.191 -49.881 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 26.874 -19.126 -51.023 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 25.763 -16.901 -49.573 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 25.771 -17.037 -50.521 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 24.847 -17.019 -49.321 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 21.360 -20.708 -52.283 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 20.859 -20.736 -53.098 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 21.366 -21.614 -51.973 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 21.111 -17.928 -55.399 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 22.057 -18.072 -55.418 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 20.998 -17.144 -54.862 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 30.287 -17.688 -50.841 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 30.374 -16.862 -50.366 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 29.423 -18.018 -50.592 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 24.355 -15.127 -59.254 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 24.507 -15.475 -58.375 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 23.504 -15.483 -59.509 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 23.609 -19.385 -51.240 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 23.826 -19.746 -50.380 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 22.754 -19.759 -51.450 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 26.888 -18.099 -58.991 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 27.415 -17.326 -59.192 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 26.008 -17.874 -59.293 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 28.830 -16.287 -53.100 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 29.193 -15.432 -53.333 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 29.362 -16.579 -52.359 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 26.999 -15.414 -59.870 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 26.049 -15.309 -59.818 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 27.350 -14.594 -59.525 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 22.728 -17.324 -60.065 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 21.896 -16.851 -60.038 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 23.274 -16.814 -60.664 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 26.614 -15.792 -47.115 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 27.382 -16.251 -46.774 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 26.593 -16.018 -48.045 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 20.600 -13.622 -59.519 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 19.953 -14.084 -60.052 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 20.955 -14.294 -58.936 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 21.470 -15.541 -57.714 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 21.136 -16.422 -57.542 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 21.692 -15.196 -56.850 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 23.142 -17.713 -48.619 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 22.321 -17.538 -49.079 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 22.890 -17.786 -47.698 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 26.096 -16.738 -52.360 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 25.671 -15.929 -52.643 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 27.001 -16.653 -52.662 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 30.407 -15.339 -49.401 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 30.592 -15.673 -48.523 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 31.254 -15.030 -49.723 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 32.752 -14.054 -50.157 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 33.429 -14.686 -50.397 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 33.074 -13.652 -49.349 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 30.676 -13.994 -54.107 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 30.219 -13.465 -54.761 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 30.839 -13.391 -53.382 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 25.054 -16.149 -56.747 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 24.835 -17.065 -56.578 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 25.878 -16.009 -56.281 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 23.806 -23.355 -35.106 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 23.848 -23.981 -34.382 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 24.509 -22.732 -34.924 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 24.730 -18.905 -36.571 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 24.360 -19.707 -36.940 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 25.671 -19.074 -36.524 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 22.050 -23.083 -39.052 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 22.264 -23.853 -38.525 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 22.788 -22.994 -39.655 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 25.910 -19.484 -33.544 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 25.904 -18.605 -33.922 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 25.056 -19.567 -33.119 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 22.031 -19.813 -42.762 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 21.759 -19.584 -43.651 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 22.076 -18.975 -42.302 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 24.444 -22.775 -32.252 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 24.514 -22.124 -31.554 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 23.553 -22.672 -32.587 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 25.763 -16.901 -30.717 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 25.771 -17.037 -31.665 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 24.847 -17.019 -30.465 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 24.355 -15.127 -40.398 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 24.507 -15.475 -39.519 