REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1608.96, 80.9055, 84.8587, 37.5934, 425.882, -273.237, -1965.63, 0.631061, 3.54891E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.290911E-03,0.449784,1.13667,42.2689,2.483087E-03,8.641872E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:58 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -11.652 -26.382 27.900 1.00 23.41 ATOM 2 CB MET 1 -12.371 -28.006 26.695 1.00 23.13 ATOM 3 HB1 MET 1 -13.235 -28.218 26.081 1.00 38.50 ATOM 4 HB2 MET 1 -12.333 -28.723 27.503 1.00 2.34 ATOM 5 CG MET 1 -11.122 -28.187 25.839 1.00 41.44 ATOM 6 HG1 MET 1 -10.251 -28.017 26.456 1.00 38.50 ATOM 7 HG2 MET 1 -11.141 -27.464 25.038 1.00 61.15 ATOM 8 SD MET 1 -11.009 -29.838 25.122 1.00 1.11 ATOM 9 CE MET 1 -9.450 -29.719 24.242 1.00 51.30 ATOM 10 HE1 MET 1 -8.656 -29.507 24.943 1.00 10.21 ATOM 11 HE2 MET 1 -9.506 -28.925 23.513 1.00 50.04 ATOM 12 HE3 MET 1 -9.247 -30.653 23.741 1.00 32.24 ATOM 13 C MET 1 -12.595 -25.564 26.161 1.00 41.01 ATOM 14 O MET 1 -13.598 -25.476 25.452 1.00 32.45 ATOM 15 N MET 1 -13.722 -26.533 28.162 1.00 24.32 ATOM 16 HT1 MET 1 -14.580 -26.706 27.602 1.00 38.50 ATOM 17 HT2 MET 1 -13.797 -25.595 28.608 1.00 38.50 ATOM 18 HT3 MET 1 -13.661 -27.254 28.913 1.00 38.50 ATOM 19 CA MET 1 -12.519 -26.599 27.290 1.00 74.13 ATOM 20 N GLY 2 -11.527 -24.793 25.998 1.00 21.21 ATOM 21 HN GLY 2 -10.755 -24.917 26.593 1.00 38.50 ATOM 22 CA GLY 2 -11.479 -23.765 24.963 1.00 32.23 ATOM 23 HA1 GLY 2 -12.371 -23.160 25.028 1.00 38.50 ATOM 24 HA2 GLY 2 -11.447 -24.242 23.994 1.00 31.23 ATOM 25 C GLY 2 -10.262 -22.862 25.105 1.00 55.32 ATOM 26 O GLY 2 -9.341 -23.173 25.859 1.00 1.02 ATOM 27 N HIS 3 -10.245 -21.746 24.384 1.00 3.23 ATOM 28 HN HIS 3 -11.002 -21.551 23.789 1.00 38.50 ATOM 29 CA HIS 3 -9.124 -20.801 24.453 1.00 5.14 ATOM 30 HA HIS 3 -8.500 -21.087 25.291 1.00 21.44 ATOM 31 CB HIS 3 -8.290 -20.878 23.170 1.00 13.00 ATOM 32 HB1 HIS 3 -7.453 -20.199 23.253 1.00 38.50 ATOM 33 HB2 HIS 3 -8.899 -20.583 22.329 1.00 1.12 ATOM 34 CG HIS 3 -7.744 -22.247 22.891 1.00 21.13 ATOM 35 ND1 HIS 3 -8.147 -23.020 21.822 1.00 71.25 ATOM 36 HD1 HIS 3 -8.811 -22.762 21.144 1.00 75.43 ATOM 37 CD2 HIS 3 -6.817 -22.982 23.551 1.00 41.33 ATOM 38 HD2 HIS 3 -6.283 -22.690 24.444 1.00 22.10 ATOM 39 CE1 HIS 3 -7.497 -24.166 21.839 1.00 21.22 ATOM 40 HE1 HIS 3 -7.612 -24.969 21.125 1.00 23.34 ATOM 41 NE2 HIS 3 -6.684 -24.169 22.875 1.00 54.15 ATOM 42 HE2 HIS 3 -5.967 -24.828 23.023 1.00 38.50 ATOM 43 C HIS 3 -9.611 -19.362 24.680 1.00 34.22 ATOM 44 O HIS 3 -10.454 -18.855 23.939 1.00 72.12 ATOM 45 N HIS 4 -9.075 -18.708 25.709 1.00 40.51 ATOM 46 HN HIS 4 -8.422 -19.171 26.278 1.00 38.50 ATOM 47 CA HIS 4 -9.427 -17.317 26.014 1.00 15.42 ATOM 48 HA HIS 4 -10.460 -17.168 25.733 1.00 43.44 ATOM 49 CB HIS 4 -9.283 -17.044 27.516 1.00 72.10 ATOM 50 HB1 HIS 4 -9.540 -16.014 27.717 1.00 38.50 ATOM 51 HB2 HIS 4 -8.258 -17.216 27.813 1.00 71.44 ATOM 52 CG HIS 4 -10.161 -17.911 28.367 1.00 71.33 ATOM 53 ND1 HIS 4 -9.690 -18.628 29.446 1.00 42.52 ATOM 54 HD1 HIS 4 -8.762 -18.628 29.775 1.00 2.25 ATOM 55 CD2 HIS 4 -11.488 -18.176 28.298 1.00 71.32 ATOM 56 HD2 HIS 4 -12.186 -17.775 27.577 1.00 1.23 ATOM 57 CE1 HIS 4 -10.680 -19.294 29.999 1.00 72.15 ATOM 58 HE1 HIS 4 -10.603 -19.933 30.867 1.00 24.32 ATOM 59 NE2 HIS 4 -11.780 -19.038 29.323 1.00 30.22 ATOM 60 HE2 HIS 4 -12.667 -19.404 29.526 1.00 38.50 ATOM 61 C HIS 4 -8.555 -16.337 25.213 1.00 72.12 ATOM 62 O HIS 4 -7.345 -16.246 25.424 1.00 71.42 ATOM 63 N HIS 5 -9.176 -15.609 24.289 1.00 44.23 ATOM 64 HN HIS 5 -10.147 -15.714 24.174 1.00 38.50 ATOM 65 CA HIS 5 -8.453 -14.648 23.446 1.00 2.12 ATOM 66 HA HIS 5 -7.393 -14.833 23.570 1.00 30.41 ATOM 67 CB HIS 5 -8.817 -14.863 21.968 1.00 31.01 ATOM 68 HB1 HIS 5 -8.527 -15.865 21.679 1.00 38.50 ATOM 69 HB2 HIS 5 -8.273 -14.153 21.363 1.00 75.01 ATOM 70 CG HIS 5 -10.279 -14.702 21.663 1.00 54.51 ATOM 71 ND1 HIS 5 -11.139 -15.767 21.498 1.00 72.21 ATOM 72 HD1 HIS 5 -10.900 -16.716 21.568 1.00 53.11 ATOM 73 CD2 HIS 5 -11.031 -13.589 21.474 1.00 61.45 ATOM 74 HD2 HIS 5 -10.687 -12.566 21.524 1.00 25.51 ATOM 75 CE1 HIS 5 -12.348 -15.319 21.221 1.00 3.03 ATOM 76 HE1 HIS 5 -13.221 -15.928 21.041 1.00 73.34 ATOM 77 NE2 HIS 5 -12.312 -14.003 21.206 1.00 55.44 ATOM 78 HE2 HIS 5 -13.016 -13.432 20.824 1.00 38.50 ATOM 79 C HIS 5 -8.745 -13.196 23.868 1.00 11.00 ATOM 80 O HIS 5 -9.750 -12.926 24.524 1.00 30.15 ATOM 81 N HIS 6 -7.861 -12.266 23.493 1.00 10.14 ATOM 82 HN HIS 6 -7.060 -12.540 22.992 1.00 38.50 ATOM 83 CA HIS 6 -8.059 -10.844 23.810 1.00 32.12 ATOM 84 HA HIS 6 -9.105 -10.623 23.642 1.00 24.41 ATOM 85 CB HIS 6 -7.734 -10.572 25.292 1.00 3.35 ATOM 86 HB1 HIS 6 -8.332 -11.231 25.907 1.00 38.50 ATOM 87 HB2 HIS 6 -7.991 -9.549 25.526 1.00 73.12 ATOM 88 CG HIS 6 -6.292 -10.777 25.667 1.00 32.11 ATOM 89 ND1 HIS 6 -5.643 -11.987 25.547 1.00 34.42 ATOM 90 HD1 HIS 6 -6.032 -12.816 25.201 1.00 0.24 ATOM 91 CD2 HIS 6 -5.372 -9.913 26.163 1.00 35.12 ATOM 92 HD2 HIS 6 -5.530 -8.867 26.389 1.00 20.43 ATOM 93 CE1 HIS 6 -4.397 -11.861 25.953 1.00 22.12 ATOM 94 HE1 HIS 6 -3.660 -12.648 25.982 1.00 70.53 ATOM 95 NE2 HIS 6 -4.205 -10.615 26.332 1.00 42.32 ATOM 96 HE2 HIS 6 -3.418 -10.297 26.830 1.00 38.50 ATOM 97 C HIS 6 -7.220 -9.929 22.893 1.00 41.41 ATOM 98 O HIS 6 -5.994 -10.033 22.842 1.00 21.41 ATOM 99 N HIS 7 -7.894 -9.034 22.169 1.00 72.33 ATOM 100 HN HIS 7 -8.874 -9.014 22.240 1.00 38.50 ATOM 101 CA HIS 7 -7.227 -8.075 21.275 1.00 50.24 ATOM 102 HA HIS 7 -6.157 -8.210 21.376 1.00 43.11 ATOM 103 CB HIS 7 -7.621 -8.347 19.815 1.00 62.33 ATOM 104 HB1 HIS 7 -7.267 -9.328 19.534 1.00 38.50 ATOM 105 HB2 HIS 7 -7.149 -7.611 19.180 1.00 32.10 ATOM 106 CG HIS 7 -9.100 -8.297 19.550 1.00 4.10 ATOM 107 ND1 HIS 7 -9.907 -9.416 19.561 1.00 1.22 ATOM 108 HD1 HIS 7 -9.613 -10.333 19.746 1.00 10.23 ATOM 109 CD2 HIS 7 -9.917 -7.258 19.251 1.00 61.22 ATOM 110 HD2 HIS 7 -9.628 -6.219 19.163 1.00 50.33 ATOM 111 CE1 HIS 7 -11.146 -9.068 19.281 1.00 0.01 ATOM 112 HE1 HIS 7 -11.993 -9.736 19.227 1.00 13.33 ATOM 113 NE2 HIS 7 -11.181 -7.767 19.089 1.00 72.11 ATOM 114 HE2 HIS 7 -11.958 -7.269 18.758 1.00 38.50 ATOM 115 C HIS 7 -7.573 -6.629 21.671 1.00 51.33 ATOM 116 O HIS 7 -8.732 -6.315 21.932 1.00 34.14 ATOM 117 N HIS 8 -6.571 -5.751 21.703 1.00 4.51 ATOM 118 HN HIS 8 -5.691 -6.014 21.350 1.00 38.50 ATOM 119 CA HIS 8 -6.757 -4.388 22.229 1.00 41.40 ATOM 120 HA HIS 8 -7.808 -4.150 22.155 1.00 2.02 ATOM 121 CB HIS 8 -6.350 -4.347 23.709 1.00 71.31 ATOM 122 HB1 HIS 8 -7.086 -4.885 24.290 1.00 38.50 ATOM 123 HB2 HIS 8 -6.319 -3.319 24.043 1.00 74.03 ATOM 124 CG HIS 8 -5.010 -4.967 23.981 1.00 20.32 ATOM 125 ND1 HIS 8 -3.832 -4.250 24.022 1.00 50.04 ATOM 126 HD1 HIS 8 -3.742 -3.278 23.897 1.00 54.13 ATOM 127 CD2 HIS 8 -4.666 -6.255 24.220 1.00 23.15 ATOM 128 HD2 HIS 8 -5.337 -7.100 24.263 1.00 63.31 ATOM 129 CE1 HIS 8 -2.829 -5.067 24.268 1.00 53.40 ATOM 130 HE1 HIS 8 -1.790 -4.784 24.348 1.00 74.13 ATOM 131 NE2 HIS 8 -3.306 -6.288 24.396 1.00 4.43 ATOM 132 HE2 HIS 8 -2.805 -7.046 24.766 1.00 38.50 ATOM 133 C HIS 8 -5.966 -3.334 21.433 1.00 23.20 ATOM 134 O HIS 8 -4.822 -3.562 21.033 1.00 33.25 ATOM 135 N SER 9 -6.593 -2.176 21.214 1.00 23.23 ATOM 136 HN SER 9 -7.518 -2.074 21.524 1.00 38.50 ATOM 137 CA SER 9 -5.954 -1.044 20.517 1.00 2.03 ATOM 138 HA SER 9 -4.909 -1.280 20.375 1.00 35.23 ATOM 139 CB SER 9 -6.608 -0.820 19.146 1.00 0.22 ATOM 140 HB1 SER 9 -6.533 -1.726 18.562 1.00 38.50 ATOM 141 HB2 SER 9 -6.099 -0.019 18.631 1.00 71.04 ATOM 142 OG SER 9 -7.981 -0.477 19.282 1.00 64.21 ATOM 143 HG SER 9 -8.518 -1.280 19.224 1.00 43.42 ATOM 144 C SER 9 -6.068 0.244 21.347 1.00 11.12 ATOM 145 O SER 9 -7.020 0.416 22.108 1.00 15.24 ATOM 146 N HIS 10 -5.102 1.152 21.196 1.00 4.24 ATOM 147 HN HIS 10 -4.365 0.966 20.573 1.00 38.50 ATOM 148 CA HIS 10 -5.115 2.423 21.939 1.00 72.12 ATOM 149 HA HIS 10 -5.683 2.264 22.847 1.00 34.23 ATOM 150 CB HIS 10 -3.687 2.832 22.326 1.00 52.25 ATOM 151 HB1 HIS 10 -3.708 3.817 22.771 1.00 38.50 ATOM 152 HB2 HIS 10 -3.074 2.857 21.437 1.00 61.50 ATOM 153 CG HIS 10 -3.042 1.896 23.303 1.00 52.02 ATOM 154 ND1 HIS 10 -3.299 1.930 24.656 1.00 35.31 ATOM 155 HD1 HIS 10 -3.907 2.553 25.109 1.00 72.14 ATOM 156 CD2 HIS 10 -2.157 0.888 23.119 1.00 65.32 ATOM 157 HD2 HIS 10 -1.726 0.576 22.177 1.00 43.41 ATOM 158 CE1 HIS 10 -2.603 0.989 25.260 1.00 64.34 ATOM 159 HE1 HIS 10 -2.607 0.782 26.320 1.00 41.22 ATOM 160 NE2 HIS 10 -1.902 0.341 24.351 1.00 42.10 ATOM 161 HE2 HIS 10 -1.451 -0.514 24.504 1.00 38.50 ATOM 162 C HIS 10 -5.794 3.546 21.137 1.00 73.14 ATOM 163 O HIS 10 -6.887 3.994 21.483 1.00 60.14 ATOM 164 N MET 11 -5.150 3.999 20.061 1.00 1.53 ATOM 165 HN MET 11 -4.285 3.606 19.820 1.00 38.50 ATOM 166 CA MET 11 -5.717 5.062 19.220 1.00 0.31 ATOM 167 HA MET 11 -6.314 5.704 19.858 1.00 42.20 ATOM 168 CB MET 11 -4.601 5.902 18.581 1.00 74.24 ATOM 169 HB1 MET 11 -4.003 5.267 17.944 1.00 38.50 ATOM 170 HB2 MET 11 -3.973 6.303 19.365 1.00 73.55 ATOM 171 CG MET 11 -5.118 7.067 17.744 1.00 65.11 ATOM 172 HG1 MET 11 -5.722 7.705 18.373 1.00 38.50 ATOM 173 HG2 MET 11 -5.727 6.676 16.941 1.00 31.32 ATOM 174 SD MET 11 -3.786 8.051 17.030 1.00 41.23 ATOM 175 CE MET 11 -4.720 9.279 16.117 1.00 44.24 ATOM 176 HE1 MET 11 -4.037 9.954 15.622 1.00 35.12 ATOM 177 HE2 MET 11 -5.347 9.836 16.799 1.00 25.10 ATOM 178 HE3 MET 11 -5.337 8.786 15.379 1.00 45.53 ATOM 179 C MET 11 -6.628 4.470 18.133 1.00 31.11 ATOM 180 O MET 11 -6.163 3.753 17.243 1.00 51.01 ATOM 181 N ALA 12 -7.921 4.772 18.210 1.00 31.12 ATOM 182 HN ALA 12 -8.228 5.374 18.923 1.00 38.50 ATOM 183 CA ALA 12 -8.899 4.227 17.264 1.00 54.43 ATOM 184 HA ALA 12 -8.374 3.562 16.588 1.00 65.30 ATOM 185 CB ALA 12 -9.942 3.400 18.009 1.00 33.50 ATOM 186 HB1 ALA 12 -10.524 4.046 18.651 1.00 21.33 ATOM 187 HB2 ALA 12 -9.446 2.649 18.608 1.00 41.14 ATOM 188 HB3 ALA 12 -10.596 2.917 17.297 1.00 1.21 ATOM 189 C ALA 12 -9.578 5.332 16.436 1.00 51.33 ATOM 190 O ALA 12 -10.634 5.842 16.819 1.00 44.51 ATOM 191 N LYS 13 -8.947 5.702 15.314 1.00 21.43 ATOM 192 HN LYS 13 -8.081 5.294 15.111 1.00 38.50 ATOM 193 CA LYS 13 -9.490 6.703 14.372 1.00 53.45 ATOM 194 HA LYS 13 -8.812 6.744 13.533 1.00 3.00 ATOM 195 CB LYS 13 -10.873 6.266 13.857 1.00 65.04 ATOM 196 HB1 LYS 13 -11.240 7.009 13.159 1.00 38.50 ATOM 197 HB2 LYS 13 -11.555 6.208 14.693 1.00 3.23 ATOM 198 CG LYS 13 -10.869 4.913 13.152 1.00 21.54 ATOM 199 HG1 LYS 13 -10.445 4.173 13.818 1.00 38.50 ATOM 200 HG2 LYS 13 -10.262 4.984 12.260 1.00 14.42 ATOM 201 CD LYS 13 -12.279 4.479 12.760 1.00 45.14 ATOM 202 HD1 LYS 13 -12.700 5.216 12.088 1.00 38.50 ATOM 203 HD2 LYS 13 -12.888 4.416 13.652 1.00 60.23 ATOM 204 CE LYS 13 -12.281 3.121 12.070 1.00 4.34 ATOM 205 HE1 LYS 13 -11.853 2.388 12.740 1.00 38.50 ATOM 206 HE2 LYS 13 -11.681 3.181 11.173 1.00 21.33 ATOM 207 NZ LYS 13 -13.655 2.692 11.701 1.00 61.05 ATOM 208 HZ1 LYS 13 -13.629 1.765 11.229 1.00 54.33 ATOM 209 HZ2 LYS 13 -14.084 3.383 11.054 1.00 43.44 ATOM 210 HZ3 LYS 13 -14.250 2.617 12.553 1.00 35.33 ATOM 211 C LYS 13 -9.583 8.115 14.994 1.00 24.15 ATOM 212 O LYS 13 -9.999 8.278 16.144 1.00 34.41 ATOM 213 N PRO 14 -9.200 9.165 14.237 1.00 1.34 ATOM 214 CA PRO 14 -9.319 10.558 14.702 1.00 52.22 ATOM 215 HA PRO 14 -8.921 10.676 15.701 1.00 23.20 ATOM 216 CB PRO 14 -8.447 11.331 13.704 1.00 14.52 ATOM 217 HB1 PRO 14 -7.432 11.387 14.073 1.00 38.50 ATOM 218 HB2 PRO 14 -8.839 12.330 13.567 1.00 44.01 ATOM 219 CG PRO 14 -8.526 10.531 12.447 1.00 11.24 ATOM 220 HG1 PRO 14 -7.637 10.689 11.853 1.00 38.50 ATOM 221 HG2 PRO 14 -9.407 10.812 11.886 1.00 1.23 ATOM 222 CD PRO 14 -8.620 9.086 12.879 1.00 52.30 ATOM 223 HD1 PRO 14 -7.638 8.635 12.906 1.00 38.50 ATOM 224 HD2 PRO 14 -9.271 8.534 12.215 1.00 22.02 ATOM 225 C PRO 14 -10.773 11.068 14.672 1.00 13.15 ATOM 226 O PRO 14 -11.685 10.361 14.239 1.00 42.42 ATOM 227 N THR 15 -10.991 12.295 15.143 1.00 11.23 ATOM 228 HN THR 15 -10.232 12.813 15.496 1.00 38.50 ATOM 229 CA THR 15 -12.336 12.890 15.158 1.00 1.42 ATOM 230 HA THR 15 -12.884 12.495 14.312 1.00 2.34 ATOM 231 CB THR 15 -13.109 12.513 16.451 1.00 31.33 ATOM 232 HB THR 15 -12.552 12.878 17.304 1.00 51.13 ATOM 233 OG1 THR 15 -13.227 11.080 16.556 1.00 73.24 ATOM 234 HG1 THR 15 -13.033 10.677 15.696 1.00 32.43 ATOM 235 CG2 THR 15 -14.503 13.139 16.472 1.00 14.25 ATOM 236 HG21 THR 15 -15.015 12.849 17.378 1.00 25.10 ATOM 237 HG22 THR 15 -15.067 12.795 15.617 1.00 33.44 ATOM 238 HG23 THR 15 -14.417 14.215 16.438 1.00 64.13 ATOM 239 C THR 15 -12.270 14.419 15.032 1.00 53.22 ATOM 240 O THR 15 -11.655 15.094 15.859 1.00 11.34 ATOM 241 N ALA 16 -12.908 14.957 13.995 1.00 71.02 ATOM 242 HN ALA 16 -13.424 14.371 13.398 1.00 38.50 ATOM 243 CA ALA 16 -12.867 16.398 13.716 1.00 44.10 ATOM 244 HA ALA 16 -11.987 16.806 14.199 1.00 32.31 ATOM 245 CB ALA 16 -12.724 16.630 12.216 1.00 61.53 ATOM 246 HB1 ALA 16 -13.585 16.225 11.704 1.00 21.04 ATOM 247 HB2 ALA 16 -11.829 16.139 11.859 1.00 44.22 ATOM 248 HB3 ALA 16 -12.655 17.690 12.018 1.00 72.02 ATOM 249 C ALA 16 -14.108 17.133 14.252 1.00 23.15 ATOM 250 O ALA 16 -15.162 16.532 14.470 1.00 75.35 ATOM 251 N ARG 17 -13.968 18.441 14.447 1.00 62.42 ATOM 252 HN ARG 17 -13.100 18.852 14.266 1.00 38.50 ATOM 253 CA ARG 17 -15.066 19.292 14.922 1.00 42.23 ATOM 254 HA ARG 17 -15.921 18.658 15.118 1.00 51.21 ATOM 255 CB ARG 17 -14.658 19.994 16.226 1.00 5.22 ATOM 256 HB1 ARG 17 -14.529 19.248 16.997 1.00 38.50 ATOM 257 HB2 ARG 17 -15.448 20.670 16.523 1.00 1.32 ATOM 258 CG ARG 17 -13.362 20.792 16.110 1.00 43.44 ATOM 259 HG1 ARG 17 -13.517 21.608 15.420 1.00 38.50 ATOM 260 HG2 ARG 17 -12.586 20.144 15.726 1.00 21.23 ATOM 261 CD ARG 17 -12.909 21.358 17.451 1.00 13.43 ATOM 262 HD1 ARG 17 -12.885 20.559 18.178 1.00 38.50 ATOM 263 HD2 ARG 17 -13.617 22.112 17.768 1.00 51.35 ATOM 264 NE ARG 17 -11.583 21.963 17.357 1.00 23.43 ATOM 265 HE ARG 17 -11.532 22.934 17.262 1.00 21.22 ATOM 266 CZ ARG 17 -10.466 21.282 17.385 1.00 71.51 ATOM 267 NH1 ARG 17 -10.482 19.994 17.519 1.00 33.22 ATOM 268 HH11 ARG 17 -11.350 19.512 17.602 1.00 72.13 ATOM 269 HH12 ARG 17 -9.625 19.483 17.538 1.00 20.53 ATOM 270 NH2 ARG 17 -9.332 21.889 17.272 1.00 34.12 ATOM 271 HH21 ARG 17 -9.307 22.882 17.160 1.00 33.32 ATOM 272 HH22 ARG 17 -8.485 21.369 17.300 1.00 22.42 ATOM 273 C ARG 17 -15.456 20.333 13.859 1.00 40.53 ATOM 274 O ARG 17 -14.593 20.991 13.274 1.00 44.42 ATOM 275 N GLY 18 -16.755 20.474 13.613 1.00 24.22 ATOM 276 HN GLY 18 -17.400 19.931 14.117 1.00 38.50 ATOM 277 CA GLY 18 -17.231 21.430 12.615 1.00 25.41 ATOM 278 HA1 GLY 18 -16.442 21.611 11.896 1.00 38.50 ATOM 279 HA2 GLY 18 -17.464 22.360 13.114 1.00 42.01 ATOM 280 C GLY 18 -18.472 20.949 11.867 1.00 33.42 ATOM 281 O GLY 18 -18.373 20.153 10.930 1.00 4.33 ATOM 282 N GLU 19 -19.643 21.418 12.289 1.00 3.01 ATOM 283 HN GLU 19 -19.662 21.999 13.077 1.00 38.50 ATOM 284 CA GLU 19 -20.907 21.091 11.615 1.00 74.24 ATOM 285 HA GLU 19 -20.717 20.268 10.937 1.00 22.45 ATOM 286 CB GLU 19 -21.961 20.647 12.644 1.00 44.22 ATOM 287 HB1 GLU 19 -21.622 19.734 13.113 1.00 38.50 ATOM 288 HB2 GLU 19 -22.890 20.446 12.127 1.00 42.21 ATOM 289 CG GLU 19 -22.238 21.673 13.740 1.00 13.41 ATOM 290 HG1 GLU 19 -22.637 22.569 13.286 1.00 38.50 ATOM 291 HG2 GLU 19 -21.307 21.912 14.237 1.00 54.25 ATOM 292 CD GLU 19 -23.227 21.171 14.780 1.00 23.45 ATOM 293 OE1 GLU 19 -22.795 20.520 15.757 1.00 61.30 ATOM 294 OE2 GLU 19 -24.441 21.426 14.632 1.00 3.43 ATOM 295 C GLU 19 -21.420 22.287 10.796 1.00 74.44 ATOM 296 O GLU 19 -21.134 23.442 11.119 1.00 63.23 ATOM 297 N ALA 20 -22.175 22.008 9.734 1.00 74.12 ATOM 298 HN ALA 20 -22.418 21.074 9.553 1.00 38.50 ATOM 299 CA ALA 20 -22.668 23.063 8.837 1.00 3.22 ATOM 300 HA ALA 20 -22.781 23.969 9.416 1.00 34.14 ATOM 301 CB ALA 20 -21.646 23.330 7.737 1.00 54.52 ATOM 302 HB1 ALA 20 -21.993 24.137 7.108 1.00 13.24 ATOM 303 HB2 ALA 20 -21.520 22.439 7.139 1.00 74.23 ATOM 304 HB3 ALA 20 -20.700 23.601 8.182 1.00 1.43 ATOM 305 C ALA 20 -24.030 22.702 8.222 1.00 60.22 ATOM 306 O ALA 20 -24.546 21.601 8.426 1.00 24.05 ATOM 307 N GLY 21 -24.596 23.625 7.445 1.00 1.01 ATOM 308 HN GLY 21 -24.113 24.461 7.261 1.00 38.50 ATOM 309 CA GLY 21 -25.922 23.414 6.867 1.00 5.24 ATOM 310 HA1 GLY 21 -26.569 24.215 7.196 1.00 38.50 ATOM 311 HA2 GLY 21 -26.323 22.480 7.238 1.00 71.51 ATOM 312 C GLY 21 -25.935 23.374 5.339 1.00 43.43 ATOM 313 O GLY 21 -26.423 22.415 4.748 1.00 23.30 ATOM 314 N SER 22 -25.391 24.411 4.702 1.00 13.41 ATOM 315 HN SER 22 -24.911 25.087 5.226 1.00 38.50 ATOM 316 CA SER 22 -25.481 24.570 3.236 1.00 30.21 ATOM 317 HA SER 22 -26.509 24.398 2.950 1.00 72.45 ATOM 318 CB SER 22 -25.095 26.001 2.830 1.00 43.21 ATOM 319 HB1 SER 22 -25.279 26.134 1.773 1.00 38.50 ATOM 320 HB2 SER 22 -24.045 26.161 3.032 1.00 62.40 ATOM 321 OG SER 22 -25.846 26.970 3.549 1.00 43.33 ATOM 322 HG SER 22 -25.323 27.285 4.301 1.00 72.13 ATOM 323 C SER 22 -24.586 23.574 2.474 1.00 43.02 ATOM 324 O SER 22 -23.600 23.065 3.012 1.00 23.34 ATOM 325 N ARG 23 -24.929 23.320 1.204 1.00 13.42 ATOM 326 HN ARG 23 -25.735 23.747 0.841 1.00 38.50 ATOM 327 CA ARG 23 -24.140 22.426 0.336 1.00 0.24 ATOM 328 HA ARG 23 -24.178 21.435 0.766 1.00 42.31 ATOM 329 CB ARG 23 -24.738 22.376 -1.083 1.00 12.21 ATOM 330 HB1 ARG 23 -23.973 22.037 -1.769 1.00 38.50 ATOM 331 HB2 ARG 23 -25.032 23.376 -1.368 1.00 22.51 ATOM 332 CG ARG 23 -25.958 21.460 -1.252 1.00 51.14 ATOM 333 HG1 ARG 23 -25.690 20.468 -0.916 1.00 38.50 ATOM 334 HG2 ARG 23 -26.214 21.420 -2.301 1.00 2.20 ATOM 335 CD ARG 23 -27.185 21.930 -0.473 1.00 2.20 ATOM 336 HD1 ARG 23 -28.071 21.561 -0.972 1.00 38.50 ATOM 337 HD2 ARG 23 -27.204 23.011 -0.471 1.00 61.32 ATOM 338 NE ARG 23 -27.197 21.457 0.911 1.00 63.21 ATOM 339 HE ARG 23 -26.566 20.751 1.157 1.00 62.20 ATOM 340 CZ ARG 23 -28.031 21.894 1.820 1.00 22.44 ATOM 341 NH1 ARG 23 -28.855 22.857 1.552 1.00 53.21 ATOM 342 HH11 ARG 23 -28.860 23.273 0.645 1.00 34.42 ATOM 343 HH12 ARG 23 -29.479 23.188 2.256 1.00 54.43 ATOM 344 NH2 ARG 23 -28.038 21.369 2.998 1.00 53.23 ATOM 345 HH21 ARG 23 -27.407 20.629 3.220 1.00 30.13 ATOM 346 HH22 ARG 23 -28.670 21.710 3.690 1.00 34.41 ATOM 347 C ARG 23 -22.667 22.870 0.257 1.00 63.54 ATOM 348 O ARG 23 -21.755 22.092 0.548 1.00 53.34 ATOM 349 N ASP 24 -22.444 24.121 -0.151 1.00 14.14 ATOM 350 HN ASP 24 -23.211 24.681 -0.401 1.00 38.50 ATOM 351 CA ASP 24 -21.089 24.688 -0.235 1.00 44.43 ATOM 352 HA ASP 24 -20.550 24.119 -0.980 1.00 13.41 ATOM 353 CB ASP 24 -21.144 26.157 -0.688 1.00 53.42 ATOM 354 HB1 ASP 24 -21.014 26.199 -1.759 1.00 38.50 ATOM 355 HB2 ASP 24 -20.342 26.709 -0.216 1.00 30.20 ATOM 356 CG ASP 24 -22.460 26.827 -0.336 1.00 73.14 ATOM 357 OD1 ASP 24 -22.663 27.173 0.843 1.00 54.33 ATOM 358 OD2 ASP 24 -23.307 26.982 -1.245 1.00 22.32 ATOM 359 C ASP 24 -20.336 24.563 1.099 1.00 32.50 ATOM 360 O ASP 24 -19.183 24.129 1.129 1.00 10.41 ATOM 361 N GLU 25 -20.993 24.943 2.191 1.00 44.52 ATOM 362 HN GLU 25 -21.872 25.370 2.090 1.00 38.50 ATOM 363 CA GLU 25 -20.437 24.770 3.542 1.00 40.53 ATOM 364 HA GLU 25 -19.590 25.436 3.636 1.00 55.35 ATOM 365 CB GLU 25 -21.492 25.152 4.594 1.00 14.41 ATOM 366 HB1 GLU 25 -21.111 24.909 5.575 1.00 38.50 ATOM 367 HB2 GLU 25 -22.387 24.573 4.415 1.00 4.34 ATOM 368 CG GLU 25 -21.875 26.632 4.586 1.00 25.41 ATOM 369 HG1 GLU 25 -22.081 26.929 3.567 1.00 38.50 ATOM 370 HG2 GLU 25 -21.038 27.205 4.961 1.00 33.53 ATOM 371 CD GLU 25 -23.101 26.944 5.443 1.00 24.23 ATOM 372 OE1 GLU 25 -23.664 28.056 5.305 1.00 62.10 ATOM 373 OE2 GLU 25 -23.524 26.074 6.237 1.00 44.42 ATOM 374 C GLU 25 -19.957 23.322 3.777 1.00 25.03 ATOM 375 O GLU 25 -18.847 23.095 4.263 1.00 54.22 ATOM 376 N ARG 26 -20.792 22.348 3.410 1.00 72.21 ATOM 377 HN ARG 26 -21.664 22.591 3.028 1.00 38.50 ATOM 378 CA ARG 26 -20.449 20.925 3.557 1.00 65.21 ATOM 379 HA ARG 26 -20.193 20.753 4.594 1.00 10.42 ATOM 380 CB ARG 26 -21.660 20.055 3.196 1.00 14.50 ATOM 381 HB1 ARG 26 -21.355 19.017 3.190 1.00 38.50 ATOM 382 HB2 ARG 26 -21.995 20.327 2.205 1.00 34.42 ATOM 383 CG ARG 26 -22.837 20.203 4.153 1.00 51.11 ATOM 384 HG1 ARG 26 -23.669 19.623 3.775 1.00 38.50 ATOM 385 HG2 ARG 26 -23.118 21.245 4.204 1.00 12.11 ATOM 386 CD ARG 26 -22.492 19.717 5.558 1.00 41.14 ATOM 387 HD1 ARG 26 -21.681 20.318 5.945 1.00 38.50 ATOM 388 HD2 ARG 26 -22.177 18.684 5.505 1.00 21.12 ATOM 389 NE ARG 26 -23.631 19.821 6.464 1.00 54.12 ATOM 390 HE ARG 26 -23.802 20.689 6.874 1.00 4.34 ATOM 391 CZ ARG 26 -24.431 18.832 6.762 1.00 55.33 ATOM 392 NH1 ARG 26 -24.248 17.651 6.256 1.00 25.45 ATOM 393 HH11 ARG 26 -23.486 17.487 5.633 1.00 22.30 ATOM 394 HH12 ARG 26 -24.879 16.911 6.483 1.00 44.12 ATOM 395 NH2 ARG 26 -25.410 19.027 7.581 1.00 5.32 ATOM 396 HH21 ARG 26 -25.546 19.929 7.982 1.00 32.21 ATOM 397 HH22 ARG 26 -26.033 18.279 7.801 1.00 63.25 ATOM 398 C ARG 26 -19.247 20.531 2.682 1.00 73.23 ATOM 399 O ARG 26 -18.432 19.692 3.071 1.00 61.21 ATOM 400 N ARG 27 -19.150 21.132 1.497 1.00 42.44 ATOM 401 HN ARG 27 -19.849 21.769 1.230 1.00 38.50 ATOM 402 CA ARG 27 -18.032 20.868 0.581 1.00 41.41 ATOM 403 HA ARG 27 -17.898 19.796 0.524 1.00 14.32 ATOM 404 CB ARG 27 -18.360 21.400 -0.823 1.00 2.51 ATOM 405 HB1 ARG 27 -17.511 21.228 -1.471 1.00 38.50 ATOM 406 HB2 ARG 27 -18.542 22.465 -0.759 1.00 60.31 ATOM 407 CG ARG 27 -19.586 20.744 -1.452 1.00 74.21 ATOM 408 HG1 ARG 27 -19.807 21.242 -2.386 1.00 38.50 ATOM 409 HG2 ARG 27 -20.423 20.856 -0.779 1.00 61.21 ATOM 410 CD ARG 27 -19.369 19.256 -1.722 1.00 15.33 ATOM 411 HD1 ARG 27 -20.303 18.823 -2.050 1.00 38.50 ATOM 412 HD2 ARG 27 -19.055 18.775 -0.805 1.00 4.53 ATOM 413 NE ARG 27 -18.353 19.030 -2.752 1.00 50.32 ATOM 414 HE ARG 27 -18.030 19.807 -3.252 1.00 4.00 ATOM 415 CZ ARG 27 -17.866 17.859 -3.063 1.00 4.43 ATOM 416 NH1 ARG 27 -18.238 16.797 -2.425 1.00 74.52 ATOM 417 HH11 ARG 27 -18.900 16.866 -1.689 1.00 74.33 ATOM 418 HH12 ARG 27 -17.856 15.909 -2.678 1.00 72.11 ATOM 419 NH2 ARG 27 -16.997 17.755 -4.016 1.00 21.40 ATOM 420 HH21 ARG 27 -16.698 18.570 -4.512 1.00 61.40 ATOM 421 HH22 ARG 27 -16.631 16.858 -4.259 1.00 44.51 ATOM 422 C ARG 27 -16.729 21.497 1.098 1.00 70.51 ATOM 423 O ARG 27 -15.651 20.912 0.971 1.00 64.50 ATOM 424 N ALA 28 -16.845 22.683 1.692 1.00 72.22 ATOM 425 HN ALA 28 -17.736 23.086 1.769 1.00 38.50 ATOM 426 CA ALA 28 -15.688 23.410 2.229 1.00 34.33 ATOM 427 HA ALA 28 -15.005 23.596 1.412 1.00 72.12 ATOM 428 CB ALA 28 -16.135 24.761 2.784 1.00 62.23 ATOM 429 HB1 ALA 28 -15.271 25.318 3.119 1.00 33.25 ATOM 430 HB2 ALA 28 -16.808 24.606 3.616 1.00 4.10 ATOM 431 HB3 ALA 28 -16.643 25.318 2.010 1.00 63.54 ATOM 432 C ALA 28 -14.955 22.603 3.311 1.00 50.55 ATOM 433 O ALA 28 -13.759 22.326 3.196 1.00 65.21 ATOM 434 N LEU 29 -15.680 22.223 4.359 1.00 54.12 ATOM 435 HN LEU 29 -16.629 22.470 4.397 1.00 38.50 ATOM 436 CA LEU 29 -15.092 21.454 5.461 1.00 35.34 ATOM 437 HA LEU 29 -14.221 22.001 5.796 1.00 5.33 ATOM 438 CB LEU 29 -16.087 21.361 6.637 1.00 20.42 ATOM 439 HB1 LEU 29 -16.181 22.348 7.067 1.00 38.50 ATOM 440 HB2 LEU 29 -15.661 20.707 7.386 1.00 71.30 ATOM 441 CG LEU 29 -17.505 20.848 6.299 1.00 2.42 ATOM 442 HG LEU 29 -17.786 21.229 5.326 1.00 53.35 ATOM 443 CD1 LEU 29 -17.554 19.323 6.222 1.00 74.02 ATOM 444 HD11 LEU 29 -16.900 18.978 5.433 1.00 33.35 ATOM 445 HD12 LEU 29 -18.566 19.006 6.012 1.00 32.34 ATOM 446 HD13 LEU 29 -17.234 18.901 7.164 1.00 30.23 ATOM 447 CD2 LEU 29 -18.526 21.372 7.310 1.00 35.31 ATOM 448 HD21 LEU 29 -18.282 21.008 8.297 1.00 44.15 ATOM 449 HD22 LEU 29 -19.514 21.031 7.035 1.00 42.11 ATOM 450 HD23 LEU 29 -18.510 22.452 7.312 1.00 62.22 ATOM 451 C LEU 29 -14.624 20.058 5.001 1.00 64.12 ATOM 452 O LEU 29 -13.708 19.477 5.583 1.00 71.34 ATOM 453 N ALA 30 -15.248 19.531 3.946 1.00 23.31 ATOM 454 HN ALA 30 -16.000 20.016 3.547 1.00 38.50 ATOM 455 CA ALA 30 -14.848 18.239 3.371 1.00 55.25 ATOM 456 HA ALA 30 -14.771 17.526 4.180 1.00 21.43 ATOM 457 CB ALA 30 -15.919 17.743 2.404 1.00 55.32 ATOM 458 HB1 ALA 30 -16.871 17.693 2.915 1.00 23.54 ATOM 459 HB2 ALA 30 -15.654 16.760 2.040 1.00 53.02 ATOM 460 HB3 ALA 30 -15.994 18.427 1.570 1.00 12.54 ATOM 461 C ALA 30 -13.486 18.335 2.660 1.00 72.25 ATOM 462 O ALA 30 -12.628 17.461 2.811 1.00 51.44 ATOM 463 N MET 31 -13.293 19.412 1.894 1.00 3.53 ATOM 464 HN MET 31 -14.018 20.069 1.808 1.00 38.50 ATOM 465 CA MET 31 -12.033 19.643 1.174 1.00 1.50 ATOM 466 HA MET 31 -11.625 18.678 0.906 1.00 10.13 ATOM 467 CB MET 31 -12.297 20.436 -0.109 1.00 61.25 ATOM 468 HB1 MET 31 -11.351 20.701 -0.559 1.00 38.50 ATOM 469 HB2 MET 31 -12.828 21.343 0.148 1.00 73.14 ATOM 470 CG MET 31 -13.121 19.677 -1.141 1.00 44.53 ATOM 471 HG1 MET 31 -13.306 20.329 -1.983 1.00 38.50 ATOM 472 HG2 MET 31 -14.064 19.399 -0.692 1.00 60.03 ATOM 473 SD MET 31 -12.298 18.179 -1.734 1.00 3.13 ATOM 474 CE MET 31 -10.798 18.856 -2.441 1.00 1.05 ATOM 475 HE1 MET 31 -10.197 18.050 -2.833 1.00 71.43 ATOM 476 HE2 MET 31 -10.246 19.380 -1.677 1.00 30.31 ATOM 477 HE3 MET 31 -11.048 19.540 -3.237 1.00 5.33 ATOM 478 C MET 31 -11.004 20.387 2.044 1.00 72.41 ATOM 479 O MET 31 -10.006 20.896 1.532 1.00 64.01 ATOM 480 N LYS 32 -11.262 20.445 3.353 1.00 4.13 ATOM 481 HN LYS 32 -12.111 20.081 3.679 1.00 38.50 ATOM 482 CA LYS 32 -10.322 21.028 4.324 1.00 55.33 ATOM 483 HA LYS 32 -10.773 20.934 5.302 1.00 22.15 ATOM 484 CB LYS 32 -9.001 20.238 4.315 1.00 45.44 ATOM 485 HB1 LYS 32 -8.354 20.626 5.089 1.00 38.50 ATOM 486 HB2 LYS 32 -8.522 20.376 3.357 1.00 32.13 ATOM 487 CG LYS 32 -9.185 18.739 4.548 1.00 74.11 ATOM 488 HG1 LYS 32 -9.864 18.352 3.801 1.00 38.50 ATOM 489 HG2 LYS 32 -9.609 18.585 5.530 1.00 13.33 ATOM 490 CD LYS 32 -7.864 17.977 4.455 1.00 14.04 ATOM 491 HD1 LYS 32 -7.408 18.184 3.497 1.00 38.50 ATOM 492 HD2 LYS 32 -8.065 16.918 4.536 1.00 24.20 ATOM 493 CE LYS 32 -6.894 18.377 5.561 1.00 40.33 ATOM 494 HE1 LYS 32 -6.673 19.432 5.469 1.00 38.50 ATOM 495 HE2 LYS 32 -5.982 17.809 5.445 1.00 23.12 ATOM 496 NZ LYS 32 -7.455 18.114 6.913 1.00 72.24 ATOM 497 HZ1 LYS 32 -7.778 17.128 6.982 1.00 11.14 ATOM 498 HZ2 LYS 32 -8.261 18.744 7.099 1.00 5.32 ATOM 499 HZ3 LYS 32 -6.727 18.279 7.639 1.00 10.13 ATOM 500 C LYS 32 -10.054 22.523 4.059 1.00 54.24 ATOM 501 O LYS 32 -8.903 22.947 3.917 1.00 72.34 ATOM 502 N ILE 33 -11.120 23.314 3.978 1.00 43.35 ATOM 503 HN ILE 33 -12.015 22.911 3.992 1.00 38.50 ATOM 504 CA ILE 33 -10.996 24.770 3.848 1.00 33.25 ATOM 505 HA ILE 33 -10.047 24.985 3.373 1.00 42.12 ATOM 506 CB ILE 33 -12.126 25.352 2.960 1.00 52.14 ATOM 507 HB ILE 33 -13.068 25.178 3.460 1.00 34.02 ATOM 508 CG1 ILE 33 -12.151 24.649 1.586 1.00 55.50 ATOM 509 HG11 ILE 33 -12.960 25.056 0.995 1.00 38.50 ATOM 510 HG12 ILE 33 -12.323 23.593 1.736 1.00 23.21 ATOM 511 CG2 ILE 33 -11.958 26.861 2.790 1.00 11.10 ATOM 512 HG21 ILE 33 -11.003 27.070 2.330 1.00 72.44 ATOM 513 HG22 ILE 33 -12.002 27.340 3.758 1.00 63.21 ATOM 514 HG23 ILE 33 -12.751 27.245 2.164 1.00 41.11 ATOM 515 CD1 ILE 33 -10.872 24.793 0.785 1.00 34.34 ATOM 516 HD11 ILE 33 -10.956 24.225 -0.132 1.00 72.23 ATOM 517 HD12 ILE 33 -10.038 24.419 1.362 1.00 44.12 ATOM 518 HD13 ILE 33 -10.708 25.834 0.548 1.00 54.32 ATOM 519 C ILE 33 -11.026 25.440 5.238 1.00 72.43 ATOM 520 O ILE 33 -12.051 25.423 5.921 1.00 41.34 ATOM 521 N PRO 34 -9.895 26.035 5.679 1.00 75.22 ATOM 522 CA PRO 34 -9.766 26.602 7.038 1.00 13.44 ATOM 523 HA PRO 34 -10.135 25.912 7.784 1.00 35.21 ATOM 524 CB PRO 34 -8.248 26.746 7.193 1.00 30.42 ATOM 525 HB1 PRO 34 -7.838 25.833 7.597 1.00 38.50 ATOM 526 HB2 PRO 34 -8.021 27.572 7.854 1.00 22.42 ATOM 527 CG PRO 34 -7.753 26.996 5.806 1.00 11.34 ATOM 528 HG1 PRO 34 -6.728 26.665 5.714 1.00 38.50 ATOM 529 HG2 PRO 34 -7.830 28.049 5.569 1.00 53.40 ATOM 530 CD PRO 34 -8.648 26.189 4.897 1.00 23.14 ATOM 531 HD1 PRO 34 -8.205 25.226 4.692 1.00 38.50 ATOM 532 HD2 PRO 34 -8.834 26.724 3.975 1.00 0.12 ATOM 533 C PRO 34 -10.461 27.966 7.229 1.00 62.12 ATOM 534 O PRO 34 -10.621 28.430 8.361 1.00 64.44 ATOM 535 N PHE 35 -10.869 28.601 6.128 1.00 1.13 ATOM 536 HN PHE 35 -10.751 28.167 5.260 1.00 38.50 ATOM 537 CA PHE 35 -11.508 29.926 6.186 1.00 10.31 ATOM 538 HA PHE 35 -11.487 30.248 7.218 1.00 32.44 ATOM 539 CB PHE 35 -10.713 30.944 5.345 1.00 22.50 ATOM 540 HB1 PHE 35 -9.783 31.163 5.853 1.00 38.50 ATOM 541 HB2 PHE 35 -11.286 31.857 5.261 1.00 61.53 ATOM 542 CG PHE 35 -10.377 30.479 3.947 1.00 61.24 ATOM 543 CD1 PHE 35 -9.196 29.793 3.697 1.00 72.32 ATOM 544 HD1 PHE 35 -8.520 29.589 4.513 1.00 23.41 ATOM 545 CD2 PHE 35 -11.234 30.732 2.884 1.00 2.24 ATOM 546 HD2 PHE 35 -12.157 31.263 3.061 1.00 52.32 ATOM 547 CE1 PHE 35 -8.880 29.370 2.421 1.00 71.20 ATOM 548 HE1 PHE 35 -7.957 28.838 2.241 1.00 3.32 ATOM 549 CE2 PHE 35 -10.921 30.309 1.607 1.00 41.12 ATOM 550 HE2 PHE 35 -11.597 30.512 0.787 1.00 12.42 ATOM 551 CZ PHE 35 -9.743 29.629 1.375 1.00 33.51 ATOM 552 HZ PHE 35 -9.497 29.300 0.376 1.00 24.43 ATOM 553 C PHE 35 -12.984 29.871 5.737 1.00 40.52 ATOM 554 O PHE 35 -13.339 29.120 4.826 1.00 41.45 ATOM 555 N PRO 36 -13.860 30.682 6.374 1.00 4.53 ATOM 556 CA PRO 36 -15.318 30.649 6.125 1.00 73.52 ATOM 557 HA PRO 36 -15.715 29.660 6.302 1.00 14.14 ATOM 558 CB PRO 36 -15.880 31.618 7.179 1.00 64.52 ATOM 559 HB1 PRO 36 -16.187 31.063 8.055 1.00 38.50 ATOM 560 HB2 PRO 36 -16.728 32.154 6.773 1.00 73.15 ATOM 561 CG PRO 36 -14.747 32.536 7.490 1.00 3.31 ATOM 562 HG1 PRO 36 -14.853 32.932 8.490 1.00 38.50 ATOM 563 HG2 PRO 36 -14.716 33.342 6.768 1.00 63.00 ATOM 564 CD PRO 36 -13.503 31.694 7.389 1.00 72.21 ATOM 565 HD1 PRO 36 -13.283 31.226 8.337 1.00 38.50 ATOM 566 HD2 PRO 36 -12.664 32.294 7.059 1.00 61.13 ATOM 567 C PRO 36 -15.722 31.102 4.708 1.00 24.34 ATOM 568 O PRO 36 -15.102 31.988 4.113 1.00 14.42 ATOM 569 N THR 37 -16.800 30.506 4.195 1.00 33.23 ATOM 570 HN THR 37 -17.275 29.841 4.740 1.00 38.50 ATOM 571 CA THR 37 -17.308 30.810 2.848 1.00 74.31 ATOM 572 HA THR 37 -16.499 30.657 2.149 1.00 1.22 ATOM 573 CB THR 37 -18.468 29.862 2.457 1.00 73.24 ATOM 574 HB THR 37 -18.801 30.114 1.459 1.00 11.22 ATOM 575 OG1 THR 37 -19.562 30.025 3.369 1.00 5.45 ATOM 576 HG1 THR 37 -20.342 29.573 3.022 1.00 42.44 ATOM 577 CG2 THR 37 -18.013 28.404 2.466 1.00 14.31 ATOM 578 HG21 THR 37 -17.194 28.275 1.771 1.00 51.52 ATOM 579 HG22 THR 37 -18.835 27.769 2.171 1.00 12.33 ATOM 580 HG23 THR 37 -17.688 28.131 3.460 1.00 24.13 ATOM 581 C THR 37 -17.792 32.263 2.727 1.00 45.40 ATOM 582 O THR 37 -17.675 32.878 1.665 1.00 40.32 ATOM 583 N ASP 38 -18.336 32.808 3.817 1.00 64.25 ATOM 584 HN ASP 38 -18.459 32.252 4.615 1.00 38.50 ATOM 585 CA ASP 38 -18.781 34.207 3.847 1.00 61.35 ATOM 586 HA ASP 38 -19.565 34.319 3.108 1.00 33.23 ATOM 587 CB ASP 38 -19.351 34.546 5.227 1.00 64.42 ATOM 588 HB1 ASP 38 -19.655 35.583 5.243 1.00 38.50 ATOM 589 HB2 ASP 38 -18.586 34.388 5.975 1.00 64.03 ATOM 590 CG ASP 38 -20.551 33.684 5.571 1.00 54.12 ATOM 591 OD1 ASP 38 -20.360 32.581 6.117 1.00 61.10 ATOM 592 OD2 ASP 38 -21.695 34.101 5.287 1.00 52.52 ATOM 593 C ASP 38 -17.635 35.171 3.492 1.00 32.20 ATOM 594 O ASP 38 -17.849 36.203 2.853 1.00 55.04 ATOM 595 N LYS 39 -16.419 34.828 3.911 1.00 35.14 ATOM 596 HN LYS 39 -16.316 34.026 4.463 1.00 38.50 ATOM 597 CA LYS 39 -15.234 35.613 3.558 1.00 61.32 ATOM 598 HA LYS 39 -15.453 36.649 3.766 1.00 20.21 ATOM 599 CB LYS 39 -14.031 35.173 4.410 1.00 32.03 ATOM 600 HB1 LYS 39 -13.855 34.119 4.247 1.00 38.50 ATOM 601 HB2 LYS 39 -14.272 35.328 5.453 1.00 13.25 ATOM 602 CG LYS 39 -12.736 35.927 4.101 1.00 60.44 ATOM 603 HG1 LYS 39 -12.923 36.989 4.180 1.00 38.50 ATOM 604 HG2 LYS 39 -12.428 35.693 3.090 1.00 32.44 ATOM 605 CD LYS 39 -11.601 35.549 5.057 1.00 51.33 ATOM 606 HD1 LYS 39 -10.693 36.040 4.731 1.00 38.50 ATOM 607 HD2 LYS 39 -11.458 34.479 5.027 1.00 60.22 ATOM 608 CE LYS 39 -11.898 35.967 6.497 1.00 23.13 ATOM 609 HE1 LYS 39 -12.737 35.394 6.864 1.00 38.50 ATOM 610 HE2 LYS 39 -12.148 37.018 6.511 1.00 65.32 ATOM 611 NZ LYS 39 -10.732 35.742 7.395 1.00 34.34 ATOM 612 HZ1 LYS 39 -9.908 36.275 7.048 1.00 43.00 ATOM 613 HZ2 LYS 39 -10.485 34.732 7.425 1.00 11.01 ATOM 614 HZ3 LYS 39 -10.953 36.062 8.360 1.00 4.42 ATOM 615 C LYS 39 -14.924 35.470 2.061 1.00 74.31 ATOM 616 O LYS 39 -14.629 36.450 1.381 1.00 44.32 ATOM 617 N ILE 40 -15.029 34.241 1.561 1.00 13.25 ATOM 618 HN ILE 40 -15.274 33.508 2.164 1.00 38.50 ATOM 619 CA ILE 40 -14.799 33.937 0.141 1.00 23.31 ATOM 620 HA ILE 40 -13.759 34.133 -0.083 1.00 71.03 ATOM 621 CB ILE 40 -15.089 32.438 -0.144 1.00 40.10 ATOM 622 HB ILE 40 -16.122 32.248 0.107 1.00 60.02 ATOM 623 CG1 ILE 40 -14.195 31.541 0.725 1.00 10.33 ATOM 624 HG11 ILE 40 -14.363 31.775 1.766 1.00 38.50 ATOM 625 HG12 ILE 40 -13.160 31.730 0.481 1.00 41.20 ATOM 626 CG2 ILE 40 -14.905 32.112 -1.625 1.00 35.33 ATOM 627 HG21 ILE 40 -15.542 32.752 -2.220 1.00 43.04 ATOM 628 HG22 ILE 40 -15.169 31.080 -1.803 1.00 71.42 ATOM 629 HG23 ILE 40 -13.874 32.270 -1.903 1.00 1.30 ATOM 630 CD1 ILE 40 -14.449 30.057 0.535 1.00 40.25 ATOM 631 HD11 ILE 40 -15.481 29.836 0.765 1.00 13.00 ATOM 632 HD12 ILE 40 -13.806 29.494 1.193 1.00 74.34 ATOM 633 HD13 ILE 40 -14.242 29.783 -0.490 1.00 3.44 ATOM 634 C ILE 40 -15.687 34.796 -0.783 1.00 53.11 ATOM 635 O ILE 40 -15.211 35.391 -1.751 1.00 52.21 ATOM 636 N VAL 41 -16.981 34.852 -0.472 1.00 74.44 ATOM 637 HN VAL 41 -17.289 34.401 0.343 1.00 38.50 ATOM 638 CA VAL 41 -17.963 35.561 -1.307 1.00 45.01 ATOM 639 HA VAL 41 -17.840 35.222 -2.326 1.00 24.45 ATOM 640 CB VAL 41 -19.408 35.220 -0.856 1.00 70.10 ATOM 641 HB VAL 41 -19.554 35.616 0.141 1.00 45.42 ATOM 642 CG1 VAL 41 -20.441 35.867 -1.777 1.00 64.34 ATOM 643 HG11 VAL 41 -20.292 36.937 -1.791 1.00 50.03 ATOM 644 HG12 VAL 41 -21.435 35.649 -1.415 1.00 33.35 ATOM 645 HG13 VAL 41 -20.328 35.475 -2.779 1.00 73.25 ATOM 646 CG2 VAL 41 -19.610 33.708 -0.797 1.00 11.15 ATOM 647 HG21 VAL 41 -19.451 33.283 -1.777 1.00 34.41 ATOM 648 HG22 VAL 41 -20.616 33.492 -0.470 1.00 2.33 ATOM 649 HG23 VAL 41 -18.908 33.277 -0.098 1.00 63.42 ATOM 650 C VAL 41 -17.781 37.091 -1.266 1.00 22.13 ATOM 651 O VAL 41 -17.983 37.784 -2.269 1.00 0.42 ATOM 652 N ASN 42 -17.399 37.614 -0.105 1.00 61.41 ATOM 653 HN ASN 42 -17.140 37.010 0.625 1.00 38.50 ATOM 654 CA ASN 42 -17.354 39.068 0.118 1.00 41.02 ATOM 655 HA ASN 42 -18.121 39.510 -0.503 1.00 45.53 ATOM 656 CB ASN 42 -17.698 39.364 1.580 1.00 34.53 ATOM 657 HB1 ASN 42 -17.454 40.392 1.809 1.00 38.50 ATOM 658 HB2 ASN 42 -17.124 38.710 2.222 1.00 1.43 ATOM 659 CG ASN 42 -19.177 39.147 1.859 1.00 11.43 ATOM 660 OD1 ASN 42 -20.032 39.554 1.078 1.00 72.31 ATOM 661 ND2 ASN 42 -19.493 38.466 2.940 1.00 53.14 ATOM 662 HD21 ASN 42 -18.770 38.133 3.504 1.00 63.40 ATOM 663 HD22 ASN 42 -20.444 38.319 3.129 1.00 14.33 ATOM 664 C ASN 42 -16.009 39.712 -0.274 1.00 24.11 ATOM 665 O ASN 42 -15.858 40.935 -0.194 1.00 65.15 ATOM 666 N LEU 43 -15.041 38.907 -0.707 1.00 42.14 ATOM 667 HN LEU 43 -15.174 37.935 -0.675 1.00 38.50 ATOM 668 CA LEU 43 -13.770 39.444 -1.221 1.00 34.22 ATOM 669 HA LEU 43 -13.580 40.380 -0.710 1.00 42.15 ATOM 670 CB LEU 43 -12.610 38.479 -0.927 1.00 35.31 ATOM 671 HB1 LEU 43 -11.729 38.840 -1.444 1.00 38.50 ATOM 672 HB2 LEU 43 -12.869 37.509 -1.329 1.00 75.03 ATOM 673 CG LEU 43 -12.255 38.307 0.559 1.00 34.23 ATOM 674 HG LEU 43 -13.109 37.895 1.079 1.00 31.23 ATOM 675 CD1 LEU 43 -11.094 37.332 0.724 1.00 24.45 ATOM 676 HD11 LEU 43 -10.212 37.732 0.244 1.00 12.04 ATOM 677 HD12 LEU 43 -11.352 36.388 0.269 1.00 5.02 ATOM 678 HD13 LEU 43 -10.894 37.181 1.775 1.00 75.22 ATOM 679 CD2 LEU 43 -11.922 39.655 1.198 1.00 43.52 ATOM 680 HD21 LEU 43 -11.670 39.509 2.238 1.00 41.25 ATOM 681 HD22 LEU 43 -12.779 40.311 1.127 1.00 50.14 ATOM 682 HD23 LEU 43 -11.083 40.103 0.684 1.00 3.54 ATOM 683 C LEU 43 -13.852 39.721 -2.735 1.00 43.13 ATOM 684 O LEU 43 -14.421 38.928 -3.488 1.00 71.11 ATOM 685 N PRO 44 -13.320 40.872 -3.203 1.00 33.31 ATOM 686 CA PRO 44 -13.255 41.190 -4.643 1.00 30.23 ATOM 687 HA PRO 44 -14.212 41.040 -5.125 1.00 15.32 ATOM 688 CB PRO 44 -12.894 42.681 -4.654 1.00 71.42 ATOM 689 HB1 PRO 44 -13.797 43.272 -4.675 1.00 38.50 ATOM 690 HB2 PRO 44 -12.290 42.909 -5.522 1.00 24.34 ATOM 691 CG PRO 44 -12.139 42.891 -3.387 1.00 11.14 ATOM 692 HG1 PRO 44 -12.243 43.917 -3.063 1.00 38.50 ATOM 693 HG2 PRO 44 -11.095 42.651 -3.538 1.00 51.14 ATOM 694 CD PRO 44 -12.750 41.956 -2.373 1.00 65.42 ATOM 695 HD1 PRO 44 -13.527 42.460 -1.813 1.00 38.50 ATOM 696 HD2 PRO 44 -11.990 41.575 -1.706 1.00 71.35 ATOM 697 C PRO 44 -12.185 40.360 -5.372 1.00 64.52 ATOM 698 O PRO 44 -11.377 39.691 -4.733 1.00 74.33 ATOM 699 N VAL 45 -12.168 40.424 -6.708 1.00 23.13 ATOM 700 HN VAL 45 -12.788 41.038 -7.164 1.00 38.50 ATOM 701 CA VAL 45 -11.250 39.603 -7.517 1.00 32.43 ATOM 702 HA VAL 45 -11.585 38.577 -7.435 1.00 3.41 ATOM 703 CB VAL 45 -11.316 40.003 -9.018 1.00 2.14 ATOM 704 HB VAL 45 -12.338 39.882 -9.352 1.00 64.01 ATOM 705 CG1 VAL 45 -10.937 41.468 -9.217 1.00 35.01 ATOM 706 HG11 VAL 45 -11.025 41.725 -10.263 1.00 45.21 ATOM 707 HG12 VAL 45 -9.918 41.628 -8.892 1.00 23.14 ATOM 708 HG13 VAL 45 -11.602 42.094 -8.639 1.00 1.42 ATOM 709 CG2 VAL 45 -10.433 39.089 -9.868 1.00 63.50 ATOM 710 HG21 VAL 45 -10.765 38.065 -9.761 1.00 44.41 ATOM 711 HG22 VAL 45 -9.406 39.169 -9.537 1.00 12.35 ATOM 712 HG23 VAL 45 -10.500 39.381 -10.906 1.00 41.41 ATOM 713 C VAL 45 -9.789 39.678 -7.016 1.00 55.02 ATOM 714 O VAL 45 -9.131 38.652 -6.851 1.00 60.24 ATOM 715 N ASP 46 -9.303 40.889 -6.743 1.00 3.24 ATOM 716 HN ASP 46 -9.884 41.670 -6.853 1.00 38.50 ATOM 717 CA ASP 46 -7.920 41.090 -6.292 1.00 23.32 ATOM 718 HA ASP 46 -7.268 40.660 -7.040 1.00 4.10 ATOM 719 CB ASP 46 -7.622 42.586 -6.187 1.00 65.33 ATOM 720 HB1 ASP 46 -6.599 42.723 -5.863 1.00 38.50 ATOM 721 HB2 ASP 46 -8.287 43.031 -5.460 1.00 41.03 ATOM 722 CG ASP 46 -7.807 43.296 -7.515 1.00 65.43 ATOM 723 OD1 ASP 46 -8.932 43.750 -7.800 1.00 2.23 ATOM 724 OD2 ASP 46 -6.830 43.387 -8.287 1.00 61.13 ATOM 725 C ASP 46 -7.643 40.397 -4.947 1.00 42.10 ATOM 726 O ASP 46 -6.821 39.478 -4.873 1.00 72.42 ATOM 727 N ASP 47 -8.339 40.831 -3.893 1.00 42.14 ATOM 728 HN ASP 47 -8.972 41.572 -4.013 1.00 38.50 ATOM 729 CA ASP 47 -8.180 40.244 -2.555 1.00 12.45 ATOM 730 HA ASP 47 -7.159 40.416 -2.240 1.00 71.33 ATOM 731 CB ASP 47 -9.124 40.936 -1.566 1.00 22.40 ATOM 732 HB1 ASP 47 -9.077 40.427 -0.613 1.00 38.50 ATOM 733 HB2 ASP 47 -10.134 40.882 -1.947 1.00 74.51 ATOM 734 CG ASP 47 -8.768 42.398 -1.355 1.00 60.35 ATOM 735 OD1 ASP 47 -8.233 42.739 -0.280 1.00 33.22 ATOM 736 OD2 ASP 47 -9.010 43.215 -2.269 1.00 35.21 ATOM 737 C ASP 47 -8.441 38.727 -2.561 1.00 4.00 ATOM 738 O ASP 47 -7.810 37.977 -1.814 1.00 61.44 ATOM 739 N PHE 48 -9.368 38.290 -3.412 1.00 73.13 ATOM 740 HN PHE 48 -9.856 38.944 -3.954 1.00 38.50 ATOM 741 CA PHE 48 -9.693 36.866 -3.560 1.00 0.02 ATOM 742 HA PHE 48 -9.975 36.489 -2.587 1.00 53.02 ATOM 743 CB PHE 48 -10.882 36.703 -4.519 1.00 52.54 ATOM 744 HB1 PHE 48 -10.633 37.155 -5.471 1.00 38.50 ATOM 745 HB2 PHE 48 -11.739 37.213 -4.104 1.00 14.44 ATOM 746 CG PHE 48 -11.276 35.269 -4.773 1.00 0.01 ATOM 747 CD1 PHE 48 -10.791 34.585 -5.880 1.00 73.21 ATOM 748 HD1 PHE 48 -10.125 35.090 -6.564 1.00 45.31 ATOM 749 CD2 PHE 48 -12.129 34.606 -3.904 1.00 0.45 ATOM 750 HD2 PHE 48 -12.514 35.125 -3.038 1.00 14.11 ATOM 751 CE1 PHE 48 -11.148 33.273 -6.113 1.00 20.11 ATOM 752 HE1 PHE 48 -10.765 32.753 -6.978 1.00 34.11 ATOM 753 CE2 PHE 48 -12.487 33.293 -4.134 1.00 15.55 ATOM 754 HE2 PHE 48 -13.154 32.787 -3.453 1.00 55.35 ATOM 755 CZ PHE 48 -11.997 32.627 -5.239 1.00 54.33 ATOM 756 HZ PHE 48 -12.278 31.600 -5.419 1.00 12.43 ATOM 757 C PHE 48 -8.483 36.063 -4.073 1.00 71.21 ATOM 758 O PHE 48 -8.095 35.053 -3.480 1.00 53.52 ATOM 759 N ASN 49 -7.891 36.520 -5.176 1.00 52.33 ATOM 760 HN ASN 49 -8.251 37.323 -5.613 1.00 38.50 ATOM 761 CA ASN 49 -6.717 35.855 -5.757 1.00 64.31 ATOM 762 HA ASN 49 -6.989 34.830 -5.964 1.00 62.33 ATOM 763 CB ASN 49 -6.311 36.534 -7.070 1.00 24.14 ATOM 764 HB1 ASN 49 -5.469 36.007 -7.496 1.00 38.50 ATOM 765 HB2 ASN 49 -6.022 37.556 -6.865 1.00 71.24 ATOM 766 CG ASN 49 -7.434 36.550 -8.094 1.00 34.42 ATOM 767 OD1 ASN 49 -8.311 35.691 -8.099 1.00 14.32 ATOM 768 ND2 ASN 49 -7.407 37.520 -8.982 1.00 41.32 ATOM 769 HD21 ASN 49 -6.673 38.168 -8.940 1.00 53.04 ATOM 770 HD22 ASN 49 -8.120 37.552 -9.649 1.00 13.33 ATOM 771 C ASN 49 -5.535 35.857 -4.774 1.00 43.51 ATOM 772 O ASN 49 -4.689 34.960 -4.794 1.00 4.34 ATOM 773 N GLU 50 -5.482 36.877 -3.921 1.00 72.23 ATOM 774 HN GLU 50 -6.136 37.602 -4.010 1.00 38.50 ATOM 775 CA GLU 50 -4.474 36.948 -2.860 1.00 45.21 ATOM 776 HA GLU 50 -3.515 36.701 -3.296 1.00 35.34 ATOM 777 CB GLU 50 -4.405 38.367 -2.279 1.00 55.11 ATOM 778 HB1 GLU 50 -3.643 38.395 -1.513 1.00 38.50 ATOM 779 HB2 GLU 50 -5.361 38.607 -1.831 1.00 41.12 ATOM 780 CG GLU 50 -4.082 39.436 -3.316 1.00 13.02 ATOM 781 HG1 GLU 50 -4.870 39.450 -4.056 1.00 38.50 ATOM 782 HG2 GLU 50 -3.148 39.181 -3.798 1.00 51.13 ATOM 783 CD GLU 50 -3.959 40.825 -2.714 1.00 10.54 ATOM 784 OE1 GLU 50 -2.818 41.322 -2.579 1.00 23.43 ATOM 785 OE2 GLU 50 -4.995 41.426 -2.368 1.00 62.11 ATOM 786 C GLU 50 -4.786 35.937 -1.746 1.00 52.45 ATOM 787 O GLU 50 -3.889 35.275 -1.225 1.00 72.13 ATOM 788 N LEU 51 -6.068 35.817 -1.396 1.00 20.33 ATOM 789 HN LEU 51 -6.733 36.388 -1.833 1.00 38.50 ATOM 790 CA LEU 51 -6.519 34.851 -0.382 1.00 42.43 ATOM 791 HA LEU 51 -6.115 35.154 0.573 1.00 4.23 ATOM 792 CB LEU 51 -8.055 34.850 -0.305 1.00 73.24 ATOM 793 HB1 LEU 51 -8.442 34.581 -1.279 1.00 38.50 ATOM 794 HB2 LEU 51 -8.381 35.856 -0.079 1.00 33.40 ATOM 795 CG LEU 51 -8.675 33.898 0.736 1.00 0.12 ATOM 796 HG LEU 51 -8.248 32.913 0.605 1.00 73.52 ATOM 797 CD1 LEU 51 -8.355 34.355 2.157 1.00 13.14 ATOM 798 HD11 LEU 51 -8.801 33.672 2.865 1.00 65.53 ATOM 799 HD12 LEU 51 -8.751 35.347 2.317 1.00 35.30 ATOM 800 HD13 LEU 51 -7.285 34.368 2.297 1.00 65.02 ATOM 801 CD2 LEU 51 -10.186 33.783 0.535 1.00 53.24 ATOM 802 HD21 LEU 51 -10.588 33.055 1.226 1.00 23.11 ATOM 803 HD22 LEU 51 -10.393 33.470 -0.478 1.00 11.33 ATOM 804 HD23 LEU 51 -10.649 34.742 0.716 1.00 54.12 ATOM 805 C LEU 51 -6.017 33.435 -0.711 1.00 52.04 ATOM 806 O LEU 51 -5.465 32.742 0.145 1.00 41.25 ATOM 807 N LEU 52 -6.203 33.027 -1.965 1.00 42.35 ATOM 808 HN LEU 52 -6.669 33.623 -2.592 1.00 38.50 ATOM 809 CA LEU 52 -5.744 31.713 -2.437 1.00 24.14 ATOM 810 HA LEU 52 -6.266 30.955 -1.869 1.00 13.24 ATOM 811 CB LEU 52 -6.088 31.546 -3.924 1.00 24.22 ATOM 812 HB1 LEU 52 -5.730 30.579 -4.248 1.00 38.50 ATOM 813 HB2 LEU 52 -5.558 32.308 -4.479 1.00 51.13 ATOM 814 CG LEU 52 -7.583 31.645 -4.272 1.00 20.42 ATOM 815 HG LEU 52 -7.953 32.614 -3.962 1.00 12.11 ATOM 816 CD1 LEU 52 -7.796 31.527 -5.780 1.00 55.31 ATOM 817 HD11 LEU 52 -7.401 30.583 -6.127 1.00 31.50 ATOM 818 HD12 LEU 52 -7.286 32.336 -6.281 1.00 40.32 ATOM 819 HD13 LEU 52 -8.853 31.579 -6.001 1.00 25.40 ATOM 820 CD2 LEU 52 -8.386 30.577 -3.530 1.00 51.23 ATOM 821 HD21 LEU 52 -8.000 29.597 -3.772 1.00 11.01 ATOM 822 HD22 LEU 52 -9.424 30.636 -3.826 1.00 63.51 ATOM 823 HD23 LEU 52 -8.309 30.740 -2.465 1.00 23.40 ATOM 824 C LEU 52 -4.229 31.530 -2.232 1.00 51.52 ATOM 825 O LEU 52 -3.760 30.445 -1.889 1.00 73.34 ATOM 826 N ALA 53 -3.472 32.606 -2.434 1.00 35.41 ATOM 827 HN ALA 53 -3.905 33.455 -2.662 1.00 38.50 ATOM 828 CA ALA 53 -2.008 32.563 -2.324 1.00 53.41 ATOM 829 HA ALA 53 -1.669 31.644 -2.785 1.00 50.31 ATOM 830 CB ALA 53 -1.395 33.726 -3.100 1.00 50.00 ATOM 831 HB1 ALA 53 -1.720 33.682 -4.130 1.00 12.32 ATOM 832 HB2 ALA 53 -0.317 33.661 -3.061 1.00 2.53 ATOM 833 HB3 ALA 53 -1.714 34.662 -2.663 1.00 13.14 ATOM 834 C ALA 53 -1.523 32.585 -0.862 1.00 60.23 ATOM 835 O ALA 53 -0.382 32.222 -0.575 1.00 31.34 ATOM 836 N ARG 54 -2.391 33.008 0.058 1.00 4.21 ATOM 837 HN ARG 54 -3.301 33.247 -0.222 1.00 38.50 ATOM 838 CA ARG 54 -2.022 33.125 1.479 1.00 50.15 ATOM 839 HA ARG 54 -0.964 33.343 1.527 1.00 21.32 ATOM 840 CB ARG 54 -2.790 34.283 2.137 1.00 42.32 ATOM 841 HB1 ARG 54 -2.532 34.323 3.187 1.00 38.50 ATOM 842 HB2 ARG 54 -3.853 34.097 2.045 1.00 3.45 ATOM 843 CG ARG 54 -2.487 35.647 1.519 1.00 32.13 ATOM 844 HG1 ARG 54 -2.765 35.629 0.473 1.00 38.50 ATOM 845 HG2 ARG 54 -1.428 35.840 1.606 1.00 54.03 ATOM 846 CD ARG 54 -3.247 36.772 2.216 1.00 74.35 ATOM 847 HD1 ARG 54 -4.303 36.543 2.192 1.00 38.50 ATOM 848 HD2 ARG 54 -3.069 37.693 1.681 1.00 22.23 ATOM 849 NE ARG 54 -2.826 36.942 3.607 1.00 12.13 ATOM 850 HE ARG 54 -2.394 36.182 4.045 1.00 64.15 ATOM 851 CZ ARG 54 -2.984 38.041 4.297 1.00 1.41 ATOM 852 NH1 ARG 54 -3.534 39.088 3.765 1.00 53.14 ATOM 853 HH11 ARG 54 -3.843 39.065 2.817 1.00 42.04 ATOM 854 HH12 ARG 54 -3.650 39.918 4.306 1.00 73.14 ATOM 855 NH2 ARG 54 -2.580 38.088 5.522 1.00 24.34 ATOM 856 HH21 ARG 54 -2.153 37.287 5.935 1.00 61.44 ATOM 857 HH22 ARG 54 -2.684 38.931 6.049 1.00 0.42 ATOM 858 C ARG 54 -2.279 31.822 2.256 1.00 73.44 ATOM 859 O ARG 54 -1.958 31.724 3.442 1.00 53.21 ATOM 860 N TYR 55 -2.860 30.827 1.590 1.00 21.23 ATOM 861 HN TYR 55 -3.097 30.959 0.647 1.00 38.50 ATOM 862 CA TYR 55 -3.155 29.537 2.227 1.00 31.30 ATOM 863 HA TYR 55 -2.652 29.522 3.185 1.00 50.22 ATOM 864 CB TYR 55 -4.668 29.393 2.462 1.00 4.13 ATOM 865 HB1 TYR 55 -4.885 28.380 2.777 1.00 38.50 ATOM 866 HB2 TYR 55 -5.188 29.592 1.536 1.00 3.11 ATOM 867 CG TYR 55 -5.215 30.342 3.517 1.00 2.33 ATOM 868 CD1 TYR 55 -5.290 29.959 4.855 1.00 0.33 ATOM 869 HD1 TYR 55 -4.962 28.969 5.139 1.00 23.31 ATOM 870 CD2 TYR 55 -5.647 31.621 3.177 1.00 20.05 ATOM 871 HD2 TYR 55 -5.600 31.936 2.143 1.00 20.43 ATOM 872 CE1 TYR 55 -5.776 30.822 5.818 1.00 54.14 ATOM 873 HE1 TYR 55 -5.827 30.505 6.849 1.00 11.15 ATOM 874 CE2 TYR 55 -6.136 32.488 4.137 1.00 43.51 ATOM 875 HE2 TYR 55 -6.464 33.479 3.852 1.00 11.33 ATOM 876 CZ TYR 55 -6.197 32.085 5.455 1.00 14.30 ATOM 877 OH TYR 55 -6.675 32.945 6.417 1.00 51.51 ATOM 878 HH TYR 55 -6.105 32.898 7.194 1.00 62.02 ATOM 879 C TYR 55 -2.635 28.359 1.385 1.00 12.12 ATOM 880 O TYR 55 -2.773 28.354 0.161 1.00 11.02 ATOM 881 N PRO 56 -2.023 27.343 2.031 1.00 1.43 ATOM 882 CA PRO 56 -1.510 26.150 1.335 1.00 22.34 ATOM 883 HA PRO 56 -0.868 26.428 0.511 1.00 32.24 ATOM 884 CB PRO 56 -0.676 25.423 2.414 1.00 12.41 ATOM 885 HB1 PRO 56 0.293 25.167 2.010 1.00 38.50 ATOM 886 HB2 PRO 56 -1.185 24.520 2.722 1.00 2.33 ATOM 887 CG PRO 56 -0.553 26.387 3.549 1.00 33.25 ATOM 888 HG1 PRO 56 0.349 26.975 3.436 1.00 38.50 ATOM 889 HG2 PRO 56 -0.533 25.849 4.489 1.00 20.13 ATOM 890 CD PRO 56 -1.767 27.270 3.476 1.00 33.31 ATOM 891 HD1 PRO 56 -1.552 28.247 3.884 1.00 38.50 ATOM 892 HD2 PRO 56 -2.600 26.815 3.995 1.00 30.03 ATOM 893 C PRO 56 -2.636 25.244 0.803 1.00 25.43 ATOM 894 O PRO 56 -2.918 24.178 1.359 1.00 43.41 ATOM 895 N LEU 57 -3.289 25.688 -0.269 1.00 20.05 ATOM 896 HN LEU 57 -3.020 26.544 -0.666 1.00 38.50 ATOM 897 CA LEU 57 -4.400 24.944 -0.870 1.00 24.44 ATOM 898 HA LEU 57 -4.740 24.212 -0.151 1.00 70.31 ATOM 899 CB LEU 57 -5.565 25.898 -1.188 1.00 43.32 ATOM 900 HB1 LEU 57 -6.380 25.309 -1.586 1.00 38.50 ATOM 901 HB2 LEU 57 -5.242 26.589 -1.959 1.00 30.44 ATOM 902 CG LEU 57 -6.104 26.717 -0.002 1.00 42.55 ATOM 903 HG LEU 57 -5.304 27.326 0.394 1.00 24.11 ATOM 904 CD1 LEU 57 -7.219 27.653 -0.459 1.00 53.52 ATOM 905 HD11 LEU 57 -8.036 27.073 -0.866 1.00 71.41 ATOM 906 HD12 LEU 57 -6.840 28.321 -1.220 1.00 15.51 ATOM 907 HD13 LEU 57 -7.572 28.232 0.380 1.00 4.51 ATOM 908 CD2 LEU 57 -6.594 25.800 1.121 1.00 15.04 ATOM 909 HD21 LEU 57 -5.781 25.170 1.456 1.00 64.11 ATOM 910 HD22 LEU 57 -7.401 25.181 0.758 1.00 61.11 ATOM 911 HD23 LEU 57 -6.946 26.400 1.950 1.00 44.24 ATOM 912 C LEU 57 -3.966 24.212 -2.152 1.00 65.32 ATOM 913 O LEU 57 -3.069 24.660 -2.868 1.00 44.21 ATOM 914 N THR 58 -4.607 23.082 -2.432 1.00 33.22 ATOM 915 HN THR 58 -5.258 22.733 -1.788 1.00 38.50 ATOM 916 CA THR 58 -4.366 22.337 -3.679 1.00 53.42 ATOM 917 HA THR 58 -3.324 22.450 -3.948 1.00 5.25 ATOM 918 CB THR 58 -4.670 20.828 -3.509 1.00 25.11 ATOM 919 HB THR 58 -4.368 20.309 -4.408 1.00 34.40 ATOM 920 OG1 THR 58 -6.077 20.621 -3.303 1.00 54.12 ATOM 921 HG1 THR 58 -6.215 19.761 -2.880 1.00 14.21 ATOM 922 CG2 THR 58 -3.896 20.247 -2.332 1.00 15.34 ATOM 923 HG21 THR 58 -4.139 19.200 -2.222 1.00 75.13 ATOM 924 HG22 THR 58 -4.165 20.774 -1.427 1.00 5.34 ATOM 925 HG23 THR 58 -2.835 20.353 -2.509 1.00 61.43 ATOM 926 C THR 58 -5.242 22.884 -4.809 1.00 34.21 ATOM 927 O THR 58 -6.279 23.495 -4.549 1.00 32.01 ATOM 928 N GLU 59 -4.839 22.652 -6.060 1.00 45.45 ATOM 929 HN GLU 59 -4.017 22.140 -6.206 1.00 38.50 ATOM 930 CA GLU 59 -5.593 23.142 -7.231 1.00 35.12 ATOM 931 HA GLU 59 -5.491 24.218 -7.257 1.00 61.32 ATOM 932 CB GLU 59 -5.000 22.557 -8.524 1.00 2.24 ATOM 933 HB1 GLU 59 -5.590 22.898 -9.365 1.00 38.50 ATOM 934 HB2 GLU 59 -5.052 21.477 -8.475 1.00 43.12 ATOM 935 CG GLU 59 -3.545 22.957 -8.767 1.00 10.10 ATOM 936 HG1 GLU 59 -2.961 22.679 -7.900 1.00 38.50 ATOM 937 HG2 GLU 59 -3.497 24.029 -8.899 1.00 3.22 ATOM 938 CD GLU 59 -2.941 22.290 -9.996 1.00 72.23 ATOM 939 OE1 GLU 59 -2.247 21.261 -9.844 1.00 42.43 ATOM 940 OE2 GLU 59 -3.159 22.791 -11.121 1.00 64.42 ATOM 941 C GLU 59 -7.091 22.797 -7.122 1.00 32.30 ATOM 942 O GLU 59 -7.959 23.591 -7.502 1.00 23.14 ATOM 943 N SER 60 -7.381 21.616 -6.575 1.00 70.40 ATOM 944 HN SER 60 -6.645 21.011 -6.346 1.00 38.50 ATOM 945 CA SER 60 -8.762 21.186 -6.317 1.00 60.12 ATOM 946 HA SER 60 -9.304 21.233 -7.252 1.00 4.41 ATOM 947 CB SER 60 -8.784 19.740 -5.801 1.00 62.52 ATOM 948 HB1 SER 60 -9.810 19.410 -5.709 1.00 38.50 ATOM 949 HB2 SER 60 -8.306 19.697 -4.833 1.00 43.34 ATOM 950 OG SER 60 -8.097 18.864 -6.681 1.00 54.23 ATOM 951 HG SER 60 -8.737 18.350 -7.188 1.00 25.33 ATOM 952 C SER 60 -9.452 22.104 -5.294 1.00 72.52 ATOM 953 O SER 60 -10.615 22.477 -5.460 1.00 72.23 ATOM 954 N GLN 61 -8.727 22.469 -4.234 1.00 4.10 ATOM 955 HN GLN 61 -7.809 22.130 -4.143 1.00 38.50 ATOM 956 CA GLN 61 -9.263 23.371 -3.207 1.00 22.55 ATOM 957 HA GLN 61 -10.211 22.962 -2.880 1.00 73.34 ATOM 958 CB GLN 61 -8.322 23.451 -1.996 1.00 61.14 ATOM 959 HB1 GLN 61 -8.723 24.165 -1.290 1.00 38.50 ATOM 960 HB2 GLN 61 -7.353 23.797 -2.330 1.00 52.43 ATOM 961 CG GLN 61 -8.131 22.120 -1.273 1.00 72.54 ATOM 962 HG1 GLN 61 -7.659 21.423 -1.948 1.00 38.50 ATOM 963 HG2 GLN 61 -9.100 21.739 -0.983 1.00 54.22 ATOM 964 CD GLN 61 -7.266 22.252 -0.029 1.00 54.20 ATOM 965 OE1 GLN 61 -6.047 22.139 -0.090 1.00 64.00 ATOM 966 NE2 GLN 61 -7.888 22.474 1.113 1.00 34.51 ATOM 967 HE21 GLN 61 -8.865 22.535 1.107 1.00 31.21 ATOM 968 HE22 GLN 61 -7.345 22.574 1.920 1.00 41.45 ATOM 969 C GLN 61 -9.516 24.778 -3.777 1.00 3.51 ATOM 970 O GLN 61 -10.572 25.367 -3.541 1.00 60.44 ATOM 971 N LEU 62 -8.554 25.315 -4.540 1.00 73.25 ATOM 972 HN LEU 62 -7.705 24.831 -4.653 1.00 38.50 ATOM 973 CA LEU 62 -8.746 26.617 -5.205 1.00 0.44 ATOM 974 HA LEU 62 -8.927 27.351 -4.430 1.00 53.42 ATOM 975 CB LEU 62 -7.503 27.047 -6.009 1.00 34.45 ATOM 976 HB1 LEU 62 -7.792 27.861 -6.660 1.00 38.50 ATOM 977 HB2 LEU 62 -7.201 26.213 -6.626 1.00 62.41 ATOM 978 CG LEU 62 -6.279 27.507 -5.183 1.00 51.11 ATOM 979 HG LEU 62 -6.623 28.103 -4.347 1.00 64.15 ATOM 980 CD1 LEU 62 -5.518 26.323 -4.609 1.00 22.43 ATOM 981 HD11 LEU 62 -5.180 25.682 -5.411 1.00 53.21 ATOM 982 HD12 LEU 62 -6.166 25.761 -3.951 1.00 63.44 ATOM 983 HD13 LEU 62 -4.664 26.679 -4.050 1.00 33.14 ATOM 984 CD2 LEU 62 -5.354 28.382 -6.030 1.00 12.31 ATOM 985 HD21 LEU 62 -5.890 29.262 -6.358 1.00 2.12 ATOM 986 HD22 LEU 62 -5.017 27.825 -6.893 1.00 5.11 ATOM 987 HD23 LEU 62 -4.499 28.682 -5.441 1.00 52.52 ATOM 988 C LEU 62 -9.971 26.583 -6.135 1.00 45.42 ATOM 989 O LEU 62 -10.686 27.576 -6.277 1.00 42.42 ATOM 990 N ALA 63 -10.200 25.438 -6.778 1.00 53.42 ATOM 991 HN ALA 63 -9.552 24.703 -6.687 1.00 38.50 ATOM 992 CA ALA 63 -11.388 25.244 -7.615 1.00 30.40 ATOM 993 HA ALA 63 -11.386 26.013 -8.377 1.00 35.54 ATOM 994 CB ALA 63 -11.332 23.887 -8.310 1.00 34.51 ATOM 995 HB1 ALA 63 -10.420 23.816 -8.887 1.00 15.24 ATOM 996 HB2 ALA 63 -12.182 23.780 -8.969 1.00 61.10 ATOM 997 HB3 ALA 63 -11.350 23.099 -7.569 1.00 21.40 ATOM 998 C ALA 63 -12.676 25.376 -6.786 1.00 31.30 ATOM 999 O ALA 63 -13.610 26.074 -7.181 1.00 1.15 ATOM 1000 N LEU 64 -12.705 24.720 -5.624 1.00 