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 23.504 -15.483 -40.653 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 23.609 -19.385 -32.384 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 23.826 -19.746 -31.524 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 22.754 -19.759 -32.594 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 24.188 -20.920 -30.146 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 24.921 -20.666 -29.585 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 23.408 -20.716 -29.631 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 21.521 -23.156 -32.225 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 21.744 -23.574 -31.393 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 20.919 -23.769 -32.647 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 26.999 -15.414 -41.014 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 26.049 -15.309 -40.962 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 27.350 -14.594 -40.669 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 22.806 -16.598 -34.232 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 23.023 -17.530 -34.263 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 23.053 -16.324 -33.348 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 28.668 -18.147 -47.022 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 28.907 -18.895 -47.570 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 28.399 -18.535 -46.190 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 27.681 -15.836 -43.835 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 27.842 -15.036 -44.336 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 27.484 -15.529 -42.950 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 24.674 -18.710 -45.159 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 25.266 -18.011 -44.883 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 25.133 -19.143 -45.878 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 22.728 -17.324 -41.209 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 21.896 -16.851 -41.182 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 23.274 -16.814 -41.808 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 22.017 -14.711 -29.879 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 22.557 -14.928 -29.120 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 21.536 -15.517 -30.069 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 30.706 -16.284 -46.884 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 30.062 -16.915 -46.562 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 31.468 -16.815 -47.116 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 21.924 -20.901 -28.925 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 22.068 -21.803 -29.211 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 21.151 -20.615 -29.413 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 22.756 -23.701 -29.505 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 23.164 -24.558 -29.626 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 22.496 -23.686 -28.584 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 28.383 -13.651 -45.223 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 29.316 -13.493 -45.079 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 28.119 -12.976 -45.848 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 21.951 -19.015 -45.740 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 22.865 -18.936 -45.467 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 21.958 -19.702 -46.407 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 21.550 -22.466 -36.407 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 21.734 -22.548 -37.342 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 22.399 -22.590 -35.983 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 21.148 -27.195 -30.266 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 22.067 -27.317 -30.030 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 20.698 -27.945 -29.877 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 20.673 -25.884 -36.306 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 21.165 -26.105 -37.096 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 21.035 -25.043 -36.025 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 20.950 -30.888 -33.907 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 20.285 -31.134 -33.264 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 20.507 -30.266 -34.484 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 23.142 -17.713 -29.763 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 22.321 -17.538 -30.223 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 22.890 -17.786 -28.842 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 26.096 -16.738 -33.504 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 25.671 -15.929 -33.787 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 27.001 -16.653 -33.806 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 23.498 -13.482 -33.457 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 22.778 -13.042 -33.908 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 23.132 -13.733 -32.608 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 25.965 -13.882 -34.427 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 25.100 -13.810 -34.023 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 25.910 -13.335 -35.211 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 22.913 -14.859 -36.546 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 22.894 -15.284 -35.689 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 23.718 -15.177 -36.955 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 25.054 -16.149 -37.891 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 24.835 -17.065 -37.722 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 25.878 -16.009 -37.425 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 31.028 -14.425 -44.978 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 31.894 -14.059 -45.156 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 30.781 -14.865 -45.791 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 23.982 -14.715 -46.350 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 23.714 -14.428 -45.477 