51.24 ATOM 1001 HN LEU 64 -11.935 24.168 -5.371 1.00 38.50 ATOM 1002 CA LEU 64 -13.859 24.797 -4.720 1.00 74.22 ATOM 1003 HA LEU 64 -14.729 24.461 -5.268 1.00 10.11 ATOM 1004 CB LEU 64 -13.658 23.880 -3.509 1.00 4.14 ATOM 1005 HB1 LEU 64 -12.741 24.168 -3.015 1.00 38.50 ATOM 1006 HB2 LEU 64 -13.549 22.865 -3.868 1.00 32.34 ATOM 1007 CG LEU 64 -14.794 23.911 -2.472 1.00 3.53 ATOM 1008 HG LEU 64 -14.962 24.936 -2.169 1.00 62.41 ATOM 1009 CD1 LEU 64 -16.099 23.387 -3.070 1.00 14.40 ATOM 1010 HD11 LEU 64 -15.956 22.371 -3.413 1.00 61.42 ATOM 1011 HD12 LEU 64 -16.391 24.007 -3.903 1.00 10.54 ATOM 1012 HD13 LEU 64 -16.875 23.408 -2.319 1.00 61.44 ATOM 1013 CD2 LEU 64 -14.411 23.117 -1.230 1.00 73.25 ATOM 1014 HD21 LEU 64 -15.206 23.181 -0.501 1.00 11.35 ATOM 1015 HD22 LEU 64 -13.506 23.523 -0.809 1.00 1.24 ATOM 1016 HD23 LEU 64 -14.250 22.082 -1.497 1.00 53.41 ATOM 1017 C LEU 64 -14.109 26.234 -4.232 1.00 11.34 ATOM 1018 O LEU 64 -15.240 26.716 -4.256 1.00 21.34 ATOM 1019 N VAL 65 -13.049 26.908 -3.779 1.00 71.13 ATOM 1020 HN VAL 65 -12.178 26.459 -3.748 1.00 38.50 ATOM 1021 CA VAL 65 -13.154 28.301 -3.314 1.00 12.01 ATOM 1022 HA VAL 65 -13.817 28.314 -2.458 1.00 53.15 ATOM 1023 CB VAL 65 -11.772 28.850 -2.866 1.00 21.44 ATOM 1024 HB VAL 65 -11.113 28.847 -3.725 1.00 42.11 ATOM 1025 CG1 VAL 65 -11.887 30.289 -2.365 1.00 13.34 ATOM 1026 HG11 VAL 65 -12.275 30.916 -3.154 1.00 44.12 ATOM 1027 HG12 VAL 65 -10.911 30.650 -2.069 1.00 24.54 ATOM 1028 HG13 VAL 65 -12.556 30.326 -1.516 1.00 53.33 ATOM 1029 CG2 VAL 65 -11.155 27.951 -1.794 1.00 41.52 ATOM 1030 HG21 VAL 65 -11.019 26.957 -2.192 1.00 21.54 ATOM 1031 HG22 VAL 65 -11.807 27.906 -0.935 1.00 32.32 ATOM 1032 HG23 VAL 65 -10.195 28.351 -1.496 1.00 72.51 ATOM 1033 C VAL 65 -13.743 29.209 -4.410 1.00 63.33 ATOM 1034 O VAL 65 -14.599 30.055 -4.143 1.00 53.44 ATOM 1035 N ARG 66 -13.287 29.012 -5.647 1.00 44.13 ATOM 1036 HN ARG 66 -12.568 28.360 -5.788 1.00 38.50 ATOM 1037 CA ARG 66 -13.826 29.743 -6.802 1.00 31.22 ATOM 1038 HA ARG 66 -13.799 30.798 -6.558 1.00 64.12 ATOM 1039 CB ARG 66 -12.948 29.502 -8.041 1.00 42.43 ATOM 1040 HB1 ARG 66 -13.479 29.845 -8.918 1.00 38.50 ATOM 1041 HB2 ARG 66 -12.764 28.441 -8.139 1.00 13.43 ATOM 1042 CG ARG 66 -11.601 30.222 -7.988 1.00 45.24 ATOM 1043 HG1 ARG 66 -11.115 29.988 -7.053 1.00 38.50 ATOM 1044 HG2 ARG 66 -11.773 31.288 -8.045 1.00 1.24 ATOM 1045 CD ARG 66 -10.683 29.814 -9.137 1.00 15.31 ATOM 1046 HD1 ARG 66 -9.827 30.475 -9.148 1.00 38.50 ATOM 1047 HD2 ARG 66 -11.225 29.914 -10.067 1.00 33.41 ATOM 1048 NE ARG 66 -10.218 28.434 -9.002 1.00 62.11 ATOM 1049 HE ARG 66 -10.520 27.933 -8.223 1.00 51.32 ATOM 1050 CZ ARG 66 -9.408 27.846 -9.839 1.00 23.03 ATOM 1051 NH1 ARG 66 -9.027 28.445 -10.924 1.00 2.21 ATOM 1052 HH11 ARG 66 -9.357 29.365 -11.131 1.00 75.24 ATOM 1053 HH12 ARG 66 -8.394 27.989 -11.550 1.00 51.53 ATOM 1054 NH2 ARG 66 -9.002 26.641 -9.601 1.00 72.04 ATOM 1055 HH21 ARG 66 -9.308 26.163 -8.786 1.00 12.12 ATOM 1056 HH22 ARG 66 -8.375 26.194 -10.238 1.00 72.21 ATOM 1057 C ARG 66 -15.285 29.355 -7.092 1.00 13.10 ATOM 1058 O ARG 66 -16.091 30.200 -7.479 1.00 75.35 ATOM 1059 N ASP 67 -15.617 28.075 -6.904 1.00 71.10 ATOM 1060 HN ASP 67 -14.916 27.437 -6.653 1.00 38.50 ATOM 1061 CA ASP 67 -16.995 27.588 -7.069 1.00 3.41 ATOM 1062 HA ASP 67 -17.313 27.823 -8.075 1.00 72.35 ATOM 1063 CB ASP 67 -17.033 26.066 -6.872 1.00 15.14 ATOM 1064 HB1 ASP 67 -16.625 25.822 -5.899 1.00 38.50 ATOM 1065 HB2 ASP 67 -16.425 25.598 -7.634 1.00 54.45 ATOM 1066 CG ASP 67 -18.439 25.498 -6.965 1.00 14.33 ATOM 1067 OD1 ASP 67 -18.864 25.132 -8.078 1.00 3.12 ATOM 1068 OD2 ASP 67 -19.127 25.414 -5.925 1.00 50.33 ATOM 1069 C ASP 67 -17.946 28.275 -6.074 1.00 40.54 ATOM 1070 O ASP 67 -19.003 28.794 -6.451 1.00 32.11 ATOM 1071 N ILE 68 -17.554 28.275 -4.804 1.00 31.23 ATOM 1072 HN ILE 68 -16.715 27.826 -4.571 1.00 38.50 ATOM 1073 CA ILE 68 -18.337 28.915 -3.743 1.00 43.43 ATOM 1074 HA ILE 68 -19.315 28.453 -3.733 1.00 0.43 ATOM 1075 CB ILE 68 -17.680 28.691 -2.353 1.00 54.31 ATOM 1076 HB ILE 68 -16.692 29.132 -2.373 1.00 12.13 ATOM 1077 CG1 ILE 68 -17.550 27.184 -2.065 1.00 62.20 ATOM 1078 HG11 ILE 68 -16.989 26.719 -2.864 1.00 38.50 ATOM 1079 HG12 ILE 68 -18.537 26.746 -2.025 1.00 30.00 ATOM 1080 CG2 ILE 68 -18.485 29.384 -1.251 1.00 43.42 ATOM 1081 HG21 ILE 68 -19.491 28.987 -1.233 1.00 20.12 ATOM 1082 HG22 ILE 68 -18.522 30.447 -1.444 1.00 41.35 ATOM 1083 HG23 ILE 68 -18.015 29.210 -0.293 1.00 44.41 ATOM 1084 CD1 ILE 68 -16.851 26.857 -0.759 1.00 4.23 ATOM 1085 HD11 ILE 68 -15.850 27.261 -0.775 1.00 1.13 ATOM 1086 HD12 ILE 68 -16.804 25.785 -0.634 1.00 22.54 ATOM 1087 HD13 ILE 68 -17.402 27.291 0.065 1.00 3.23 ATOM 1088 C ILE 68 -18.506 30.421 -4.003 1.00 31.13 ATOM 1089 O ILE 68 -19.591 30.979 -3.831 1.00 74.03 ATOM 1090 N ARG 69 -17.423 31.069 -4.425 1.00 23.31 ATOM 1091 HN ARG 69 -16.574 30.579 -4.496 1.00 38.50 ATOM 1092 CA ARG 69 -17.457 32.492 -4.778 1.00 33.04 ATOM 1093 HA ARG 69 -17.873 33.031 -3.938 1.00 33.25 ATOM 1094 CB ARG 69 -16.022 32.992 -5.035 1.00 24.34 ATOM 1095 HB1 ARG 69 -15.640 32.500 -5.920 1.00 38.50 ATOM 1096 HB2 ARG 69 -15.407 32.703 -4.193 1.00 12.35 ATOM 1097 CG ARG 69 -15.875 34.509 -5.225 1.00 55.34 ATOM 1098 HG1 ARG 69 -14.863 34.793 -4.967 1.00 38.50 ATOM 1099 HG2 ARG 69 -16.563 35.009 -4.561 1.00 62.34 ATOM 1100 CD ARG 69 -16.165 34.963 -6.659 1.00 73.52 ATOM 1101 HD1 ARG 69 -17.217 34.827 -6.862 1.00 38.50 ATOM 1102 HD2 ARG 69 -15.589 34.355 -7.341 1.00 70.31 ATOM 1103 NE ARG 69 -15.822 36.368 -6.866 1.00 60.13 ATOM 1104 HE ARG 69 -16.498 37.037 -6.639 1.00 12.25 ATOM 1105 CZ ARG 69 -14.676 36.782 -7.328 1.00 72.12 ATOM 1106 NH1 ARG 69 -13.764 35.936 -7.696 1.00 43.41 ATOM 1107 HH11 ARG 69 -13.941 34.957 -7.633 1.00 63.12 ATOM 1108 HH12 ARG 69 -12.886 36.263 -8.036 1.00 61.25 ATOM 1109 NH2 ARG 69 -14.457 38.047 -7.454 1.00 25.41 ATOM 1110 HH21 ARG 69 -15.169 38.698 -7.198 1.00 12.42 ATOM 1111 HH22 ARG 69 -13.588 38.369 -7.808 1.00 21.41 ATOM 1112 C ARG 69 -18.353 32.723 -6.009 1.00 61.14 ATOM 1113 O ARG 69 -19.095 33.704 -6.072 1.00 32.44 ATOM 1114 N ARG 70 -18.278 31.810 -6.977 1.00 60.11 ATOM 1115 HN ARG 70 -17.651 31.063 -6.871 1.00 38.50 ATOM 1116 CA ARG 70 -19.092 31.882 -8.196 1.00 40.02 ATOM 1117 HA ARG 70 -18.848 32.807 -8.701 1.00 11.41 ATOM 1118 CB ARG 70 -18.759 30.701 -9.127 1.00 74.24 ATOM 1119 HB1 ARG 70 -18.921 29.778 -8.588 1.00 38.50 ATOM 1120 HB2 ARG 70 -17.716 30.762 -9.406 1.00 44.54 ATOM 1121 CG ARG 70 -19.596 30.660 -10.403 1.00 43.12 ATOM 1122 HG1 ARG 70 -20.643 30.671 -10.134 1.00 38.50 ATOM 1123 HG2 ARG 70 -19.373 29.746 -10.938 1.00 43.12 ATOM 1124 CD ARG 70 -19.310 31.846 -11.319 1.00 40.44 ATOM 1125 HD1 ARG 70 -18.309 31.744 -11.717 1.00 38.50 ATOM 1126 HD2 ARG 70 -19.375 32.759 -10.743 1.00 73.13 ATOM 1127 NE ARG 70 -20.259 31.921 -12.427 1.00 21.13 ATOM 1128 HE ARG 70 -21.151 31.547 -12.283 1.00 44.03 ATOM 1129 CZ ARG 70 -20.008 32.489 -13.574 1.00 11.42 ATOM 1130 NH1 ARG 70 -18.823 32.934 -13.853 1.00 43.31 ATOM 1131 HH11 ARG 70 -18.084 32.840 -13.188 1.00 12.33 ATOM 1132 HH12 ARG 70 -18.651 33.371 -14.733 1.00 32.13 ATOM 1133 NH2 ARG 70 -20.946 32.576 -14.459 1.00 42.22 ATOM 1134 HH21 ARG 70 -21.854 32.206 -14.258 1.00 14.23 ATOM 1135 HH22 ARG 70 -20.769 33.022 -15.333 1.00 13.21 ATOM 1136 C ARG 70 -20.595 31.878 -7.865 1.00 12.32 ATOM 1137 O ARG 70 -21.316 32.830 -8.177 1.00 21.51 ATOM 1138 N ARG 71 -21.063 30.802 -7.234 1.00 44.14 ATOM 1139 HN ARG 71 -20.445 30.069 -7.016 1.00 38.50 ATOM 1140 CA ARG 71 -22.477 30.683 -6.853 1.00 20.44 ATOM 1141 HA ARG 71 -23.070 30.873 -7.737 1.00 20.32 ATOM 1142 CB ARG 71 -22.776 29.263 -6.357 1.00 24.10 ATOM 1143 HB1 ARG 71 -23.781 29.240 -5.954 1.00 38.50 ATOM 1144 HB2 ARG 71 -22.079 29.016 -5.568 1.00 74.13 ATOM 1145 CG ARG 71 -22.671 28.192 -7.444 1.00 70.41 ATOM 1146 HG1 ARG 71 -21.689 28.242 -7.891 1.00 38.50 ATOM 1147 HG2 ARG 71 -23.422 28.384 -8.197 1.00 22.30 ATOM 1148 CD ARG 71 -22.889 26.792 -6.878 1.00 12.24 ATOM 1149 HD1 ARG 71 -22.915 26.086 -7.697 1.00 38.50 ATOM 1150 HD2 ARG 71 -23.835 26.767 -6.354 1.00 62.33 ATOM 1151 NE ARG 71 -21.821 26.405 -5.956 1.00 71.43 ATOM 1152 HE ARG 71 -20.955 26.159 -6.348 1.00 40.04 ATOM 1153 CZ ARG 71 -21.938 26.356 -4.658 1.00 60.51 ATOM 1154 NH1 ARG 71 -23.055 26.672 -4.072 1.00 52.30 ATOM 1155 HH11 ARG 71 -23.835 26.953 -4.618 1.00 71.24 ATOM 1156 HH12 ARG 71 -23.127 26.636 -3.073 1.00 42.25 ATOM 1157 NH2 ARG 71 -20.925 25.987 -3.949 1.00 52.24 ATOM 1158 HH21 ARG 71 -20.064 25.746 -4.403 1.00 1.41 ATOM 1159 HH22 ARG 71 -21.000 25.942 -2.962 1.00 64.55 ATOM 1160 C ARG 71 -22.864 31.711 -5.775 1.00 11.22 ATOM 1161 O ARG 71 -23.973 32.247 -5.788 1.00 14.22 ATOM 1162 N GLY 72 -21.945 31.982 -4.848 1.00 62.30 ATOM 1163 HN GLY 72 -21.083 31.514 -4.881 1.00 38.50 ATOM 1164 CA GLY 72 -22.197 32.953 -3.787 1.00 5.12 ATOM 1165 HA1 GLY 72 -21.346 32.969 -3.123 1.00 38.50 ATOM 1166 HA2 GLY 72 -23.069 32.641 -3.228 1.00 14.33 ATOM 1167 C GLY 72 -22.431 34.366 -4.317 1.00 12.04 ATOM 1168 O GLY 72 -23.401 35.027 -3.943 1.00 61.13 ATOM 1169 N LYS 73 -21.549 34.834 -5.197 1.00 22.34 ATOM 1170 HN LYS 73 -20.778 34.279 -5.443 1.00 38.50 ATOM 1171 CA LYS 73 -21.703 36.159 -5.804 1.00 61.15 ATOM 1172 HA LYS 73 -21.874 36.868 -5.005 1.00 62.23 ATOM 1173 CB LYS 73 -20.429 36.557 -6.564 1.00 12.23 ATOM 1174 HB1 LYS 73 -20.329 35.921 -7.434 1.00 38.50 ATOM 1175 HB2 LYS 73 -19.577 36.400 -5.918 1.00 24.31 ATOM 1176 CG LYS 73 -20.416 38.012 -7.031 1.00 44.31 ATOM 1177 HG1 LYS 73 -21.277 38.182 -7.664 1.00 38.50 ATOM 1178 HG2 LYS 73 -19.514 38.188 -7.599 1.00 65.13 ATOM 1179 CD LYS 73 -20.460 38.993 -5.857 1.00 41.15 ATOM 1180 HD1 LYS 73 -21.360 38.818 -5.284 1.00 38.50 ATOM 1181 HD2 LYS 73 -20.474 40.002 -6.246 1.00 11.24 ATOM 1182 CE LYS 73 -19.249 38.838 -4.942 1.00 71.00 ATOM 1183 HE1 LYS 73 -18.353 39.017 -5.519 1.00 38.50 ATOM 1184 HE2 LYS 73 -19.228 37.828 -4.555 1.00 12.55 ATOM 1185 NZ LYS 73 -19.282 39.788 -3.800 1.00 50.55 ATOM 1186 HZ1 LYS 73 -20.134 39.633 -3.222 1.00 12.24 ATOM 1187 HZ2 LYS 73 -19.288 40.768 -4.149 1.00 54.35 ATOM 1188 HZ3 LYS 73 -18.443 39.653 -3.200 1.00 22.42 ATOM 1189 C LYS 73 -22.917 36.180 -6.746 1.00 31.13 ATOM 1190 O LYS 73 -23.613 37.186 -6.857 1.00 1.34 ATOM 1191 N ASN 74 -23.166 35.055 -7.414 1.00 0.11 ATOM 1192 HN ASN 74 -22.533 34.307 -7.336 1.00 38.50 ATOM 1193 CA ASN 74 -24.353 34.899 -8.267 1.00 31.23 ATOM 1194 HA ASN 74 -24.330 35.679 -9.014 1.00 42.10 ATOM 1195 CB ASN 74 -24.311 33.533 -8.967 1.00 52.13 ATOM 1196 HB1 ASN 74 -24.348 32.754 -8.218 1.00 38.50 ATOM 1197 HB2 ASN 74 -23.386 33.447 -9.516 1.00 52.43 ATOM 1198 CG ASN 74 -25.462 33.322 -9.936 1.00 24.11 ATOM 1199 OD1 ASN 74 -26.514 32.808 -9.570 1.00 1.45 ATOM 1200 ND2 ASN 74 -25.272 33.703 -11.181 1.00 72.25 ATOM 1201 HD21 ASN 74 -24.412 34.103 -11.422 1.00 30.11 ATOM 1202 HD22 ASN 74 -26.002 33.566 -11.817 1.00 2.02 ATOM 1203 C ASN 74 -25.643 35.041 -7.436 1.00 62.05 ATOM 1204 O ASN 74 -26.652 35.571 -7.910 1.00 25.12 ATOM 1205 N LYS 75 -25.596 34.565 -6.189 1.00 75.45 ATOM 1206 HN LYS 75 -24.788 34.092 -5.893 1.00 38.50 ATOM 1207 CA LYS 75 -26.715 34.714 -5.248 1.00 51.23 ATOM 1208 HA LYS 75 -27.577 34.224 -5.677 1.00 71.02 ATOM 1209 CB LYS 75 -26.367 34.038 -3.912 1.00 51.12 ATOM 1210 HB1 LYS 75 -25.512 34.542 -3.481 1.00 38.50 ATOM 1211 HB2 LYS 75 -26.101 33.008 -4.104 1.00 34.25 ATOM 1212 CG LYS 75 -27.499 34.054 -2.884 1.00 34.42 ATOM 1213 HG1 LYS 75 -28.326 33.469 -3.265 1.00 38.50 ATOM 1214 HG2 LYS 75 -27.821 35.075 -2.737 1.00 43.02 ATOM 1215 CD LYS 75 -27.064 33.477 -1.536 1.00 5.44 ATOM 1216 HD1 LYS 75 -27.910 33.490 -0.861 1.00 38.50 ATOM 1217 HD2 LYS 75 -26.275 34.094 -1.131 1.00 72.51 ATOM 1218 CE LYS 75 -26.551 32.042 -1.659 1.00 52.32 ATOM 1219 HE1 LYS 75 -25.666 32.039 -2.282 1.00 38.50 ATOM 1220 HE2 LYS 75 -27.316 31.436 -2.120 1.00 62.14 ATOM 1221 NZ LYS 75 -26.211 31.454 -0.333 1.00 54.10 ATOM 1222 HZ1 LYS 75 -25.808 30.503 -0.455 1.00 53.31 ATOM 1223 HZ2 LYS 75 -27.066 31.382 0.257 1.00 61.23 ATOM 1224 HZ3 LYS 75 -25.518 32.053 0.158 1.00 72.23 ATOM 1225 C LYS 75 -27.048 36.199 -5.019 1.00 65.14 ATOM 1226 O LYS 75 -28.218 36.582 -4.913 1.00 2.20 ATOM 1227 N VAL 76 -26.007 37.026 -4.944 1.00 34.24 ATOM 1228 HN VAL 76 -25.103 36.651 -4.991 1.00 38.50 ATOM 1229 CA VAL 76 -26.165 38.477 -4.785 1.00 74.20 ATOM 1230 HA VAL 76 -26.935 38.651 -4.045 1.00 31.52 ATOM 1231 CB VAL 76 -24.847 39.126 -4.283 1.00 34.50 ATOM 1232 HB VAL 76 -24.097 39.004 -5.054 1.00 13.20 ATOM 1233 CG1 VAL 76 -25.028 40.625 -4.041 1.00 43.13 ATOM 1234 HG11 VAL 76 -24.103 41.048 -3.674 1.00 40.25 ATOM 1235 HG12 VAL 76 -25.809 40.782 -3.312 1.00 52.21 ATOM 1236 HG13 VAL 76 -25.301 41.110 -4.968 1.00 43.04 ATOM 1237 CG2 VAL 76 -24.346 38.422 -3.021 1.00 65.42 ATOM 1238 HG21 VAL 76 -25.099 38.489 -2.247 1.00 54.35 ATOM 1239 HG22 VAL 76 -23.435 38.894 -2.678 1.00 13.11 ATOM 1240 HG23 VAL 76 -24.149 37.381 -3.240 1.00 52.22 ATOM 1241 C VAL 76 -26.586 39.139 -6.112 1.00 21.03 ATOM 1242 O VAL 76 -27.506 39.962 -6.154 1.00 5.34 ATOM 1243 N ALA 77 -25.910 38.755 -7.193 1.00 40.34 ATOM 1244 HN ALA 77 -25.205 38.084 -7.093 1.00 38.50 ATOM 1245 CA ALA 77 -26.184 39.298 -8.530 1.00 45.44 ATOM 1246 HA ALA 77 -26.037 40.368 -8.486 1.00 4.33 ATOM 1247 CB ALA 77 -25.189 38.732 -9.538 1.00 34.23 ATOM 1248 HB1 ALA 77 -24.184 38.977 -9.226 1.00 74.43 ATOM 1249 HB2 ALA 77 -25.376 39.161 -10.512 1.00 34.32 ATOM 1250 HB3 ALA 77 -25.297 37.658 -9.589 1.00 13.41 ATOM 1251 C ALA 77 -27.623 39.020 -8.985 1.00 25.02 ATOM 1252 O ALA 77 -28.213 39.808 -9.722 1.00 43.42 ATOM 1253 N ALA 78 -28.185 37.904 -8.523 1.00 55.40 ATOM 1254 HN ALA 78 -27.660 37.323 -7.933 1.00 38.50 ATOM 1255 CA ALA 78 -29.555 37.507 -8.877 1.00 25.41 ATOM 1256 HA ALA 78 -29.571 37.295 -9.937 1.00 30.40 ATOM 1257 CB ALA 78 -29.935 36.229 -8.137 1.00 22.43 ATOM 1258 HB1 ALA 78 -29.935 36.414 -7.072 1.00 23.23 ATOM 1259 HB2 ALA 78 -29.220 35.452 -8.366 1.00 24.54 ATOM 1260 HB3 ALA 78 -30.921 35.911 -8.447 1.00 53.53 ATOM 1261 C ALA 78 -30.580 38.617 -8.582 1.00 12.41 ATOM 1262 O ALA 78 -31.582 38.748 -9.286 1.00 74.00 ATOM 1263 N GLN 79 -30.324 39.419 -7.549 1.00 31.10 ATOM 1264 HN GLN 79 -29.501 39.283 -7.032 1.00 38.50 ATOM 1265 CA GLN 79 -31.246 40.497 -7.160 1.00 14.32 ATOM 1266 HA GLN 79 -32.252 40.107 -7.236 1.00 44.05 ATOM 1267 CB GLN 79 -30.993 40.910 -5.702 1.00 34.01 ATOM 1268 HB1 GLN 79 -31.724 41.654 -5.415 1.00 38.50 ATOM 1269 HB2 GLN 79 -30.005 41.344 -5.630 1.00 0.51 ATOM 1270 CG GLN 79 -31.079 39.748 -4.717 1.00 42.25 ATOM 1271 HG1 GLN 79 -31.023 40.140 -3.710 1.00 38.50 ATOM 1272 HG2 GLN 79 -30.242 39.086 -4.889 1.00 61.45 ATOM 1273 CD GLN 79 -32.364 38.947 -4.859 1.00 24.11 ATOM 1274 OE1 GLN 79 -32.427 37.976 -5.608 1.00 63.01 ATOM 1275 NE2 GLN 79 -33.399 39.351 -4.153 1.00 3.11 ATOM 1276 HE21 GLN 79 -33.293 40.139 -3.583 1.00 15.12 ATOM 1277 HE22 GLN 79 -34.232 38.845 -4.227 1.00 21.31 ATOM 1278 C GLN 79 -31.127 41.715 -8.096 1.00 45.40 ATOM 1279 O GLN 79 -32.054 42.518 -8.212 1.00 74.21 ATOM 1280 N ASN 80 -29.980 41.847 -8.759 1.00 31.34 ATOM 1281 HN ASN 80 -29.255 41.211 -8.581 1.00 38.50 ATOM 1282 CA ASN 80 -29.771 42.904 -9.762 1.00 14.52 ATOM 1283 HA ASN 80 -30.658 43.522 -9.786 1.00 35.33 ATOM 1284 CB ASN 80 -28.567 43.777 -9.375 1.00 45.55 ATOM 1285 HB1 ASN 80 -28.792 44.303 -8.456 1.00 38.50 ATOM 1286 HB2 ASN 80 -28.385 44.499 -10.157 1.00 5.24 ATOM 1287 CG ASN 80 -27.298 42.972 -9.166 1.00 11.12 ATOM 1288 OD1 ASN 80 -26.524 42.756 -10.090 1.00 71.12 ATOM 1289 ND2 ASN 80 -27.075 42.524 -7.948 1.00 40.05 ATOM 1290 HD21 ASN 80 -27.730 42.733 -7.249 1.00 32.53 ATOM 1291 HD22 ASN 80 -26.261 42.007 -7.793 1.00 51.12 ATOM 1292 C ASN 80 -29.574 42.285 -11.155 1.00 13.11 ATOM 1293 O ASN 80 -28.997 42.901 -12.054 1.00 5.30 ATOM 1294 N TYR 81 -30.101 41.072 -11.321 1.00 52.34 ATOM 1295 HN TYR 81 -30.621 40.684 -10.586 1.00 38.50 ATOM 1296 CA TYR 81 -29.933 40.285 -12.549 1.00 65.31 ATOM 1297 HA TYR 81 -28.876 40.102 -12.675 1.00 64.42 ATOM 1298 CB TYR 81 -30.650 38.936 -12.387 1.00 44.42 ATOM 1299 HB1 TYR 81 -31.677 39.116 -12.100 1.00 38.50 ATOM 1300 HB2 TYR 81 -30.162 38.375 -11.604 1.00 51.33 ATOM 1301 CG TYR 81 -30.657 38.074 -13.637 1.00 62.24 ATOM 1302 CD1 TYR 81 -29.563 37.286 -13.970 1.00 43.23 ATOM 1303 HD1 TYR 81 -28.695 37.294 -13.327 1.00 71.22 ATOM 1304 CD2 TYR 81 -31.764 38.048 -14.482 1.00 32.22 ATOM 1305 HD2 TYR 81 -32.624 38.654 -14.239 1.00 61.02 ATOM 1306 CE1 TYR 81 -29.569 36.502 -15.107 1.00 61.31 ATOM 1307 HE1 TYR 81 -28.708 35.895 -15.349 1.00 71.41 ATOM 1308 CE2 TYR 81 -31.776 37.266 -15.618 1.00 73.43 ATOM 1309 HE2 TYR 81 -32.646 37.261 -16.260 1.00 4.45 ATOM 1310 CZ TYR 81 -30.678 36.496 -15.928 1.00 60.40 ATOM 1311 OH TYR 81 -30.687 35.717 -17.068 1.00 4.35 ATOM 1312 HH TYR 81 -30.330 34.843 -16.864 1.00 30.35 ATOM 1313 C TYR 81 -30.457 41.011 -13.799 1.00 14.44 ATOM 1314 O TYR 81 -29.850 40.928 -14.868 1.00 52.32 ATOM 1315 N ARG 82 -31.586 41.707 -13.666 1.00 62.41 ATOM 1316 HN ARG 82 -32.013 41.765 -12.783 1.00 38.50 ATOM 1317 CA ARG 82 -32.209 42.377 -14.811 1.00 61.51 ATOM 1318 HA ARG 82 -32.428 41.615 -15.546 1.00 1.14 ATOM 1319 CB ARG 82 -33.527 43.054 -14.402 1.00 74.34 ATOM 1320 HB1 ARG 82 -33.304 43.934 -13.815 1.00 38.50 ATOM 1321 HB2 ARG 82 -34.099 42.364 -13.798 1.00 5.41 ATOM 1322 CG ARG 82 -34.379 43.473 -15.599 1.00 22.00 ATOM 1323 HG1 ARG 82 -34.569 42.600 -16.208 1.00 38.50 ATOM 1324 HG2 ARG 82 -33.830 44.199 -16.181 1.00 31.22 ATOM 1325 CD ARG 82 -35.714 44.085 -15.187 1.00 12.52 ATOM 1326 HD1 ARG 82 -35.539 45.070 -14.779 1.00 38.50 ATOM 1327 HD2 ARG 82 -36.171 43.457 -14.433 1.00 72.23 ATOM 1328 NE ARG 82 -36.624 44.192 -16.328 1.00 14.33 ATOM 1329 HE ARG 82 -36.650 43.436 -16.952 1.00 12.20 ATOM 1330 CZ ARG 82 -37.406 45.211 -16.564 1.00 71.04 ATOM 1331 NH1 ARG 82 -37.388 46.256 -15.795 1.00 44.02 ATOM 1332 HH11 ARG 82 -36.770 46.292 -15.011 1.00 62.13 ATOM 1333 HH12 ARG 82 -37.985 47.030 -15.994 1.00 12.43 ATOM 1334 NH2 ARG 82 -38.199 45.184 -17.587 1.00 65.25 ATOM 1335 HH21 ARG 82 -38.213 44.392 -18.188 1.00 41.14 ATOM 1336 HH22 ARG 82 -38.797 45.964 -17.776 1.00 53.13 ATOM 1337 C ARG 82 -31.258 43.407 -15.446 1.00 42.22 ATOM 1338 O ARG 82 -31.124 44.537 -14.966 1.00 44.04 ATOM 1339 N LYS 83 -30.586 42.997 -16.515 1.00 11.41 ATOM 1340 HN LYS 83 -30.722 42.079 -16.832 1.00 38.50 ATOM 1341 CA LYS 83 -29.642 43.855 -17.232 1.00 74.35 ATOM 1342 HA LYS 83 -29.488 44.754 -16.650 1.00 63.04 ATOM 1343 CB LYS 83 -28.302 43.121 -17.391 1.00 13.15 ATOM 1344 HB1 LYS 83 -28.469 42.216 -17.957 1.00 38.50 ATOM 1345 HB2 LYS 83 -27.934 42.855 -16.410 1.00 41.32 ATOM 1346 CG LYS 83 -27.222 43.930 -18.097 1.00 71.32 ATOM 1347 HG1 LYS 83 -26.943 44.764 -17.468 1.00 38.50 ATOM 1348 HG2 LYS 83 -27.618 44.300 -19.033 1.00 43.44 ATOM 1349 CD LYS 83 -25.983 43.083 -18.383 1.00 70.42 ATOM 1350 HD1 LYS 83 -26.254 42.278 -19.052 1.00 38.50 ATOM 1351 HD2 LYS 83 -25.619 42.670 -17.453 1.00 52.23 ATOM 1352 CE LYS 83 -24.873 43.904 -19.022 1.00 0.31 ATOM 1353 HE1 LYS 83 -25.262 44.393 -19.905 1.00 38.50 ATOM 1354 HE2 LYS 83 -24.068 43.242 -19.306 1.00 13.31 ATOM 1355 NZ LYS 83 -24.343 44.936 -18.093 1.00 43.33 ATOM 1356 HZ1 LYS 83 -23.903 44.481 -17.265 1.00 70.23 ATOM 1357 HZ2 LYS 83 -25.110 45.556 -17.768 1.00 34.35 ATOM 1358 HZ3 LYS 83 -23.628 45.514 -18.574 1.00 1.35 ATOM 1359 C LYS 83 -30.196 44.236 -18.612 1.00 32.12 ATOM 1360 O LYS 83 -30.300 43.386 -19.499 1.00 55.13 ATOM 1361 N ARG 84 -30.572 45.503 -18.792 1.00 22.35 ATOM 1362 HN ARG 84 -30.500 46.138 -18.047 1.00 38.50 ATOM 1363 CA ARG 84 -31.096 45.961 -20.083 1.00 52.12 ATOM 1364 HA ARG 84 -31.847 45.248 -20.401 1.00 22.13 ATOM 1365 CB ARG 84 -31.753 47.347 -19.956 1.00 14.42 ATOM 1366 HB1 ARG 84 -32.529 47.293 -19.205 1.00 38.50 ATOM 1367 HB2 ARG 84 -32.208 47.603 -20.905 1.00 50.34 ATOM 1368 CG ARG 84 -30.787 48.471 -19.563 1.00 32.42 ATOM 1369 HG1 ARG 84 -29.781 48.180 -19.831 1.00 38.50 ATOM 1370 HG2 ARG 84 -30.844 48.628 -18.496 1.00 71.53 ATOM 1371 CD ARG 84 -31.124 49.779 -20.270 1.00 25.51 ATOM 1372 HD1 ARG 84 -30.425 50.540 -19.950 1.00 38.50 ATOM 1373 HD2 ARG 84 -32.127 50.075 -20.000 1.00 63.12 ATOM 1374 NE ARG 84 -31.042 49.640 -21.724 1.00 50.24 ATOM 1375 HE ARG 84 -30.791 48.764 -22.082 1.00 22.13 ATOM 1376 CZ ARG 84 -31.276 50.602 -22.573 1.00 51.24 ATOM 1377 NH1 ARG 84 -31.621 51.780 -22.168 1.00 3.02 ATOM 1378 HH11 ARG 84 -31.713 51.968 -21.193 1.00 22.43 ATOM 1379 HH12 ARG 84 -31.800 52.501 -22.837 1.00 73.25 ATOM 1380 NH2 ARG 84 -31.177 50.378 -23.840 1.00 54.31 ATOM 1381 HH21 ARG 84 -30.928 49.467 -24.167 1.00 13.42 ATOM 1382 HH22 ARG 84 -31.343 51.119 -24.490 1.00 41.21 ATOM 1383 C ARG 84 -29.986 46.012 -21.150 1.00 71.33 ATOM 1384 O ARG 84 -28.881 46.498 -20.891 1.00 61.43 ATOM 1385 N LYS 85 -30.287 45.511 -22.345 1.00 41.33 ATOM 1386 HN LYS 85 -31.168 45.102 -22.482 1.00 38.50 ATOM 1387 CA LYS 85 -29.334 45.545 -23.463 1.00 44.14 ATOM 1388 HA LYS 85 -28.343 45.386 -23.061 1.00 72.35 ATOM 1389 CB LYS 85 -29.651 44.419 -24.464 1.00 12.43 ATOM 1390 HB1 LYS 85 -29.703 43.482 -23.928 1.00 38.50 ATOM 1391 HB2 LYS 85 -28.850 44.361 -25.188 1.00 5.35 ATOM 1392 CG LYS 85 -30.963 44.610 -25.221 1.00 60.53 ATOM 1393 HG1 LYS 85 -30.859 45.450 -25.893 1.00 38.50 ATOM 1394 HG2 LYS 85 -31.748 44.814 -24.508 1.00 10.34 ATOM 1395 CD LYS 85 -31.341 43.369 -26.029 1.00 23.43 ATOM 1396 HD1 LYS 85 -31.582 42.568 -25.344 1.00 38.50 ATOM 1397 HD2 LYS 85 -30.499 43.077 -26.641 1.00 62.40 ATOM 1398 CE LYS 85 -32.540 43.621 -26.937 1.00 40.03 ATOM 1399 HE1 LYS 85 -32.850 42.680 -27.367 1.00 38.50 ATOM 1400 HE2 LYS 85 -32.241 44.292 -27.727 1.00 22.35 ATOM 1401 NZ LYS 85 -33.690 44.220 -26.209 1.00 0.41 ATOM 1402 HZ1 LYS 85 -33.432 45.158 -25.841 1.00 4.42 ATOM 1403 HZ2 LYS 85 -33.968 43.612 -25.412 1.00 1.50 ATOM 1404 HZ3 LYS 85 -34.504 44.323 -26.852 1.00 74.42 ATOM 1405 C LYS 85 -29.363 46.911 -24.171 1.00 41.32 ATOM 1406 O LYS 85 -30.154 47.793 -23.818 1.00 73.32 ATOM 1407 N LEU 86 -28.492 47.090 -25.162 1.00 22.14 ATOM 1408 HN LEU 86 -27.859 46.372 -25.375 1.00 38.50 ATOM 1409 CA LEU 86 -28.444 48.342 -25.929 1.00 33.02 ATOM 1410 HA LEU 86 -28.424 49.158 -25.219 1.00 45.25 ATOM 1411 CB LEU 86 -27.171 48.408 -26.795 1.00 2.14 ATOM 1412 HB1 LEU 86 -26.331 48.124 -26.177 1.00 38.50 ATOM 1413 HB2 LEU 86 -27.033 49.436 -27.102 1.00 72.44 ATOM 1414 CG LEU 86 -27.160 47.522 -28.063 1.00 61.41 ATOM 1415 HG LEU 86 -28.023 47.768 -28.666 1.00 33.33 ATOM 1416 CD1 LEU 86 -25.918 47.799 -28.903 1.00 53.20 ATOM 1417 HD11 LEU 86 -25.901 48.841 -29.190 1.00 24.40 ATOM 1418 HD12 LEU 86 -25.939 47.184 -29.791 1.00 11.22 ATOM 1419 HD13 LEU 86 -25.032 47.570 -28.329 1.00 45.31 ATOM 1420 CD2 LEU 86 -27.241 46.036 -27.713 1.00 22.31 ATOM 1421 HD21 LEU 86 -26.400 45.761 -27.094 1.00 70.21 ATOM 1422 HD22 LEU 86 -27.226 45.449 -28.621 1.00 4.33 ATOM 1423 HD23 LEU 86 -28.160 45.841 -27.178 1.00 72.43 ATOM 1424 C LEU 86 -29.683 48.508 -26.827 1.00 1.03 ATOM 1425 O LEU 86 -30.340 47.528 -27.192 1.00 13.15 ATOM 1426 N GLU 87 -30.002 49.750 -27.174 1.00 2.31 ATOM 1427 HN GLU 87 -29.487 50.496 -26.801 1.00 38.50 ATOM 1428 CA GLU 87 -31.097 50.034 -28.102 1.00 15.12 ATOM 1429 HA GLU 87 -31.940 49.419 -27.819 1.00 41.51 ATOM 1430 CB GLU 87 -31.498 51.514 -28.005 1.00 4.22 ATOM 1431 HB1 GLU 87 -30.661 52.123 -28.324 1.00 38.50 ATOM 1432 HB2 GLU 87 -31.719 51.745 -26.973 1.00 53.52 ATOM 1433 CG GLU 87 -32.711 51.889 -28.849 1.00 43.31 ATOM 1434 HG1 GLU 87 -32.461 51.758 -29.893 1.00 38.50 ATOM 1435 HG2 GLU 87 -32.952 52.928 -28.668 1.00 73.30 ATOM 1436 CD GLU 87 -33.935 51.045 -28.526 1.00 23.42 ATOM 1437 OE1 GLU 87 -34.270 50.146 -29.327 1.00 52.24 ATOM 1438 OE2 GLU 87 -34.557 51.267 -27.465 1.00 13.33 ATOM 1439 C GLU 87 -30.686 49.683 -29.542 1.00 54.05 ATOM 1440 O GLU 87 -29.558 49.960 -29.958 1.00 51.40 ATOM 1441 N THR 88 -31.596 49.078 -30.304 1.00 61.10 ATOM 1442 HN THR 88 -32.508 48.960 -29.963 1.00 38.50 ATOM 1443 CA THR 88 -31.270 48.606 -31.656 1.00 23.11 ATOM 1444 HA THR 88 -30.727 49.395 -32.160 1.00 41.40 ATOM 1445 CB THR 88 -30.358 47.353 -31.607 1.00 0.34 ATOM 1446 HB THR 88 -29.466 47.604 -31.047 1.00 54.33 ATOM 1447 OG1 THR 88 -29.972 46.967 -32.936 1.00 11.15 ATOM 1448 HG1 THR 88 -30.201 46.039 -33.084 1.00 52.20 ATOM 1449 CG2 THR 88 -31.055 46.185 -30.908 1.00 50.32 ATOM 1450 HG21 THR 88 -30.402 45.324 -30.905 1.00 44.33 ATOM 1451 HG22 THR 88 -31.967 45.942 -31.433 1.00 14.13 ATOM 1452 HG23 THR 88 -31.291 46.461 -29.889 1.00 75.44 ATOM 1453 C THR 88 -32.525 48.279 -32.476 1.00 44.52 ATOM 1454 O THR 88 -33.625 48.159 -31.934 1.00 73.10 ATOM 1455 N ILE 89 -32.349 48.133 -33.789 1.00 51.33 ATOM 1456 HN ILE 89 -31.443 48.228 -34.156 1.00 38.50 ATOM 1457 CA ILE 89 -33.453 47.821 -34.708 1.00 13.34 ATOM 1458 HA ILE 89 -34.313 47.521 -34.122 1.00 64.52 ATOM 1459 CB ILE 89 -33.844 49.059 -35.560 1.00 41.43 ATOM 1460 HB ILE 89 -34.651 48.772 -36.219 1.00 4.15 ATOM 1461 CG1 ILE 89 -32.645 49.520 -36.416 1.00 3.23 ATOM 1462 HG11 ILE 89 -32.321 48.701 -37.045 1.00 38.50 ATOM 1463 HG12 ILE 89 -31.833 49.806 -35.764 1.00 31.32 ATOM 1464 CG2 ILE 89 -34.350 50.196 -34.669 1.00 0.04 ATOM 1465 HG21 ILE 89 -33.566 50.500 -33.988 1.00 72.33 ATOM 1466 HG22 ILE 89 -35.205 49.858 -34.101 1.00 33.34 ATOM 1467 HG23 ILE 89 -34.639 51.036 -35.283 1.00 43.54 ATOM 1468 CD1 ILE 89 -32.947 50.702 -37.315 1.00 14.45 ATOM 1469 HD11 ILE 89 -33.754 50.447 -37.985 1.00 74.40 ATOM 1470 HD12 ILE 89 -32.067 50.951 -37.891 1.00 11.43 ATOM 1471 HD13 ILE 89 -33.233 51.550 -36.711 1.00 64.22 ATOM 1472 C ILE 89 -33.071 46.675 -35.657 1.00 72.22 ATOM 1473 O ILE 89 -31.958 46.150 -35.595 1.00 32.34 ATOM 1474 N VAL 90 -33.997 46.286 -36.530 1.00 45.01 ATOM 1475 HN VAL 90 -34.895 46.677 -36.477 1.00 38.50 ATOM 1476 CA VAL 90 -33.711 45.292 -37.572 1.00 10.51 ATOM 1477 HA VAL 90 -32.662 45.026 -37.493 1.00 75.25 ATOM 1478 CB VAL 90 -34.552 44.000 -37.380 1.00 31.44 ATOM 1479 HB VAL 90 -34.383 43.644 -36.371 1.00 42.50 ATOM 1480 CG1 VAL 90 -36.045 44.281 -37.533 1.00 63.23 ATOM 1481 HG11 VAL 90 -36.603 43.370 -37.368 1.00 4.02 ATOM 1482 HG12 VAL 90 -36.247 44.649 -38.529 1.00 75.13 ATOM 1483 HG13 VAL 90 -36.347 45.022 -36.808 1.00 1.43 ATOM 1484 CG2 VAL 90 -34.100 42.904 -38.345 1.00 63.53 ATOM 1485 HG21 VAL 90 -33.056 42.682 -38.174 1.00 12.33 ATOM 1486 HG22 VAL 90 -34.232 43.241 -39.364 1.00 64.04 ATOM 1487 HG23 VAL 90 -34.689 42.011 -38.184 1.00 23.54 ATOM 1488 C VAL 90 -33.958 45.890 -38.969 1.00 41.05 ATOM 1489 O VAL 90 -34.883 46.688 -39.152 1.00 45.11 ATOM 1490 N GLN 91 -33.122 45.502 -39.940 1.00 12.43 ATOM 1491 HN GLN 91 -32.464 44.806 -39.739 1.00 38.50 ATOM 1492 HA GLN 91 -32.456 45.492 -41.903 1.00 42.10 ATOM 1493 CB GLN 91 -34.552 45.963 -41.935 1.00 41.21 ATOM 1494 HB1 GLN 91 -34.540 46.445 -42.903 1.00 38.50 ATOM 1495 HB2 GLN 91 -35.262 46.474 -41.301 1.00 73.52 ATOM 1496 CG GLN 91 -35.034 44.527 -42.126 1.00 0.34 ATOM 1497 HG1 GLN 91 -36.041 44.548 -42.515 1.00 38.50 ATOM 1498 HG2 GLN 91 -35.034 44.033 -41.164 1.00 63.34 ATOM 1499 CD GLN 91 -34.160 43.725 -43.077 1.00 33.35 ATOM 1500 OE1 GLN 91 -33.561 44.260 -44.005 1.00 20.03 ATOM 1501 NE2 GLN 91 -34.094 42.429 -42.862 1.00 70.21 ATOM 1502 HE21 GLN 91 -34.599 42.060 -42.111 1.00 23.50 ATOM 1503 HE22 GLN 91 -33.534 41.892 -43.457 1.00 51.32 ATOM 1504 CA GLN 91 -33.147 46.076 -41.303 1.00 25.01 ATOM 1505 C GLN 91 -32.658 47.545 -41.309 1.00 1.15 ATOM 1506 OT1 GLN 91 -31.424 47.761 -41.316 1.00 38.50 ATOM 1507 OT2 GLN 91 -33.499 48.475 -41.313 1.00 38.50 ATOM 1508 OH2 TIP3 1 -28.912 15.084 7.581 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -28.923 15.608 6.751 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -29.704 15.395 8.063 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -34.202 36.812 -39.293 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -33.329 36.568 -39.650 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -34.792 36.783 -40.068 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -27.462 31.611 -19.879 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.248 31.037 -19.132 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -28.318 31.252 -20.216 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.616 32.652 -19.582 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -32.572 32.797 -19.412 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.384 33.342 -20.242 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -30.829 34.526 -21.481 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -30.648 34.602 -22.449 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -29.937 34.504 -21.074 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -29.951 30.635 -20.479 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -30.489 30.156 -21.116 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -30.566 31.297 -20.094 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -33.124 34.365 -16.930 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -33.597 34.054 -17.729 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -32.506 35.037 -17.265 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -33.179 35.660 -20.619 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -33.071 36.625 -20.761 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -32.385 35.268 -21.040 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -30.175 31.858 -17.314 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -30.698 32.146 -18.090 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -30.628 32.274 -16.553 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -35.689 31.541 -6.490 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -34.854 31.610 -5.973 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -36.326 31.194 -5.859 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -30.326 19.346 -5.422 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -30.767 19.138 -4.570 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -30.526 18.589 -5.981 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -31.725 18.636 -3.124 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -32.615 19.040 -3.204 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -31.886 17.788 -2.652 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -27.644 27.805 -0.724 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -28.175 28.631 -0.738 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -26.747 28.101 -0.468 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -35.436 31.967 -9.171 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -35.498 31.823 -8.196 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -35.789 31.156 -9.552 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -33.205 22.236 -1.599 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -32.297 22.582 -1.534 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -33.623 22.518 -0.773 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -27.383 25.106 0.434 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -27.509 25.670 -0.349 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -27.722 25.645 1.171 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -36.055 19.000 -2.414 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -35.277 19.464 -2.790 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -36.747 19.130 -3.068 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -28.322 28.862 -14.383 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -27.383 28.891 -14.676 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -28.830 28.869 -15.220 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -28.747 33.428 -14.087 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -28.619 32.515 -13.739 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -29.618 33.393 -14.533 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -31.897 31.965 -7.138 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.452 31.605 -6.415 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -32.375 32.773 -7.420 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -30.546 22.838 -0.866 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -30.000 23.133 -1.629 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -30.514 21.853 -0.919 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -35.883 17.707 -0.040 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -36.252 18.362 0.560 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -35.975 18.120 -0.932 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -31.590 31.051 -0.129 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -31.803 30.708 0.764 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -31.635 32.036 -0.025 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -33.251 27.734 3.066 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -34.084 28.232 3.190 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -32.651 28.381 2.653 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -26.948 30.465 -10.800 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -26.826 31.323 -10.346 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -27.433 30.697 -11.621 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -29.650 31.140 -3.305 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -30.613 30.994 -3.233 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -29.553 31.697 -4.105 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -28.529 34.537 -11.589 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -29.104 33.918 -11.101 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -28.592 34.238 -12.519 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -31.983 16.350 -1.552 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -32.803 16.141 -1.042 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -31.677 15.491 -1.866 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -29.710 32.734 -5.594 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -29.108 32.925 -6.347 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -30.531 32.416 -6.025 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -28.670 31.031 -12.843 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -28.545 30.213 -13.384 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -29.539 30.916 -12.437 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -33.878 20.365 -3.428 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -33.738 20.856 -4.246 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -33.674 21.022 -2.716 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -33.911 24.861 2.897 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -33.797 25.806 2.703 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -33.487 24.405 2.136 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -32.265 21.208 2.821 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -31.533 21.507 3.407 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -32.256 20.247 2.904 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -32.521 23.309 1.082 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -32.436 22.501 1.635 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -31.738 23.281 0.497 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -28.165 25.753 -2.559 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -27.998 25.943 -3.505 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -28.008 26.605 -2.109 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -29.049 30.171 -0.821 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -29.176 30.458 -1.756 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -29.902 30.390 -0.392 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -28.865 23.165 -3.008 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -28.683 23.017 -3.945 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -28.569 24.092 -2.850 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -27.989 15.513 0.794 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -27.383 14.759 0.974 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -27.531 16.029 0.118 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -30.405 20.175 -1.303 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -30.958 19.767 -2.003 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -30.358 19.482 -0.609 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -28.382 33.311 -7.870 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -27.697 33.014 -8.510 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -28.281 34.275 -7.853 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -33.435 31.717 -4.903 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -33.384 32.678 -4.687 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -33.059 31.273 -4.110 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -33.176 34.461 -4.616 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -33.700 35.055 -4.030 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -32.262 34.829 -4.571 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -29.710 30.983 -8.436 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -30.568 31.116 -7.976 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -29.161 31.735 -8.135 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -27.608 31.670 2.090 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -27.471 30.717 2.284 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -28.075 32.007 2.888 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -34.445 22.383 4.093 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -33.737 21.961 3.570 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -34.472 23.301 3.759 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -30.233 21.633 9.673 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -30.837 22.029 10.312 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -29.455 21.356 10.218 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -34.765 20.759 6.233 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -35.667 20.860 6.547 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -34.714 21.360 5.452 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -32.114 20.172 6.395 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -31.753 21.075 6.523 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -33.093 20.302 6.404 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -29.083 16.987 5.662 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -30.019 17.256 5.558 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -28.731 16.997 4.748 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -27.001 29.143 2.917 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -26.599 28.243 3.001 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -26.391 29.718 3.429 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -29.947 24.727 3.354 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -30.691 25.177 3.808 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -29.418 25.465 2.980 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -31.447 17.110 2.610 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -32.096 16.412 2.456 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -31.593 17.371 3.551 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -31.782 17.695 5.231 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -32.371 17.128 5.786 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -31.906 18.599 5.600 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -29.415 25.336 16.546 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -29.403 25.683 15.623 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -30.224 25.696 16.921 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -32.059 30.264 2.512 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -31.326 30.560 3.067 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -32.841 30.663 2.915 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -32.050 25.849 4.713 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -32.716 25.180 4.458 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -32.375 26.673 4.295 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -26.250 35.257 4.097 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -25.316 35.553 4.030 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -26.199 34.434 4.622 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -35.391 29.523 3.055 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -35.775 30.343 3.382 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -36.142 29.036 2.694 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -28.739 26.937 2.260 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -29.033 27.418 1.476 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -28.229 27.596 2.767 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -30.313 22.257 4.407 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -30.421 22.222 5.384 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -30.168 23.209 4.216 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -29.303 26.637 14.151 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -28.979 26.494 13.239 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -28.628 27.211 14.556 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -30.471 25.202 6.896 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -30.184 26.043 7.266 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -31.059 25.454 6.151 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -27.974 19.881 18.964 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -28.466 20.166 18.187 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -28.293 20.464 19.679 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -30.435 17.876 0.157 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -30.960 17.291 -0.433 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -30.774 17.673 1.058 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -30.391 19.218 8.309 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -30.334 20.023 8.862 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -31.002 19.472 7.582 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -33.181 16.232 7.051 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -32.431 16.298 7.685 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -33.887 15.833 7.564 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -28.673 17.050 2.925 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -28.387 16.419 2.223 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -29.638 17.128 2.792 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -31.042 16.568 8.708 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -30.658 16.299 9.574 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -30.837 17.527 8.644 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -28.451 32.237 4.632 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -28.855 31.967 5.461 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -27.575 32.593 4.897 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -34.324 43.588 -46.478 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -34.240 44.277 -47.170 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -33.900 43.989 -45.684 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -38.302 45.153 -43.539 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -38.213 46.047 -43.898 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -37.786 44.600 -44.152 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -37.410 48.828 -41.444 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -38.111 49.512 -41.526 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -36.687 49.280 -40.980 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -35.361 49.275 -39.583 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -35.450 48.440 -39.093 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -34.701 49.061 -40.291 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -29.129 37.123 -41.237 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -29.255 37.572 -40.368 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -28.510 37.708 -41.717 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -38.262 41.573 -44.694 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -39.052 42.011 -44.354 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -37.729 42.310 -45.079 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -29.859 41.996 -41.823 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -30.566 41.674 -42.408 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -30.178 41.789 -40.930 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -37.127 46.455 -46.076 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -36.144 46.523 -46.101 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -37.430 47.367 -46.275 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -38.812 44.780 -40.876 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -38.424 45.592 -40.483 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -38.741 44.926 -41.848 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -32.272 40.302 -43.233 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -32.949 39.879 -43.809 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -31.435 39.842 -43.472 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -37.497 46.843 -39.648 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -37.592 47.551 -40.332 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -36.545 46.621 -39.668 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -33.219 37.241 -42.734 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -34.122 37.050 -42.400 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -33.357 37.968 -43.379 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -35.158 50.393 -47.468 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -34.443 49.923 -46.983 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -34.702 50.838 -48.184 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -34.463 46.753 -46.498 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -34.188 46.404 -47.366 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -33.929 47.564 -46.383 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -35.408 41.142 -46.866 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -34.933 42.006 -46.827 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -35.727 41.009 -45.963 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -40.100 49.957 -37.241 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -39.166 49.770 -37.013 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -40.489 50.279 -36.407 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -37.465 49.159 -46.617 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -36.655 49.559 -47.006 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -37.911 49.896 -46.196 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -36.922 47.315 -36.916 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -37.148 48.263 -36.768 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -37.220 47.140 -37.834 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -35.383 40.952 -40.650 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -36.086 41.598 -40.402 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -35.796 40.084 -40.491 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -36.916 43.780 -45.579 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.987 43.644 -45.863 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -37.130 44.688 -45.898 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -34.188 38.966 -44.600 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -35.079 39.187 -44.239 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -34.366 38.675 -45.521 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.807 37.116 -41.713 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -36.401 36.902 -42.469 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -36.352 37.699 -41.143 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -36.474 39.904 -43.407 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.153 40.547 -43.687 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -36.748 39.639 -42.519 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -38.232 38.914 -45.664 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -38.276 39.827 -45.319 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -38.156 39.025 -46.618 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -35.731 40.946 -49.601 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -35.906 39.993 -49.739 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -35.704 41.045 -48.629 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -38.623 45.456 -35.749 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -37.981 46.112 -36.094 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -39.218 45.982 -35.175 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -37.467 49.898 -36.558 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -37.459 50.249 -35.640 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -36.953 50.558 -37.074 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -34.523 45.219 -48.792 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -35.350 45.640 -49.053 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -34.414 44.486 -49.441 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -37.710 36.980 -43.731 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -38.519 36.499 -43.916 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -37.704 37.704 -44.396 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -37.229 38.956 -40.207 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -36.881 39.027 -39.280 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -38.149 39.238 -40.133 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.572 40.751 -40.553 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -33.541 40.803 -40.424 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -32.472 40.486 -41.493 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -30.727 50.366 -40.509 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -29.913 50.247 -41.029 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -31.182 49.494 -40.583 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -41.478 51.447 -35.307 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -42.066 51.708 -36.058 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -42.081 51.091 -34.645 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -40.291 46.785 -34.029 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -41.245 46.779 -34.164 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -40.101 47.697 -33.698 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -39.466 43.804 -38.342 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -39.479 44.163 -39.255 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -39.411 44.590 -37.779 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -38.610 42.723 -35.955 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -39.100 42.775 -36.797 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -38.425 43.660 -35.733 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -37.562 42.478 -40.098 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -38.009 42.511 -39.238 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -37.915 43.258 -40.575 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -36.777 40.830 -35.362 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -36.287 41.420 -34.752 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -37.551 41.373 -35.639 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.268 39.443 -37.726 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -36.491 