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 24.753 -15.261 -46.198 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 23.806 -23.355 -16.250 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 23.848 -23.981 -15.526 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 24.509 -22.732 -16.068 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 24.730 -18.905 -17.715 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 24.360 -19.707 -18.084 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 25.671 -19.074 -17.668 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 21.340 -25.245 -22.322 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 20.892 -24.399 -22.340 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 20.779 -25.825 -22.837 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 22.050 -23.083 -20.196 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 22.264 -23.853 -19.669 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 22.788 -22.994 -20.799 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 22.743 -25.645 -19.075 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 23.397 -26.195 -18.643 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 22.767 -25.919 -19.991 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 24.933 -29.124 -15.763 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 24.714 -28.594 -16.529 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 24.265 -28.897 -15.115 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 24.527 -27.232 -17.810 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 25.140 -26.599 -17.437 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 25.039 -27.704 -18.467 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 25.910 -19.484 -14.688 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 25.904 -18.605 -15.066 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 25.056 -19.567 -14.263 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 22.031 -19.813 -23.906 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 21.759 -19.584 -24.795 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 22.076 -18.975 -23.446 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 26.644 -23.372 -17.342 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 27.209 -23.251 -18.105 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 26.963 -22.735 -16.703 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 24.444 -22.775 -13.396 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 24.514 -22.124 -12.698 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 23.553 -22.672 -13.731 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 21.111 -17.928 -17.687 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 22.057 -18.072 -17.706 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 20.998 -17.144 -17.150 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 23.609 -19.385 -13.528 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 23.826 -19.746 -12.668 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 22.754 -19.759 -13.738 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 26.228 -30.915 -17.532 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 25.367 -31.002 -17.940 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 26.206 -30.059 -17.105 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 30.891 -31.193 -14.158 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 31.311 -31.608 -13.405 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 29.958 -31.371 -14.041 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 24.069 -25.629 -14.570 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 24.031 -25.229 -13.702 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 23.578 -26.446 -14.480 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 20.677 -28.513 -20.720 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 21.308 -28.542 -20.000 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 21.127 -28.938 -21.450 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 21.952 -27.767 -25.296 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 22.426 -27.176 -25.881 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 21.234 -27.236 -24.949 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 24.188 -20.920 -11.290 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 24.921 -20.666 -10.729 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 23.408 -20.716 -10.775 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 24.513 -21.617 -18.684 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 25.258 -21.619 -19.285 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 24.591 -22.441 -18.202 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 22.643 -23.237 -26.692 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 23.259 -22.610 -26.313 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 21.781 -22.921 -26.421 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 23.155 -28.403 -13.811 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 22.262 -28.064 -13.878 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 23.056 -29.258 -13.393 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 22.806 -16.598 -15.376 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 23.023 -17.530 -15.407 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 23.053 -16.324 -14.492 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 23.798 -31.264 -18.514 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 23.569 -31.205 -19.441 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 23.355 -32.056 -18.207 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 22.728 -17.324 -22.353 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 21.896 -16.851 -22.326 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 23.274 -16.814 -22.952 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 22.017 -14.711 -11.023 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 22.557 -14.928 -10.264 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 21.536 -15.517 -11.213 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 21.924 -20.901 -10.069 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 22.068 -21.803 -10.355 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 