40.011 -36.960 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -35.453 38.982 -37.451 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -35.021 40.026 -32.372 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -35.254 39.387 -33.086 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -34.056 39.909 -32.254 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -28.938 48.684 -41.791 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -29.849 48.296 -41.791 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -28.588 48.472 -42.685 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -34.682 43.216 -50.631 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -35.094 42.411 -50.234 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -34.567 42.988 -51.556 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -26.140 39.818 -45.449 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -26.380 40.771 -45.445 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -25.248 39.803 -45.810 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -29.373 40.275 -46.375 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -29.832 40.523 -47.183 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -28.913 39.440 -46.606 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -30.996 41.542 -36.005 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -30.350 42.273 -35.969 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -30.893 41.181 -36.911 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -36.004 38.197 -49.682 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -36.616 37.513 -49.320 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -35.572 37.756 -50.423 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -37.188 36.041 -48.573 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -37.451 35.572 -47.778 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -36.349 35.601 -48.846 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -34.096 37.932 -36.771 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -33.388 37.388 -36.352 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.180 37.551 -37.680 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -33.071 49.169 -46.215 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -32.110 49.015 -46.319 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -33.164 49.441 -45.275 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -35.745 46.671 -31.922 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -34.961 47.250 -31.782 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -36.305 47.174 -32.526 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -31.040 36.714 -44.514 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -30.751 37.616 -44.252 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -31.850 36.564 -43.991 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -39.569 50.473 -41.423 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -40.323 50.017 -41.803 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -39.942 50.964 -40.663 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -34.599 38.617 -47.336 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -34.769 39.582 -47.276 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -35.087 38.339 -48.138 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -28.336 36.288 -44.244 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -28.233 36.132 -43.297 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -29.301 36.212 -44.393 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -32.829 36.808 -48.456 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -31.895 36.823 -48.146 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -33.264 37.510 -47.936 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -34.742 35.151 -49.355 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -34.257 34.481 -49.843 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -34.036 35.732 -48.977 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -35.851 41.474 -22.251 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -36.109 40.820 -21.560 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -36.083 41.034 -23.095 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -38.653 43.134 -24.438 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -39.269 42.661 -25.009 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -39.148 43.245 -23.593 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -29.297 39.907 -21.151 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -29.556 39.919 -20.203 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -28.633 39.198 -21.209 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -33.280 40.486 -22.193 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -32.581 41.180 -22.162 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -34.113 40.990 -22.240 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -34.981 38.030 -27.711 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -34.903 38.068 -28.669 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -35.760 38.580 -27.512 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -37.440 37.976 -23.429 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -36.486 37.772 -23.523 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -37.531 38.850 -23.828 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -30.057 39.850 -18.513 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -29.750 38.935 -18.353 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -31.039 39.778 -18.499 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -32.939 46.820 -26.936 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -33.504 47.076 -27.697 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -32.039 47.116 -27.190 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -42.983 44.158 -23.269 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -43.940 44.167 -23.351 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -42.767 45.023 -22.866 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -30.467 37.148 -25.338 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -31.408 37.392 -25.476 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -29.971 37.880 -25.751 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -44.460 47.130 -21.680 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -45.095 47.825 -21.879 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -44.709 46.823 -20.799 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -32.384 38.219 -21.128 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -31.482 38.164 -21.470 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -32.746 39.044 -21.538 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -35.021 44.921 -28.641 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -35.118 44.545 -29.539 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -35.050 45.889 -28.783 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -33.008 42.801 -34.273 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -32.598 42.121 -34.833 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -32.268 43.392 -34.037 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -28.132 42.022 -22.397 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -27.191 41.795 -22.300 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -28.601 41.300 -21.932 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -37.222 43.555 -21.094 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -36.696 42.934 -21.645 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -37.655 42.971 -20.435 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -41.872 46.427 -22.068 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -42.749 46.870 -22.005 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -41.274 47.123 -22.412 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -33.788 46.251 -23.868 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -33.329 47.051 -24.199 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -34.645 46.597 -23.528 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -38.956 47.179 -19.310 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -38.060 47.477 -19.602 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -39.442 48.014 -19.141 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -34.168 41.935 -29.872 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -34.971 41.411 -29.719 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -34.486 42.722 -30.364 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -40.201 49.475 -18.602 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -40.457 50.279 -19.116 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -39.471 49.776 -18.035 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -32.705 39.540 -18.727 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -33.636 39.564 -18.410 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -32.738 38.972 -19.527 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -38.851 39.387 -31.310 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -39.046 38.640 -31.889 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -39.156 40.157 -31.805 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -37.052 39.857 -27.379 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -36.782 40.148 -28.280 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -37.986 39.632 -27.474 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -35.355 42.593 -18.483 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -35.596 41.668 -18.285 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -34.384 42.553 -18.645 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.685 38.197 -23.764 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.005 38.045 -24.460 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.168 38.371 -22.963 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -36.796 39.744 -20.304 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -37.429 40.427 -19.982 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -37.355 38.946 -20.448 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -42.288 47.912 -17.915 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -41.623 48.527 -18.300 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -42.666 48.414 -17.158 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -36.143 40.286 -24.751 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -36.386 40.108 -25.686 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -35.487 39.584 -24.536 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -38.214 46.839 -30.699 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -38.641 46.080 -31.152 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -37.262 46.660 -30.788 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -35.740 38.446 -34.479 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -35.273 38.099 -35.260 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -36.265 39.196 -34.828 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -36.488 40.102 -30.071 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -35.912 40.082 -30.871 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -37.374 39.851 -30.415 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -35.165 44.092 -31.307 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -35.397 45.018 -31.538 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -35.405 43.580 -32.110 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -35.576 45.132 -19.579 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -35.306 44.378 -19.018 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -36.149 44.720 -20.259 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -30.813 44.409 -34.082 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -31.305 45.079 -34.612 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -30.151 44.056 -34.709 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.907 42.956 -25.335 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -36.823 43.207 -25.121 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -35.867 42.005 -25.115 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -38.694 45.793 -21.651 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -38.848 46.200 -20.766 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -38.179 44.977 -21.451 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -40.871 51.009 -29.269 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -40.314 50.378 -29.789 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -41.704 50.541 -29.146 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -37.966 45.762 -24.314 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -38.176 44.839 -24.554 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -38.051 45.780 -23.339 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -37.735 50.866 -34.050 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -38.191 51.688 -34.341 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -37.099 51.175 -33.374 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -39.122 49.370 -30.499 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -38.860 48.415 -30.486 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -38.274 49.851 -30.364 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -34.219 33.554 -19.335 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -35.146 33.426 -19.562 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -33.954 34.360 -19.845 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -34.854 47.653 -28.692 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -35.624 47.866 -28.129 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -34.634 48.517 -29.125 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -38.315 41.738 -19.274 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -39.174 42.219 -19.308 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -38.152 41.605 -18.313 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -36.831 50.810 -30.025 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -35.964 50.518 -29.654 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -36.582 51.334 -30.816 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -33.709 43.575 -23.413 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -34.499 43.251 -22.962 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -33.785 44.550 -23.367 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -36.522 47.545 -20.397 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -36.361 47.624 -21.358 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -36.045 46.730 -20.142 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -39.849 49.311 -33.139 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -39.129 49.841 -33.538 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -39.681 49.369 -32.176 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -39.005 44.894 -32.459 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -39.502 45.508 -33.033 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -38.556 44.303 -33.076 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -40.271 43.546 -19.624 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -40.364 43.462 -20.594 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -40.966 44.198 -19.373 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -35.564 42.463 -33.489 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -34.672 42.659 -33.864 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -35.439 41.615 -33.010 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -40.446 43.727 -22.423 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -40.276 44.671 -22.238 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -41.372 43.712 -22.759 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -32.694 42.282 -18.747 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -31.890 42.594 -19.202 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -32.632 41.307 -18.793 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -38.378 37.607 -20.888 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -38.087 37.642 -21.828 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -39.104 36.978 -20.890 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -35.291 39.831 -17.920 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -35.849 39.539 -18.668 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -35.441 39.151 -17.222 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -35.500 38.104 -15.801 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -35.260 37.177 -15.696 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -35.415 38.479 -14.896 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -36.049 52.231 -32.255 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -36.903 52.712 -32.120 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -35.453 52.909 -32.639 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -26.633 42.857 -26.765 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -25.763 42.444 -26.956 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -27.030 42.999 -27.650 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -29.590 42.317 -31.403 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -30.079 42.677 -32.158 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -30.278 41.853 -30.873 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -32.321 39.368 -32.220 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -32.408 39.607 -33.176 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -32.062 38.440 -32.234 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -31.658 40.057 -27.387 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -30.731 39.886 -27.123 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -31.589 40.392 -28.301 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -32.734 39.774 -34.888 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -33.201 39.291 -35.592 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -32.071 40.316 -35.366 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -31.630 41.002 -30.084 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -32.507 41.432 -29.942 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -31.808 40.332 -30.779 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -32.983 38.206 -25.884 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -32.551 38.972 -26.328 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -33.700 37.946 -26.508 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -31.094 42.006 -21.656 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -30.663 42.669 -21.090 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -30.494 41.238 -21.621 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -40.287 50.749 -22.571 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -40.222 49.772 -22.572 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -39.788 51.021 -23.367 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -35.885 49.799 -18.092 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -35.814 50.383 -18.877 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -35.551 50.349 -17.354 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -34.999 47.211 -17.631 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -35.199 46.567 -18.333 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -35.290 48.072 -18.004 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -35.938 47.716 -23.055 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -36.577 48.126 -23.669 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -35.392 48.475 -22.732 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -33.141 48.714 -24.969 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -33.815 49.422 -24.921 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -33.341 48.245 -25.797 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -39.766 48.037 -22.937 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -39.331 47.305 -22.452 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -39.208 48.160 -23.730 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -31.347 33.259 -15.216 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -31.686 33.297 -14.289 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -32.097 33.609 -15.756 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -34.416 47.499 -8.667 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -33.924 46.860 -8.109 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -34.748 48.168 -8.027 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -37.886 41.530 -5.669 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -37.763 42.408 -6.088 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -37.304 41.559 -4.880 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -35.697 40.771 -7.269 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -36.543 40.806 -6.784 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -35.603 39.842 -7.514 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -35.057 48.691 -12.603 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -34.936 49.580 -12.969 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -35.152 48.115 -13.400 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -44.205 41.938 -7.894 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -45.114 41.809 -8.184 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -44.040 42.876 -8.035 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -33.335 45.643 -6.792 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -33.601 45.816 -5.863 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -33.811 44.817 -7.028 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -30.556 35.203 -4.708 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -29.798 35.794 -4.837 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -30.208 34.314 -4.919 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -30.400 47.899 -11.949 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -31.253 47.857 -11.451 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -30.170 46.951 -12.108 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -32.954 47.694 -11.056 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -33.650 48.043 -11.646 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -33.393 47.625 -10.184 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -31.994 44.025 -3.018 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -31.310 43.714 -2.377 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -31.478 44.332 -3.787 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -37.077 43.910 -6.781 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -37.432 44.494 -7.460 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -36.165 43.706 -7.091 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -42.430 40.169 -6.796 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -42.888 39.353 -7.015 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -43.023 40.875 -7.135 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -33.843 45.841 -4.116 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -33.260 45.251 -3.595 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -34.721 45.385 -4.098 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -36.551 48.202 -10.421 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -35.993 47.746 -9.759 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -35.945 48.350 -11.181 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -32.081 33.479 -12.631 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -31.326 33.231 -12.067 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -32.820 33.560 -12.008 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -36.128 41.707 -3.518 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -36.424 40.885 -3.078 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -35.195 41.813 -3.220 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -36.596 50.693 -9.155 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -36.699 49.777 -9.468 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -36.025 50.613 -8.376 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -32.380 47.472 -14.288 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -31.658 47.351 -14.944 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -31.940 47.365 -13.427 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -37.485 50.583 -11.863 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -37.436 49.664 -11.555 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -37.181 51.104 -11.095 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -31.457 37.957 -1.550 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -32.310 38.187 -1.955 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -31.708 37.460 -0.737 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -34.504 36.327 -3.060 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -34.373 36.996 -2.361 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -35.093 36.763 -3.699 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -33.588 37.084 -9.517 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -33.230 36.320 -9.983 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -32.846 37.730 -9.505 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -35.362 39.150 -13.233 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -35.514 38.784 -12.331 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -36.071 39.824 -13.338 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -32.162 36.915 0.864 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -31.834 36.419 1.624 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -32.695 