21.151 -20.615 -10.557 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 22.756 -23.701 -10.649 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 23.164 -24.558 -10.770 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 22.496 -23.686 -9.728 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 27.043 -27.337 -12.192 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 27.193 -28.066 -12.795 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 27.045 -26.560 -12.751 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 27.455 -28.967 -14.700 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 27.991 -28.516 -15.352 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 26.603 -29.075 -15.122 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 25.521 -26.139 -10.281 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 24.754 -26.671 -10.491 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 26.200 -26.449 -10.880 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 28.261 -31.511 -14.268 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 28.163 -30.564 -14.374 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 27.518 -31.883 -14.744 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 29.525 -27.189 -10.705 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 29.289 -27.409 -9.803 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 28.742 -27.396 -11.214 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 23.702 -28.218 -10.576 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 23.913 -28.925 -11.187 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 23.590 -28.656 -9.732 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 28.483 -32.217 -11.597 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 29.195 -32.857 -11.611 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 28.382 -31.950 -12.511 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 28.836 -30.534 -9.543 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 28.705 -31.010 -10.364 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 28.237 -29.790 -9.599 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 21.951 -19.015 -26.884 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 22.865 -18.936 -26.611 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 21.958 -19.702 -27.551 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 21.470 -15.541 -20.002 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 21.136 -16.422 -19.830 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 21.692 -15.196 -19.138 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 22.369 -28.883 -18.519 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 22.814 -29.675 -18.217 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 22.835 -28.167 -18.088 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 20.673 -25.884 -17.450 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 21.165 -26.105 -18.240 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 21.035 -25.043 -17.169 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 20.986 -29.626 -23.395 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 20.061 -29.417 -23.525 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 21.440 -29.142 -24.085 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 23.142 -17.713 -10.907 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 22.321 -17.538 -11.367 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 22.890 -17.786 -9.986 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 22.913 -14.859 -17.690 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 22.894 -15.284 -16.833 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 23.718 -15.177 -18.099 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 23.426 -31.381 -21.220 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 22.649 -31.615 -21.728 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 23.957 -32.178 -21.212 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 22.164 -15.635 -24.519 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 21.479 -15.673 -25.187 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 22.167 -14.722 -24.231 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 23.806 -23.355 2.606 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 23.848 -23.981 3.330 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 24.509 -22.732 2.788 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 33.845 -27.911 -2.580 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 34.491 -28.240 -1.955 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 34.355 -27.393 -3.203 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 27.899 -24.095 -1.003 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 28.515 -24.621 -0.494 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 27.313 -24.735 -1.407 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 22.031 -19.813 -5.050 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 21.759 -19.584 -5.939 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 22.076 -18.975 -4.590 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 31.226 -22.981 -4.954 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 30.514 -22.446 -5.305 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 31.917 -22.925 -5.614 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 31.280 -24.523 -7.915 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 31.981 -24.501 -7.264 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 31.582 -25.151 -8.571 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 26.277 -22.141 -2.119 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 25.947 -22.511 -2.938 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 26.865 -22.811 -1.773 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 26.644 -23.372 1.514 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 27.209 -23.251 0.751 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 26.963 -22.735 2.153 0.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 25.267 -23.071 -4.530 0.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 24.975 -22.303 -5.021 0.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 24.593 -23.731 -4.693 0.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 21.111 -17.928 1.169 0.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 22.057 -18.072 1.150 0.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 20.998 -17.144 1.706 0.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 30.891 -31.193 4.698 0.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 31.311 -31.608 5.451 0.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 29.958 -31.371 4.815 0.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 30.553 -28.700 -8.017 0.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 30.299 -28.681 -7.094 0.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 30.296 -29.572 -8.318 0.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 26.319 -25.949 2.419 0.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 25.677 -25.990 3.128 0.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 26.356 -25.023 2.181 0.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 31.852 -25.312 -3.852 0.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 31.443 -24.497 -4.144 0.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 32.572 -25.452 -4.467 0.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 32.856 -25.866 -1.038 0.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 32.661 -25.261 -1.753 0.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 33.038 -26.700 -1.473 0.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 24.069 -25.629 4.286 0.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 24.031 -25.229 5.154 0.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 23.578 -26.446 4.376 0.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 27.435 -28.255 -8.916 0.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 27.004 -28.700 -8.186 0.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 26.717 -27.883 -9.428 0.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 33.303 -29.066 1.681 0.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 32.626 -28.935 2.345 0.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 32.817 -29.221 0.871 0.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 26.053 -25.477 -7.533 0.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 25.511 -25.857 -8.224 0.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 26.887 -25.283 -7.962 0.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 30.218 -25.513 0.304 0.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 30.782 -26.060 -0.243 0.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 30.070 -26.035 1.093 0.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 28.844 -27.125 2.718 0.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 28.009 -26.671 2.828 0.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 29.368 -26.849 3.470 0.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 33.286 -28.098 -7.398 0.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 32.348 -27.986 -7.549 0.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 33.583 -27.241 -7.092 0.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 34.004 -26.231 -5.737 0.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 34.896 -26.368 -5.418 0.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 34.061 -25.440 -6.274 0.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 24.513 -21.617 0.172 0.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 25.258 -21.619 -0.429 0.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 24.591 -22.441 0.654 0.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 21.521 -23.156 5.487 0.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 21.744 -23.574 6.319 0.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 20.919 -23.769 5.065 0.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 22.643 -23.237 -7.836 0.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 23.259 -22.610 -7.457 0.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 21.781 -22.921 -7.565 0.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 23.155 -28.403 5.045 0.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 22.262 -28.064 4.978 0.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 23.056 -29.258 5.463 0.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 24.058 -21.324 -6.344 0.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 23.372 -20.972 -5.777 0.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 24.581 -20.561 -6.590 0.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 31.890 -28.662 3.935 0.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 32.588 -28.588 4.585 0.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 31.509 -29.526 4.090 0.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 32.674 -29.010 -4.968 0.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 32.894 -28.538 -5.771 0.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 33.232 -28.615 -4.297 0.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 30.410 -26.296 5.052 0.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 30.529 -25.722 5.809 0.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 31.065 -26.984 5.167 0.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 22.728 -17.324 -3.497 0.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 21.896 -16.851 -3.470 0.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 23.274 -16.814 -4.096 0.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 27.414 -22.585 -6.775 0.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 26.955 -23.069 -6.089 0.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 27.669 -23.253 -7.411 0.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 26.703 -24.692 5.581 0.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 26.085 -24.017 5.862 0.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 27.047 -24.371 4.748 0.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 28.485 -24.342 -8.512 0.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 28.305 -24.496 -9.440 0.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 29.436 -24.234 -8.468 0.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 27.043 -27.337 6.664 0.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 27.193 -28.066 6.061 0.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 27.045 -26.560 6.105 0.