37.637 1.258 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -37.173 37.444 -8.561 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -37.673 37.498 -7.722 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -36.772 36.557 -8.542 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -34.453 36.962 -6.885 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -34.283 37.002 -7.848 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -33.593 37.210 -6.479 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -41.317 43.280 -13.113 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -40.927 44.136 -13.390 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -42.258 43.388 -13.266 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -38.449 37.565 -6.044 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -38.710 37.011 -5.278 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -39.078 38.319 -6.020 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -39.983 39.804 -5.629 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -40.805 40.066 -6.108 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -39.360 40.550 -5.790 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -39.889 45.362 -14.284 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -39.196 45.866 -13.802 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -40.033 45.884 -15.107 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -37.767 41.513 -16.621 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -38.305 41.932 -15.913 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -37.344 40.762 -16.183 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -36.854 39.203 -2.648 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -37.834 39.216 -2.693 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -36.582 38.727 -3.465 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -34.504 43.218 -7.481 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -34.894 42.316 -7.386 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -33.622 43.054 -7.881 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -36.068 44.344 -4.263 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -36.559 44.274 -5.104 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -36.124 43.445 -3.879 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -28.798 44.933 1.705 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -29.675 44.954 2.094 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -28.796 45.687 1.074 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -30.260 49.850 -13.932 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -30.370 49.351 -13.098 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -29.483 49.435 -14.353 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -38.084 47.009 -12.952 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -37.589 47.291 -12.172 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -38.930 47.513 -12.897 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -35.564 49.213 -6.858 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -34.995 49.062 -6.065 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -36.458 49.237 -6.502 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -27.718 48.749 -12.088 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -28.640 48.507 -11.866 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -27.235 48.658 -11.234 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -40.609 48.055 -13.056 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -41.019 47.481 -13.714 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -41.202 48.829 -13.014 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -35.995 37.869 -4.884 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -35.391 37.540 -5.594 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -36.890 37.784 -5.282 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -33.564 40.700 -11.756 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -34.051 40.155 -12.405 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -34.037 40.557 -10.928 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -40.123 47.097 -16.381 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -40.950 47.205 -16.894 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -39.604 47.902 -16.594 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -35.652 38.573 -10.567 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -34.918 38.016 -10.239 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -36.402 38.347 -9.974 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -38.751 36.559 -3.489 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -38.130 36.290 -2.805 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -39.160 37.374 -3.137 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -36.134 34.637 -8.394 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -36.588 34.343 -7.598 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -35.933 33.812 -8.873 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -42.316 50.281 -13.165 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -42.756 50.698 -12.416 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -41.445 50.751 -13.228 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -28.885 37.859 -2.631 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -28.753 37.359 -3.455 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -29.840 37.749 -2.432 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -42.847 49.584 -15.781 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -43.071 50.472 -16.068 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -42.711 49.672 -14.815 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -34.303 48.534 -4.552 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -34.078 48.943 -3.712 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.119 47.579 -4.412 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -42.081 45.584 -19.364 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -42.207 46.384 -18.810 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -41.980 45.932 -20.268 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -39.083 42.726 -14.556 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -39.904 42.542 -14.051 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -39.106 43.696 -14.690 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -37.428 40.963 -13.295 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -37.925 40.791 -12.485 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -37.957 41.647 -13.760 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -33.606 41.844 -2.529 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -33.055 42.647 -2.661 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -33.462 41.606 -1.589 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -39.583 39.144 -3.037 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -39.766 39.350 -3.987 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -40.269 39.621 -2.557 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -33.612 38.957 2.122 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -33.054 39.385 2.818 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -34.458 38.805 2.558 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -30.153 42.805 -1.419 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -30.365 42.410 -0.549 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -29.269 42.455 -1.630 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -34.370 38.632 -1.507 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -34.010 39.400 -1.020 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -35.292 38.890 -1.712 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -39.811 51.226 -13.302 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -39.259 51.141 -14.101 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -39.179 51.113 -12.568 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -28.690 43.403 -5.582 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -28.822 42.743 -4.889 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -29.514 43.946 -5.560 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -30.881 45.057 -5.388 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -30.655 45.989 -5.283 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -31.663 45.068 -5.981 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -30.711 41.331 0.932 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -30.266 40.487 0.692 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -30.582 41.401 1.888 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -29.577 38.936 0.274 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.184 38.624 -0.434 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -28.699 38.968 -0.159 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -31.636 33.749 0.225 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -30.892 34.212 0.667 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -32.104 34.451 -0.247 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -30.066 45.300 -12.641 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -29.533 44.524 -12.383 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -30.572 44.993 -13.417 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -33.122 33.347 -9.935 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -33.900 32.755 -9.876 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -33.115 33.813 -9.072 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -33.433 34.266 -7.385 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -33.298 34.428 -6.424 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -34.265 34.740 -7.588 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -30.456 32.652 -10.554 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -31.361 32.837 -10.225 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -30.108 31.984 -9.928 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -38.091 48.920 -16.700 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -37.313 49.060 -17.289 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -37.932 49.534 -15.947 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -26.449 48.715 -9.667 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -26.898 48.850 -8.827 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -25.515 48.561 -9.417 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -32.313 30.481 -2.716 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -32.161 30.781 -1.790 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -32.483 29.535 -2.631 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -28.690 36.658 3.746 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -27.813 36.324 4.024 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -29.080 35.919 3.257 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -33.259 40.732 -0.004 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -33.527 40.168 0.750 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -32.398 41.109 0.277 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -29.611 35.290 1.331 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -29.548 36.177 0.950 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -28.684 34.957 1.320 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -27.038 34.378 1.604 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -26.667 34.822 2.394 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -27.044 33.433 1.843 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -30.622 55.540 -39.188 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -31.509 55.660 -38.830 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -30.183 56.406 -39.032 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.919 58.051 -38.369 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -29.749 58.988 -38.487 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -30.064 57.951 -37.401 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -30.970 51.915 -34.535 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -31.499 52.407 -35.173 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -31.511 51.927 -33.717 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -36.089 51.560 -38.229 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -35.875 50.735 -38.725 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -35.529 52.242 -38.653 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -34.461 55.461 -35.818 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -33.842 55.038 -36.463 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -35.272 55.636 -36.346 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -32.933 54.185 -37.715 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -32.092 53.704 -37.841 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -33.514 53.842 -38.428 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -36.925 55.870 -36.994 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -37.263 56.489 -37.651 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -37.353 55.013 -37.228 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -32.467 56.634 -34.274 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -33.127 56.301 -34.915 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -32.976 56.739 -33.440 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -40.510 51.799 -39.161 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -40.361 51.031 -38.555 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -39.820 52.435 -38.912 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -38.054 53.452 -37.616 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -38.458 53.202 -36.754 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -37.403 52.741 -37.792 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -36.623 56.267 -34.153 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -35.732 56.213 -34.533 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -37.209 56.221 -34.923 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -42.784 52.228 -37.552 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -42.097 52.086 -38.237 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -43.529 52.593 -38.035 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -39.175 52.896 -35.180 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -40.020 52.390 -35.242 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -39.396 53.661 -34.607 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -32.595 52.149 -32.324 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -33.247 52.812 -32.648 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -33.108 51.590 -31.720 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -30.546 52.856 -38.643 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -30.357 53.786 -38.913 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -30.641 52.379 -39.480 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -33.235 51.213 -41.071 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -33.554 50.288 -41.159 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -32.286 51.113 -40.844 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -34.503 53.232 -39.775 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -34.882 53.743 -40.499 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -34.024 52.494 -40.227 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -33.428 53.149 -23.783 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -33.667 53.744 -24.519 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -33.928 53.502 -23.016 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -34.020 53.846 -26.467 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -34.264 52.963 -26.826 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -33.072 53.937 -26.679 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -28.752 57.103 -19.995 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -29.024 56.529 -19.240 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -28.711 57.986 -19.615 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -30.562 52.747 -25.006 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -29.684 52.561 -25.392 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -30.877 53.537 -25.496 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -37.839 48.362 -24.976 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -37.303 48.562 -25.780 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -37.851 47.372 -24.935 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -33.928 53.320 -17.338 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -33.087 53.634 -16.935 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -34.416 54.130 -17.530 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -36.712 51.804 -22.911 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -36.030 51.393 -23.481 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -37.533 51.723 -23.433 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -35.580 51.577 -20.266 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -36.278 51.534 -20.949 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -35.160 52.447 -20.416 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -38.523 53.167 -31.953 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -39.013 53.768 -32.545 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -39.013 53.213 -31.109 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -35.672 56.966 -29.027 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -36.022 56.689 -29.904 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -34.724 57.147 -29.196 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -34.955 55.872 -23.722 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -34.105 56.351 -23.725 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -35.331 56.046 -24.608 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -35.531 56.118 -26.431 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -35.169 55.204 -26.498 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -35.741 56.363 -27.359 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -34.732 50.964 -24.748 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -34.780 51.061 -25.729 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -34.195 51.734 -24.459 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -39.450 55.970 -30.965 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -39.805 55.159 -30.543 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -39.211 56.547 -30.204 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -36.702 56.320 -31.463 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -36.685 56.283 -32.450 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -37.641 56.169 -31.239 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -30.104 56.948 -29.990 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -29.384 57.566 -29.777 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -30.056 56.845 -30.970 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -35.244 53.864 -21.866 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -35.323 54.704 -22.370 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -35.939 53.287 -22.249 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -36.469 49.316 -27.096 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -35.704 49.921 -27.245 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -37.245 49.851 -27.361 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -38.424 57.124 -28.732 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -37.446 57.125 -28.722 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -38.668 57.713 -28.011 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -40.002 53.586 -29.658 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -39.607 53.737 -28.789 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -40.489 52.738 -29.556 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -34.498 49.695 -21.970 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -34.016 50.288 -22.560 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -34.792 50.273 -21.236 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -32.527 57.317 -23.973 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -31.744 56.995 -23.465 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -32.622 58.234 -23.695 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -35.041 51.267 -15.907 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -34.668 52.022 -16.414 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -34.254 50.859 -15.472 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -32.891 50.123 -14.706 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -32.896 49.149 -14.620 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -32.000 50.380 -14.393 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -40.977 51.595 -20.093 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -40.703 51.312 -20.998 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -41.442 52.423 -20.238 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -33.990 56.491 -31.994 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -33.517 56.682 -31.154 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -34.934 56.611 -31.768 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -32.939 56.954 -26.685 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -32.663 57.205 -25.776 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -33.892 56.743 -26.593 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -34.306 54.058 -33.355 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -34.435 54.384 -34.269 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -34.178 54.876 -32.827 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -32.881 57.062 -29.485 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -31.934 57.031 -29.744 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -32.854 57.121 -28.507 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -30.254 57.017 -22.460 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -29.492 57.028 -23.076 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -29.845 57.008 -21.576 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -29.458 55.532 -17.861 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -30.308 55.467 -17.389 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.296 54.616 -18.184 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -30.214 53.655 -31.913 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -29.494 52.994 -31.935 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -31.025 53.125 -32.003 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -38.612 50.992 -24.802 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -38.582 51.259 -25.738 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -38.362 50.044 -24.816 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -38.453 51.098 -27.824 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -37.884 51.131 -28.629 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -39.362 51.070 -28.177 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -39.962 54.971 -33.482 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -40.779 55.356 -33.818 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -39.738 55.528 -32.700 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -34.992 47.273 -14.900 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -34.024 47.246 -14.736 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -35.068 47.277 -15.884 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -32.116 52.801 -19.603 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -31.256 53.072 -19.231 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -32.750 52.956 -18.883 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -30.288 51.361 -16.567 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -30.041 51.704 -15.681 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -30.790 50.556 -16.376 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -30.013 53.076 -14.317 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -29.376 53.806 -14.494 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -29.682 52.662 -13.511 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -37.479 50.715 -14.709 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -36.624 51.017 -15.093 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -37.320 50.711 -13.742 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -12.260 -26.586 19.916 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -12.781 -26.189 19.205 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -11.337 -26.351 19.701 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -8.562 -31.855 19.651 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -8.635 -32.563 18.996 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -9.486 -31.729 19.971 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -14.810 -34.194 14.797 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -15.364 -33.433 14.607 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -14.582 -34.552 13.910 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -11.058 -24.155 21.439 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -10.506 -24.713 20.855 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -11.867 -24.676 21.565 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -14.177 -36.960 19.300 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -14.177 -36.464 18.449 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -13.757 -37.797 19.084 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -11.816 -21.521 21.633 