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 27.455 -28.967 4.156 0.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 27.991 -28.516 3.504 0.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 26.603 -29.075 3.734 0.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 23.702 -28.218 8.280 0.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 23.913 -28.925 7.669 0.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 23.590 -28.656 9.124 0.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 28.483 -32.217 7.259 0.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 29.195 -32.857 7.245 0.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 28.382 -31.950 6.345 0.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 21.951 -19.015 -8.028 0.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 22.865 -18.936 -7.755 0.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 21.958 -19.702 -8.695 0.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 20.600 -13.622 -2.951 0.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 19.953 -14.084 -3.484 0.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 20.955 -14.294 -2.368 0.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 21.470 -15.541 -1.146 0.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 21.136 -16.422 -0.974 0.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 21.692 -15.196 -0.282 0.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 21.550 -22.466 1.305 0.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 21.734 -22.548 0.370 0.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 22.399 -22.590 1.729 0.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 21.148 -27.195 7.446 0.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 22.067 -27.317 7.682 0.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 20.698 -27.945 7.835 0.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 20.673 -25.884 1.406 0.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 21.165 -26.105 0.616 0.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 21.035 -25.043 1.687 0.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 31.100 -30.015 -0.186 0.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 30.425 -30.644 0.069 0.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 31.664 -30.499 -0.789 0.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 33.563 -31.424 -0.902 0.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 33.639 -31.329 -1.851 0.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 33.287 -32.332 -0.773 0.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 34.916 -31.398 -5.209 0.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 34.213 -30.784 -5.419 0.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 34.471 -32.236 -5.078 0.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 22.164 -15.635 -5.663 0.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 21.479 -15.673 -6.331 0.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 22.167 -14.722 -5.375 0.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 25.357 -31.516 8.689 0.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 26.256 -31.790 8.504 0.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 24.971 -32.259 9.153 0.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 24.124 -29.667 10.738 0.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 24.615 -30.297 10.210 0.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 24.747 -29.371 11.401 0.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 23.806 -4.499 -53.962 0.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 23.848 -5.125 -53.238 0.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 24.509 -3.876 -53.780 0.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 21.340 -6.389 -60.034 0.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 20.892 -5.543 -60.052 0.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 20.779 -6.969 -60.549 0.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 26.123 -9.186 -57.549 0.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 26.166 -8.326 -57.967 0.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 25.665 -9.738 -58.182 0.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 22.743 -6.789 -56.787 0.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 23.397 -7.339 -56.355 0.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 22.767 -7.063 -57.703 0.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 27.899 -5.239 -57.571 0.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 28.515 -5.765 -57.062 0.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 27.313 -5.879 -57.975 0.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 27.502 -2.592 -53.187 0.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 26.762 -1.994 -53.084 0.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 28.216 -2.038 -53.503 0.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 28.959 -12.962 -56.022 0.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 28.842 -13.911 -56.076 0.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 28.104 -12.630 -55.749 0.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 26.644 -4.516 -55.054 0.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 27.209 -4.395 -55.817 0.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 26.963 -3.879 -54.415 0.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 24.444 -3.919 -51.108 0.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 24.514 -3.268 -50.410 0.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 23.553 -3.816 -51.443 0.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 21.360 -1.852 -52.283 0.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 20.859 -1.880 -53.098 0.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 21.366 -2.758 -51.973 0.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 23.609 -0.529 -51.240 0.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 23.826 -0.890 -50.380 0.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 22.754 -0.903 -51.450 0.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 30.891 -12.337 -51.870 0.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 31.311 -12.752 -51.117 0.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 29.958 -12.515 -51.753 0.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 26.319 -7.093 -54.149 0.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 25.677 -7.134 -53.440 0.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 26.356 -6.167 -54.387 0.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 26.316 -6.872 -59.237 0.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 25.423 -7.213 -59.296 0.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 26.767 -7.249 -59.993 0.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 30.954 -6.281 -48.932 0.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 30.391 -6.985 -48.612 0.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 31.780 -6.401 -48.465 0.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 24.069 -6.773 -52.282 0.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 24.031 -6.373 -51.414 0.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 23.578 -7.590 -52.192 0.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 20.677 -9.657 -58.432 0.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 21.308 -9.686 -57.712 0.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 21.127 -10.082 -59.162 0.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 28.898 -9.445 -58.151 0.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 27.987 -9.388 -57.862 0.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 29.403 -9.505 -57.340 0.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 23.726 -7.816 -59.324 0.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 22.837 -7.716 -59.664 0.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 24.022 -8.658 -59.670 0.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 24.188 -2.064 -49.002 0.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 24.921 -1.810 -48.441 0.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 23.408 -1.860 -48.487 0.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 30.218 -6.657 -56.264 0.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 30.782 -7.204 -56.811 0.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 30.070 -7.179 -55.475 0.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 25.220 -10.521 -59.846 0.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 24.903 -11.423 -59.881 0.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 26.001 -10.519 -60.398 0.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 28.844 -8.269 -53.850 0.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 28.009 -7.815 -53.740 0.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 29.368 -7.993 -53.098 0.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 21.521 -4.300 -51.081 0.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 21.744 -4.718 -50.249 0.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 20.919 -4.913 -51.503 0.00 0.00 WAT1 ATOM 4731 OH2 TIP3 1099 28.538 -4.783 -48.868 0.00 0.00 WAT1 ATOM 4732 H1 TIP3 1099 28.242 -4.949 -49.763 0.00 0.00 WAT1 ATOM 4733 H2 TIP3 1099 29.469 -5.003 -48.878 0.00 0.00 WAT1 ATOM 4734 OH2 TIP3 1100 31.890 -9.806 -52.633 0.00 0.00 WAT1 ATOM 4735 H1 TIP3 1100 32.588 -9.732 -51.983 0.00 0.00 WAT1 ATOM 4736 H2 TIP3 1100 31.509 -10.670 -52.478 0.00 0.00 WAT1 ATOM 4737 OH2 TIP3 1101 30.410 -7.440 -51.516 0.00 0.00 WAT1 ATOM 4738 H1 TIP3 1101 30.529 -6.866 -50.759 0.00 0.00 WAT1 ATOM 4739 H2 TIP3 1101 31.065 -8.128 -51.401 0.00 0.00 WAT1 ATOM 4740 OH2 TIP3 1102 21.924 -2.045 -47.781 0.00 0.00 WAT1 ATOM 4741 H1 TIP3 1102 22.068 -2.947 -48.067 0.00 0.00 WAT1 ATOM 4742 H2 TIP3 1102 21.151 -1.759 -48.269 0.00 0.00 WAT1 ATOM 4743 OH2 TIP3 1103 28.579 -2.075 -48.348 0.00 0.00 WAT1 ATOM 4744 H1 TIP3 1103 28.251 -1.804 -49.206 0.00 0.00 WAT1 ATOM 4745 H2 TIP3 1103 28.731 -3.016 -48.436 0.00 0.00 WAT1 ATOM 4746 OH2 TIP3 1104 29.037 -4.672 -52.172 0.00 0.00 WAT1 ATOM 4747 H1 TIP3 1104 29.788 -4.828 -52.745 0.00 0.00 WAT1 ATOM 4748 H2 TIP3 1104 28.698 -3.820 -52.448 0.00 0.00 WAT1 ATOM 4749 OH2 TIP3 1105 32.241 -9.206 -49.341 0.00 0.00 WAT1 ATOM 4750 H1 TIP3 1105 31.293 -9.174 -49.209 0.00 0.00 WAT1 ATOM 4751 H2 TIP3 1105 32.553 -9.831 -48.687 0.00 0.00 WAT1 ATOM 4752 OH2 TIP3 1106 33.875 -10.572 -47.336 0.00 0.00 WAT1 ATOM 4753 H1 TIP3 1106 33.778 -11.524 -47.342 0.00 0.00 WAT1 ATOM 4754 H2 TIP3 1106 33.553 -10.303 -46.475 0.00 0.00 WAT1 ATOM 4755 OH2 TIP3 1107 21.550 -3.610 -55.263 0.00 0.00 WAT1 ATOM 4756 H1 TIP3 1107 21.734 -3.692 -56.198 0.00 0.00 WAT1 ATOM 4757 H2 TIP3 1107 22.399 -3.734 -54.839 0.00 0.00 WAT1 ATOM 4758 OH2 TIP3 1108 20.673 -7.028 -55.162 0.00 0.00 WAT1 ATOM 4759 H1 TIP3 1108 21.165 -7.249 -55.952 0.00 0.00 WAT1 ATOM 4760 H2 TIP3 1108 21.035 -6.187 -54.881 0.00 0.00 WAT1 ATOM 4761 OH2 TIP3 1109 20.986 -10.770 -61.107 0.00 0.00 WAT1 ATOM 4762 H1 TIP3 1109 20.061 -10.561 -61.237 0.00 0.00 WAT1 ATOM 4763 H2 TIP3 1109 21.440 -10.286 -61.797 0.00 0.00 WAT1 ATOM 4764 OH2 TIP3 1110 23.142 1.143 -48.619 0.00 0.00 WAT1 ATOM 4765 H1 TIP3 1110 22.321 1.318 -49.079 0.00 0.00 WAT1 ATOM 4766 H2 TIP3 1110 22.890 1.070 -47.698 0.00 0.00 WAT1 ATOM 4767 OH2 TIP3 1111 31.100 -11.159 -56.754 0.00 0.00 WAT1 ATOM 4768 H1 TIP3 1111 30.425 -11.788 -56.499 0.00 0.00 WAT1 ATOM 4769 H2 TIP3 1111 31.664 -11.643 -57.357 0.00 0.00 WAT1 ATOM 4770 OH2 TIP3 1112 23.426 -12.525 -58.932 0.00 0.00 WAT1 ATOM 4771 H1 TIP3 1112 22.649 -12.759 -59.440 0.00 0.00 WAT1 ATOM 4772 H2 TIP3 1112 23.957 -13.322 -58.924 0.00 0.00 WAT1 ATOM 4773 OH2 TIP3 1113 28.006 -12.598 -59.119 0.00 0.00 WAT1 ATOM 4774 H1 TIP3 1113 28.880 -12.210 -59.149 0.00 0.00 WAT1 ATOM 4775 H2 TIP3 1113 27.870 -12.813 -58.196 0.00 0.00 WAT1 ATOM 4776 OH2 TIP3 1114 33.779 -13.328 -47.697 0.00 0.00 WAT1 ATOM 4777 H1 TIP3 1114 33.855 -13.754 -46.843 0.00 0.00 WAT1 ATOM 4778 H2 TIP3 1114 34.672 -13.314 -48.039 0.00 0.00 WAT1 ATOM 4779 OH2 TIP3 1115 22.050 -4.227 -39.052 0.00 0.00 WAT1 ATOM 4780 H1 TIP3 1115 22.264 -4.997 -38.525 0.00 0.00 WAT1 ATOM 4781 H2 TIP3 1115 22.788 -4.138 -39.655 0.00 0.00 WAT1 ATOM 4782 OH2 TIP3 1116 26.123 -9.186 -38.693 0.00 0.00 WAT1 ATOM 4783 H1 TIP3 1116 26.166 -8.326 -39.111 0.00 0.00 WAT1 ATOM 4784 H2 TIP3 1116 25.665 -9.738 -39.326 0.00 0.00 WAT1 ATOM 4785 OH2 TIP3 1117 22.743 -6.789 -37.931 0.00 0.00 WAT1 ATOM 4786 H1 TIP3 1117 23.397 -7.339 -37.499 