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -11.462 -22.433 21.544 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -12.721 -21.651 22.007 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -14.268 -35.263 12.355 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -14.430 -36.209 12.283 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -13.747 -35.050 11.575 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -14.887 -28.433 16.902 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -14.359 -29.196 17.212 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -15.806 -28.774 16.878 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -14.136 -25.888 16.395 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -14.325 -26.847 16.547 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -15.007 -25.486 16.327 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -14.023 -28.268 22.222 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -13.800 -27.335 22.074 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -14.863 -28.398 21.712 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -12.838 -32.581 22.533 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -13.117 -31.810 23.079 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -13.564 -32.682 21.873 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -16.097 -31.024 19.268 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -15.286 -30.872 18.732 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -15.847 -31.754 19.872 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -15.208 -35.667 21.424 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -14.741 -36.149 20.695 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -16.052 -36.124 21.502 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -13.653 -30.607 18.136 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -13.054 -30.199 18.794 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -13.379 -31.549 18.110 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -10.527 -23.856 18.104 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -10.875 -24.092 17.209 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -10.180 -24.695 18.453 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -11.772 -24.698 15.837 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -12.643 -25.090 16.091 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -11.593 -25.069 14.968 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -13.227 -33.344 18.393 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -13.658 -34.041 17.851 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -12.298 -33.638 18.458 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -13.953 -35.562 16.969 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -13.008 -35.699 16.730 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -14.342 -35.127 16.172 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -12.335 -29.354 20.248 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -12.978 -29.246 20.976 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -12.126 -28.433 19.984 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -15.008 -31.381 30.033 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -15.500 -32.073 29.519 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -15.107 -31.657 30.950 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -14.766 -28.740 29.326 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -14.815 -29.649 29.691 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -15.620 -28.614 28.893 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -15.131 -22.225 29.584 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -15.141 -22.075 30.555 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -14.225 -22.572 29.403 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -15.752 -27.787 26.676 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -15.530 -28.739 26.530 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -16.461 -27.612 26.048 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -12.772 -23.185 28.558 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -11.850 -23.060 28.851 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -12.833 -22.652 27.736 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -15.014 -25.028 29.934 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -15.822 -25.461 30.313 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -15.302 -24.121 29.736 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -17.315 -29.696 17.178 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -17.051 -30.275 17.922 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -18.098 -30.117 16.816 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -14.734 -33.046 20.632 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -15.019 -33.949 20.890 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -14.224 -33.183 19.801 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -13.476 -30.336 23.927 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -12.608 -30.054 24.272 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -13.767 -29.583 23.361 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -15.831 -33.647 26.025 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -16.182 -32.877 25.568 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -15.319 -34.121 25.337 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -17.266 -26.000 31.015 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -17.929 -25.421 31.414 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -17.444 -26.878 31.420 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -18.167 -22.029 23.627 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -17.432 -21.454 23.367 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -18.928 -21.439 23.650 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -16.266 -33.338 28.686 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -17.044 -33.894 28.780 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -15.984 -33.476 27.750 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -14.954 -30.336 26.244 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -14.357 -30.717 26.918 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -14.501 -30.512 25.395 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -11.973 -34.962 25.184 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -12.919 -35.021 24.958 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -11.892 -34.104 25.653 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -17.163 -24.499 24.118 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -17.863 -25.152 24.011 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -17.607 -23.637 23.924 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -9.949 -22.300 28.349 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -9.296 -21.571 28.365 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -9.770 -22.755 27.505 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -14.609 -24.851 23.126 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -15.567 -24.828 23.328 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -14.193 -25.090 23.981 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -16.190 -28.648 20.640 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -16.742 -28.077 20.099 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -16.229 -29.518 20.189 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -9.811 -23.030 32.157 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -10.057 -23.712 32.809 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -8.853 -22.899 32.293 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -18.242 -27.884 32.767 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -18.494 -27.075 33.265 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -18.504 -28.605 33.342 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -18.948 -25.517 33.913 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -18.538 -24.752 33.453 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -19.784 -25.175 34.241 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -17.935 -23.481 32.434 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -18.212 -22.548 32.328 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -17.033 -23.501 32.090 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -14.380 -34.589 23.860 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -13.744 -33.948 23.493 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -14.688 -35.093 23.078 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -10.767 -30.026 29.287 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -10.176 -30.264 28.546 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -10.172 -30.031 30.071 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -11.225 -35.667 16.853 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -10.398 -35.958 16.458 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -10.948 -35.167 17.648 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -13.047 -31.169 28.151 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -12.298 -30.770 28.644 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -13.725 -31.333 28.841 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -14.935 -22.498 34.701 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -14.042 -22.775 35.005 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -15.523 -23.183 35.042 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -15.469 -22.360 25.185 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -15.956 -21.925 25.925 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -15.988 -23.167 25.005 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -7.035 -18.327 21.450 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -6.879 -19.166 20.961 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -7.796 -17.923 20.987 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -13.061 -10.400 14.739 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -13.248 -9.825 15.491 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -12.557 -9.828 14.122 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -8.344 -11.893 19.398 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -7.960 -11.414 18.624 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -8.653 -12.747 19.017 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -9.097 -14.244 18.283 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -10.068 -14.101 18.401 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -9.024 -14.619 17.383 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -13.116 -15.364 16.084 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -12.727 -14.479 15.922 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -12.881 -15.870 15.293 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -9.192 -17.568 19.816 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -9.795 -18.220 20.233 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -9.671 -17.289 19.005 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -18.082 -19.264 22.851 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -17.287 -19.677 22.440 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -18.557 -18.883 22.109 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -13.621 -14.120 13.151 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -14.139 -13.475 13.670 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -14.152 -14.250 12.335 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -17.110 -12.188 18.088 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -16.634 -12.839 17.529 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -18.037 -12.316 17.864 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -15.098 -14.334 10.874 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -15.893 -14.826 10.648 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -14.803 -13.959 10.038 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -11.716 -13.659 18.285 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -11.755 -13.368 17.349 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -12.645 -13.598 18.590 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -12.547 -22.151 18.817 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -11.914 -22.881 18.664 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -12.303 -21.803 19.687 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -11.677 -8.252 13.448 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -10.774 -8.149 13.085 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -12.219 -7.610 12.926 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -15.257 -10.709 19.453 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -15.606 -10.559 20.362 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -16.024 -11.088 18.959 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -15.449 -13.899 16.646 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -15.393 -13.335 15.844 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -14.831 -14.638 16.460 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -19.921 -11.404 24.334 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -19.561 -12.030 24.997 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -20.743 -11.094 24.724 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -11.006 -18.841 21.403 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -10.862 -18.845 22.370 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -11.369 -19.734 21.215 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -14.293 -13.361 19.087 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.593 -12.442 19.223 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -14.772 -13.650 18.280 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -16.052 -20.495 21.536 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -15.674 -20.187 20.705 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -15.369 -21.096 21.902 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -14.196 -22.171 22.759 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -14.302 -23.143 22.658 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -14.578 -21.984 23.646 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -8.958 -7.579 13.028 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -8.871 -6.898 13.703 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -8.572 -7.169 12.227 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -11.953 -12.870 15.679 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -11.041 -12.786 15.328 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -12.429 -12.112 15.287 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -10.706 -16.930 17.547 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -11.623 -16.630 17.416 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -10.191 -16.405 16.897 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -6.883 -16.343 18.797 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -7.265 -15.482 18.567 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -7.650 -16.872 19.092 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -9.390 -21.741 19.414 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -9.699 -22.520 18.897 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -9.723 -20.969 18.900 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -14.313 -8.049 19.556 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -14.684 -8.942 19.433 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -14.788 -7.700 20.347 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -11.852 -21.348 16.264 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -11.967 -22.113 15.690 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -12.286 -21.610 17.103 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -15.123 -12.197 14.476 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -15.822 -11.690 14.047 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -14.376 -11.561 14.551 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -13.399 -6.611 17.428 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -13.896 -7.064 18.145 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -14.103 -6.298 16.811 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -13.175 -21.412 26.480 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -13.944 -21.709 25.952 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -13.530 -20.686 27.029 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -16.369 -12.168 24.862 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -16.680 -11.905 23.974 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -17.183 -12.451 25.324 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -13.769 -14.944 29.293 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -14.601 -15.371 29.008 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -13.627 -15.278 30.202 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -7.140 -19.599 32.785 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -7.995 -19.280 33.148 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -6.481 -18.953 33.121 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -13.817 -19.704 31.396 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -13.081 -20.351 31.552 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -14.626 -20.220 31.602 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -12.250 -18.160 33.104 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -12.783 -18.661 32.457 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -12.316 -18.692 33.923 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -11.893 -21.369 32.060 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -11.979 -21.225 33.018 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -11.139 -22.005 31.979 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -13.307 -12.958 27.215 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -12.385 -12.988 27.527 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -13.797 -13.464 27.885 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -18.680 -13.346 25.867 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -18.900 -13.995 25.151 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -18.384 -13.898 26.600 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -19.266 -15.209 24.008 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -19.983 -15.594 23.498 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -18.753 -15.989 24.330 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -12.813 -20.494 34.589 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -12.408 -21.212 35.115 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -13.761 -20.695 34.610 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -14.898 -14.450 25.480 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -15.440 -13.716 25.133 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -14.173 -14.003 25.953 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -14.336 -17.134 25.484 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -14.645 -16.198 25.474 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -14.997 -17.597 26.032 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -13.788 -4.116 24.428 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -14.361 -3.717 25.087 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -12.976 -3.564 24.452 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -17.883 -11.565 22.579 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -18.098 -12.389 22.124 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -18.691 -11.369 23.114 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -18.029 -17.444 24.954 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -17.342 -17.682 25.602 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -17.980 -18.154 24.280 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.434 -16.884 29.669 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -22.326 -17.048 29.998 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -21.555 -16.234 28.968 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -15.592 -21.571 32.207 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -15.367 -21.926 33.099 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -16.515 -21.252 32.300 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -18.462 -19.537 28.220 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -18.813 -19.261 29.098 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -19.251 -19.643 27.673 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -12.016 -16.719 24.126 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -12.902 -16.752 24.558 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -11.698 -17.635 24.171 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -15.721 -7.310 21.718 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -16.416 -6.670 21.900 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -15.004 -7.079 22.362 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -16.283 -16.189 29.116 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -17.026 -15.633 29.371 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -16.052 -16.679 29.943 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -13.286 -10.123 23.218 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -13.427 -10.295 24.176 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -14.192 -9.993 22.866 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -14.120 -10.705 25.770 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -14.953 -11.121 25.467 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -13.726 -11.374 26.365 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -16.327 -18.108 27.198 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -17.091 -18.644 27.505 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -16.306 -17.344 27.819 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -18.961 -18.282 33.239 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -18.273 -17.626 33.420 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -19.602 -18.159 33.952 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -19.594 -18.712 30.560 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -20.238 -18.045 30.226 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -19.463 -18.466 31.499 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -15.361 -17.375 31.323 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -14.705 -16.757 31.700 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -14.880 -18.223 31.258 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -12.874 -11.248 20.766 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -12.987 -10.874 21.665 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -13.646 -10.918 20.272 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -15.731 -10.023 22.021 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -15.933 -9.063 22.010 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -16.577 -10.447 22.293 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -9.082 -13.521 27.228 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -9.850 -13.640 27.834 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -9.488 -13.298 26.372 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -11.255 -13.822 28.850 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -11.119 -13.209 29.613 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -12.082 -14.298 29.071 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -13.173 -15.804 31.876 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -12.839 -15.019 32.332 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -12.726 -16.553 32.331 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -12.962 -7.693 26.033 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -13.310 -7.431 25.161 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -13.301 -8.593 26.162 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -18.202 -20.724 32.117 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -18.405 -19.985 32.725 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -18.619 -20.457 31.280 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -14.341 -19.721 28.344 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -14.823 -20.473 28.733 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -15.036 -19.194 27.898 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -16.665 -21.497 27.448 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -17.343 -20.881 27.789 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -16.266 -21.885 28.253 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -10.818 -9.131 22.541 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -11.636 -9.595 22.818 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -11.012 -8.185 22.717 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -24.969 15.715 -9.073 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -25.558 14.935 -9.124 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -24.442 15.556 -8.263 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -15.216 15.557 -1.647 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -15.785 15.299 -2.396 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -14.324 15.607 -2.035 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -22.667 14.036 -0.875 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -22.295 13.151 -0.959 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -22.043 14.501 -0.266 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -14.478 10.226 -4.776 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -15.158 9.894 -5.366 