0.00 0.00 WAT1 ATOM 4787 H2 TIP3 1117 22.767 -7.063 -38.847 0.00 0.00 WAT1 ATOM 4788 OH2 TIP3 1118 24.933 -10.268 -34.619 0.00 0.00 WAT1 ATOM 4789 H1 TIP3 1118 24.714 -9.738 -35.385 0.00 0.00 WAT1 ATOM 4790 H2 TIP3 1118 24.265 -10.041 -33.971 0.00 0.00 WAT1 ATOM 4791 OH2 TIP3 1119 24.527 -8.376 -36.666 0.00 0.00 WAT1 ATOM 4792 H1 TIP3 1119 25.140 -7.743 -36.293 0.00 0.00 WAT1 ATOM 4793 H2 TIP3 1119 25.039 -8.848 -37.323 0.00 0.00 WAT1 ATOM 4794 OH2 TIP3 1120 22.031 -0.957 -42.762 0.00 0.00 WAT1 ATOM 4795 H1 TIP3 1120 21.759 -0.728 -43.651 0.00 0.00 WAT1 ATOM 4796 H2 TIP3 1120 22.076 -0.119 -42.302 0.00 0.00 WAT1 ATOM 4797 OH2 TIP3 1121 31.280 -5.667 -45.627 0.00 0.00 WAT1 ATOM 4798 H1 TIP3 1121 31.981 -5.645 -44.976 0.00 0.00 WAT1 ATOM 4799 H2 TIP3 1121 31.582 -6.295 -46.283 0.00 0.00 WAT1 ATOM 4800 OH2 TIP3 1122 25.267 -4.215 -42.242 0.00 0.00 WAT1 ATOM 4801 H1 TIP3 1122 24.975 -3.447 -42.733 0.00 0.00 WAT1 ATOM 4802 H2 TIP3 1122 24.593 -4.875 -42.405 0.00 0.00 WAT1 ATOM 4803 OH2 TIP3 1123 26.228 -12.059 -36.388 0.00 0.00 WAT1 ATOM 4804 H1 TIP3 1123 25.367 -12.146 -36.796 0.00 0.00 WAT1 ATOM 4805 H2 TIP3 1123 26.206 -11.203 -35.961 0.00 0.00 WAT1 ATOM 4806 OH2 TIP3 1124 30.553 -9.844 -45.729 0.00 0.00 WAT1 ATOM 4807 H1 TIP3 1124 30.299 -9.825 -44.806 0.00 0.00 WAT1 ATOM 4808 H2 TIP3 1124 30.296 -10.716 -46.030 0.00 0.00 WAT1 ATOM 4809 OH2 TIP3 1125 26.316 -6.872 -40.381 0.00 0.00 WAT1 ATOM 4810 H1 TIP3 1125 25.423 -7.213 -40.440 0.00 0.00 WAT1 ATOM 4811 H2 TIP3 1125 26.767 -7.249 -41.137 0.00 0.00 WAT1 ATOM 4812 OH2 TIP3 1126 23.726 -7.816 -40.468 0.00 0.00 WAT1 ATOM 4813 H1 TIP3 1126 22.837 -7.716 -40.808 0.00 0.00 WAT1 ATOM 4814 H2 TIP3 1126 24.022 -8.658 -40.814 0.00 0.00 WAT1 ATOM 4815 OH2 TIP3 1127 27.379 -7.816 -42.812 0.00 0.00 WAT1 ATOM 4816 H1 TIP3 1127 28.311 -7.687 -42.634 0.00 0.00 WAT1 ATOM 4817 H2 TIP3 1127 27.164 -7.146 -43.461 0.00 0.00 WAT1 ATOM 4818 OH2 TIP3 1128 26.053 -6.621 -45.245 0.00 0.00 WAT1 ATOM 4819 H1 TIP3 1128 25.511 -7.001 -45.936 0.00 0.00 WAT1 ATOM 4820 H2 TIP3 1128 26.887 -6.427 -45.674 0.00 0.00 WAT1 ATOM 4821 OH2 TIP3 1129 25.220 -10.521 -40.990 0.00 0.00 WAT1 ATOM 4822 H1 TIP3 1129 24.903 -11.423 -41.025 0.00 0.00 WAT1 ATOM 4823 H2 TIP3 1129 26.001 -10.519 -41.542 0.00 0.00 WAT1 ATOM 4824 OH2 TIP3 1130 33.286 -9.242 -45.110 0.00 0.00 WAT1 ATOM 4825 H1 TIP3 1130 32.348 -9.130 -45.261 0.00 0.00 WAT1 ATOM 4826 H2 TIP3 1130 33.583 -8.385 -44.804 0.00 0.00 WAT1 ATOM 4827 OH2 TIP3 1131 23.155 -9.547 -32.667 0.00 0.00 WAT1 ATOM 4828 H1 TIP3 1131 22.262 -9.208 -32.734 0.00 0.00 WAT1 ATOM 4829 H2 TIP3 1131 23.056 -10.402 -32.249 0.00 0.00 WAT1 ATOM 4830 OH2 TIP3 1132 24.058 -2.468 -44.056 0.00 0.00 WAT1 ATOM 4831 H1 TIP3 1132 23.372 -2.116 -43.489 0.00 0.00 WAT1 ATOM 4832 H2 TIP3 1132 24.581 -1.705 -44.302 0.00 0.00 WAT1 ATOM 4833 OH2 TIP3 1133 26.415 -10.282 -44.219 0.00 0.00 WAT1 ATOM 4834 H1 TIP3 1133 26.332 -9.393 -43.873 0.00 0.00 WAT1 ATOM 4835 H2 TIP3 1133 27.305 -10.547 -43.988 0.00 0.00 WAT1 ATOM 4836 OH2 TIP3 1134 24.674 0.146 -45.159 0.00 0.00 WAT1 ATOM 4837 H1 TIP3 1134 25.266 0.845 -44.883 0.00 0.00 WAT1 ATOM 4838 H2 TIP3 1134 25.133 -0.287 -45.878 0.00 0.00 WAT1 ATOM 4839 OH2 TIP3 1135 23.798 -12.408 -37.370 0.00 0.00 WAT1 ATOM 4840 H1 TIP3 1135 23.569 -12.349 -38.297 0.00 0.00 WAT1 ATOM 4841 H2 TIP3 1135 23.355 -13.200 -37.063 0.00 0.00 WAT1 ATOM 4842 OH2 TIP3 1136 26.265 -1.701 -46.793 0.00 0.00 WAT1 ATOM 4843 H1 TIP3 1136 26.329 -2.495 -46.262 0.00 0.00 WAT1 ATOM 4844 H2 TIP3 1136 26.918 -1.820 -47.482 0.00 0.00 WAT1 ATOM 4845 OH2 TIP3 1137 27.414 -3.729 -44.487 0.00 0.00 WAT1 ATOM 4846 H1 TIP3 1137 26.955 -4.213 -43.801 0.00 0.00 WAT1 ATOM 4847 H2 TIP3 1137 27.669 -4.397 -45.123 0.00 0.00 WAT1 ATOM 4848 OH2 TIP3 1138 28.485 -5.486 -46.224 0.00 0.00 WAT1 ATOM 4849 H1 TIP3 1138 28.305 -5.640 -47.152 0.00 0.00 WAT1 ATOM 4850 H2 TIP3 1138 29.436 -5.378 -46.180 0.00 0.00 WAT1 ATOM 4851 OH2 TIP3 1139 21.951 -0.159 -45.740 0.00 0.00 WAT1 ATOM 4852 H1 TIP3 1139 22.865 -0.080 -45.467 0.00 0.00 WAT1 ATOM 4853 H2 TIP3 1139 21.958 -0.846 -46.407 0.00 0.00 WAT1 ATOM 4854 OH2 TIP3 1140 21.550 -3.610 -36.407 0.00 0.00 WAT1 ATOM 4855 H1 TIP3 1140 21.734 -3.692 -37.342 0.00 0.00 WAT1 ATOM 4856 H2 TIP3 1140 22.399 -3.734 -35.983 0.00 0.00 WAT1 ATOM 4857 OH2 TIP3 1141 21.148 -8.339 -30.266 0.00 0.00 WAT1 ATOM 4858 H1 TIP3 1141 22.067 -8.461 -30.030 0.00 0.00 WAT1 ATOM 4859 H2 TIP3 1141 20.698 -9.089 -29.877 0.00 0.00 WAT1 ATOM 4860 OH2 TIP3 1142 22.369 -10.027 -37.375 0.00 0.00 WAT1 ATOM 4861 H1 TIP3 1142 22.814 -10.819 -37.073 0.00 0.00 WAT1 ATOM 4862 H2 TIP3 1142 22.835 -9.311 -36.944 0.00 0.00 WAT1 ATOM 4863 OH2 TIP3 1143 20.673 -7.028 -36.306 0.00 0.00 WAT1 ATOM 4864 H1 TIP3 1143 21.165 -7.249 -37.096 0.00 0.00 WAT1 ATOM 4865 H2 TIP3 1143 21.035 -6.187 -36.025 0.00 0.00 WAT1 ATOM 4866 OH2 TIP3 1144 23.426 -12.525 -40.076 0.00 0.00 WAT1 ATOM 4867 H1 TIP3 1144 22.649 -12.759 -40.584 0.00 0.00 WAT1 ATOM 4868 H2 TIP3 1144 23.957 -13.322 -40.068 0.00 0.00 WAT1 ATOM 4869 OH2 TIP3 1145 29.150 -10.518 -43.373 0.00 0.00 WAT1 ATOM 4870 H1 TIP3 1145 29.328 -11.164 -42.690 0.00 0.00 WAT1 ATOM 4871 H2 TIP3 1145 29.096 -9.684 -42.906 0.00 0.00 WAT1 ATOM 4872 OH2 TIP3 1146 23.384 -12.011 -30.559 0.00 0.00 WAT1 ATOM 4873 H1 TIP3 1146 23.018 -12.776 -30.116 0.00 0.00 WAT1 ATOM 4874 H2 TIP3 1146 24.297 -11.982 -30.272 0.00 0.00 WAT1 ATOM 4875 OH2 TIP3 1147 21.148 -8.339 -11.410 0.00 0.00 WAT1 ATOM 4876 H1 TIP3 1147 22.067 -8.461 -11.174 0.00 0.00 WAT1 ATOM 4877 H2 TIP3 1147 20.698 -9.089 -11.021 0.00 0.00 WAT1 ATOM 4878 OH2 TIP3 1148 20.950 -12.032 -15.051 0.00 0.00 WAT1 ATOM 4879 H1 TIP3 1148 20.285 -12.278 -14.408 0.00 0.00 WAT1 ATOM 4880 H2 TIP3 1148 20.507 -11.410 -15.628 0.00 0.00 WAT1 ATOM 4881 OH2 TIP3 1149 21.952 -8.911 -6.440 0.00 0.00 WAT1 ATOM 4882 H1 TIP3 1149 22.426 -8.320 -7.025 0.00 0.00 WAT1 ATOM 4883 H2 TIP3 1149 21.234 -8.380 -6.093 0.00 0.00 WAT1 ATOM 4884 OH2 TIP3 1150 20.986 -10.770 -4.539 0.00 0.00 WAT1 ATOM 4885 H1 TIP3 1150 20.061 -10.561 -4.669 0.00 0.00 WAT1 ATOM 4886 H2 TIP3 1150 21.440 -10.286 -5.229 0.00 0.00 WAT1 ATOM 4887 OH2 TIP3 1151 22.263 -12.727 -6.561 0.00 0.00 WAT1 ATOM 4888 H1 TIP3 1151 22.702 -12.116 -7.152 0.00 0.00 WAT1 ATOM 4889 H2 TIP3 1151 21.629 -12.189 -6.087 0.00 0.00 WAT1 END