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -14.854 11.061 -4.420 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -25.212 14.290 4.103 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -25.279 13.373 4.449 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -25.518 14.845 4.847 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -24.355 13.136 7.383 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -23.481 12.882 7.752 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -24.439 12.598 6.572 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -11.077 15.951 -5.431 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -11.951 16.025 -5.888 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -10.426 16.134 -6.136 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -13.335 9.961 -2.280 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -12.526 10.464 -2.484 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -13.765 9.841 -3.153 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -21.006 15.227 0.916 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -21.646 15.368 1.641 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -20.155 15.068 1.374 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -17.180 12.564 -1.407 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -16.630 11.824 -1.066 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -17.222 13.186 -0.666 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -24.435 16.379 -4.599 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -25.291 16.721 -4.254 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -23.925 17.176 -4.787 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -21.226 13.805 -5.738 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -21.692 14.003 -4.889 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -21.232 12.843 -5.792 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -16.771 14.885 -3.851 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -17.434 14.827 -4.581 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -16.285 14.031 -3.904 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -15.432 12.489 -3.519 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -14.630 12.750 -3.014 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -16.132 12.413 -2.831 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -22.809 14.349 -3.624 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -22.861 14.279 -2.648 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -23.497 15.008 -3.855 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -15.164 10.977 -0.528 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -14.572 10.481 -1.136 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -14.562 11.558 -0.033 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -14.209 5.260 10.288 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -14.475 6.005 10.837 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -14.367 5.568 9.375 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -15.253 5.745 14.357 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -15.918 6.105 14.952 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -14.434 5.726 14.899 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -22.646 14.393 13.982 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -21.770 14.412 14.416 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -23.268 14.560 14.708 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -7.536 -3.184 15.420 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -7.667 -2.233 15.281 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -7.475 -3.551 14.507 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -15.955 3.766 12.639 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -16.373 4.075 11.809 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -15.759 4.593 13.137 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -14.278 1.679 14.258 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -15.233 1.551 14.420 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -13.945 2.058 15.097 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -19.129 1.762 12.750 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -19.859 1.142 12.684 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -19.152 2.251 11.905 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -10.022 -0.683 15.132 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -10.554 0.014 15.578 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -10.131 -1.469 15.711 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -14.762 6.488 7.834 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -15.706 6.214 7.793 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -14.775 7.439 7.569 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -12.955 -6.352 11.937 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -13.677 -6.557 11.337 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -12.838 -5.382 11.850 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -10.983 -2.767 16.664 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -11.796 -2.777 16.105 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -11.299 -2.452 17.541 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -16.101 12.352 10.003 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -15.474 12.821 10.583 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -16.481 11.649 10.583 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -12.101 5.925 7.384 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -11.730 6.837 7.398 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -13.049 6.054 7.617 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -17.340 5.533 7.682 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -17.367 4.742 7.090 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -18.037 6.107 7.339 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -17.347 3.302 6.110 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -17.522 3.124 5.153 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -16.499 2.837 6.288 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -15.830 1.095 17.034 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -16.064 1.596 17.834 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -16.389 1.485 16.333 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -15.946 10.669 14.286 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -16.425 10.917 15.105 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -15.395 9.920 14.553 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -13.533 4.439 5.529 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -14.207 5.129 5.456 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -12.825 4.852 6.067 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -14.494 9.075 6.851 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -14.165 9.229 5.933 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -14.966 9.910 7.076 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -12.779 12.162 3.190 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -11.991 12.679 2.929 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -13.366 12.226 2.416 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -17.271 10.714 19.404 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -17.841 10.605 20.171 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -16.363 10.562 19.756 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -19.853 12.982 6.431 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -19.260 13.041 7.208 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -20.403 13.788 6.491 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -22.011 15.604 9.490 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -22.048 14.886 10.150 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -22.837 16.107 9.644 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -18.792 12.641 3.910 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -19.237 12.732 4.782 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -18.573 11.707 3.852 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -15.820 11.476 7.406 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -16.623 11.906 7.091 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -15.773 11.723 8.354 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -13.971 -0.909 17.137 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -13.257 -0.315 16.828 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -14.772 -0.333 17.148 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -11.672 8.430 2.535 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -11.096 9.107 2.153 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -12.209 8.128 1.793 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -19.386 2.300 7.629 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -19.836 1.711 7.015 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -18.622 2.642 7.116 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -17.024 2.056 14.536 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -17.879 1.832 14.110 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -16.640 2.737 13.944 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -15.470 -5.799 15.823 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -16.423 -5.741 15.932 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -15.290 -5.281 15.007 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -17.042 4.068 10.068 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -17.932 3.678 10.207 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -17.153 4.649 9.290 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -17.814 2.636 3.510 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -18.431 2.849 2.804 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -17.475 1.740 3.269 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -15.167 9.319 16.962 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -14.449 9.981 17.022 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -15.984 9.853 16.959 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -14.870 2.308 6.694 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -14.356 3.049 6.313 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -14.410 1.506 6.366 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -13.209 8.075 20.078 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -12.463 7.838 20.646 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -12.781 8.388 19.242 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -12.811 2.547 3.661 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -13.062 3.288 4.259 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -13.334 2.697 2.865 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -10.692 10.761 5.955 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -10.210 10.143 5.371 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -10.606 11.621 5.508 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -14.931 13.182 12.553 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -15.580 13.925 12.503 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -15.403 12.485 13.034 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -20.919 15.467 7.027 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -21.382 15.476 7.900 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -20.086 15.923 7.198 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -13.259 5.729 16.252 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -13.816 6.058 16.990 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -12.343 5.951 16.526 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -13.561 13.039 0.524 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -12.720 13.412 0.867 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -13.492 13.156 -0.454 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -11.324 3.489 8.659 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -11.763 4.298 8.330 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -10.419 3.790 8.898 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -13.279 -2.753 15.245 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -13.764 -2.191 15.892 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -13.983 -3.279 14.808 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -14.462 -1.667 10.003 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -13.882 -0.949 10.352 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -14.770 -1.329 9.153 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -19.553 2.983 10.237 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -19.465 2.595 9.330 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -20.394 3.453 10.210 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -15.050 2.184 9.468 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -15.792 2.793 9.658 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -14.995 2.171 8.492 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -21.933 16.617 4.790 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -21.086 16.840 4.334 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -21.653 16.072 5.559 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -12.058 -1.897 18.975 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -12.936 -1.850 18.544 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -11.906 -0.988 19.297 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -23.221 15.563 2.640 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -22.776 16.025 3.384 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -23.940 15.058 3.074 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -13.710 7.603 23.359 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -14.274 6.898 23.755 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -14.260 7.981 22.660 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -13.338 9.639 4.429 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -13.193 10.550 4.107 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -12.736 9.097 3.883 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -11.923 9.033 17.900 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -12.317 9.819 17.480 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -11.330 8.664 17.213 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -16.176 1.964 19.790 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -17.037 1.629 20.060 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -15.536 1.321 20.175 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -13.246 3.003 16.459 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -13.085 3.924 16.167 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -13.786 3.110 17.276 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -14.358 0.154 20.794 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -14.142 -0.588 21.369 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -13.542 0.310 20.284 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -19.560 17.100 3.568 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -19.163 16.330 3.104 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -18.961 17.837 3.365 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -27.623 13.973 9.696 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -28.058 14.305 8.876 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -27.886 13.024 9.742 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -27.763 11.269 9.995 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -27.986 10.582 10.630 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -26.783 11.226 9.926 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -11.312 6.306 23.105 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -12.208 6.690 23.244 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -10.979 6.765 22.308 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -9.703 7.872 9.761 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -9.432 8.066 8.853 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -10.650 8.066 9.768 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -9.378 9.157 4.139 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -8.849 8.712 4.843 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -10.016 8.482 3.857 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -16.988 0.199 2.715 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -17.121 -0.466 2.034 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -16.360 -0.224 3.346 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -11.797 0.742 16.714 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -11.653 0.782 17.680 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -12.303 1.565 16.513 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -15.242 -0.972 4.454 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -15.111 -1.852 4.815 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -14.501 -0.447 4.825 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -17.174 10.663 11.844 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -18.048 10.321 12.046 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -16.688 10.597 12.695 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -21.029 14.833 16.191 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -21.904 15.217 16.355 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -20.431 15.341 16.777 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -11.004 -5.479 16.745 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -11.936 -5.733 16.943 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -11.041 -4.506 16.621 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -20.807 19.058 16.946 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -20.633 19.683 17.685 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -21.455 19.538 16.377 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -16.490 15.410 12.435 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -16.193 15.845 13.259 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -16.972 16.116 11.953 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -25.123 11.302 9.326 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -24.215 11.070 9.579 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -25.015 12.098 8.763 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -22.346 12.119 9.016 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -22.385 12.629 9.855 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -21.401 12.006 8.850 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -18.246 13.394 8.649 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -18.472 14.143 9.213 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -17.482 12.977 9.105 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -15.829 -1.847 12.435 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -15.478 -1.825 11.524 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -16.017 -0.925 12.639 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -13.095 -3.597 11.690 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -13.565 -3.063 11.020 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -12.544 -2.945 12.168 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -12.715 0.005 11.198 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -11.886 0.313 10.760 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -12.400 -0.508 11.976 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -15.062 -4.144 13.675 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -14.369 -4.273 13.001 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -15.590 -3.386 13.329 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -26.900 10.709 7.228 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -26.247 10.706 7.951 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -27.753 10.726 7.682 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -18.572 14.845 2.257 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -18.635 14.060 2.853 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -17.757 14.683 1.736 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -9.901 13.243 4.807 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -9.963 13.490 5.749 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -9.978 14.092 4.334 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -25.467 11.736 5.167 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -25.517 11.057 4.486 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -26.072 11.409 5.876 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -13.788 -6.646 23.474 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -12.878 -6.681 23.102 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -13.850 -5.741 23.864 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -11.155 -6.448 22.789 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -10.968 -5.919 23.596 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -10.345 -6.339 22.251 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -9.473 7.686 24.661 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -10.047 8.478 24.564 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -9.998 6.966 24.258 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -14.660 18.302 19.846 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -14.179 17.852 20.569 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -14.658 19.253 20.112 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -14.897 6.813 18.236 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -14.413 7.120 19.027 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -15.117 7.641 17.757 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -9.665 0.652 20.981 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -8.882 0.329 20.485 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -9.300 1.328 21.590 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -10.962 4.606 25.263 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -11.123 5.141 24.459 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -11.771 4.096 25.374 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -15.174 5.456 24.244 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -15.631 4.831 23.670 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -15.567 5.314 25.113 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -11.310 12.169 22.736 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -11.365 13.111 22.978 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -11.952 12.076 22.002 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -14.778 10.329 20.394 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -14.306 9.483 20.259 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -14.063 10.993 20.465 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -11.233 9.571 23.668 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -12.161 9.357 23.858 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -11.239 10.540 23.492 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -17.239 11.178 16.737 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -17.304 11.009 17.710 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -17.870 11.893 16.581 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -14.590 3.949 18.617 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -15.265 3.442 19.110 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -14.942 4.859 18.591 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -8.558 3.923 26.394 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -8.040 4.735 26.216 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -9.470 4.151 26.097 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -8.116 6.836 28.420 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -9.003 7.210 28.446 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -7.897 6.799 27.466 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -9.023 2.903 22.473 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -9.636 3.646 22.464 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -8.183 3.279 22.124 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -11.904 0.822 19.535 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -11.067 0.729 20.062 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -12.138 1.756 19.630 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -9.463 -3.004 19.730 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -9.213 -3.596 18.995 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -10.415 -2.837 19.593 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -9.458 -0.878 24.279 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -9.373 -0.770 23.320 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -9.135 -0.018 24.643 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -11.620 -2.499 24.951 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -10.962 -1.825 24.674 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -11.513 -2.555 25.923 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -8.608 -2.400 26.432 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -9.469 -2.658 26.830 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -8.852 -2.029 25.555 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -11.079 -5.972 27.058 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -10.516 -6.537 27.605 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -11.789 -6.580 26.734 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -10.172 -4.863 24.725 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -10.675 -4.029 24.714 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -10.402 -5.272 25.584 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -12.987 12.424 20.532 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -13.661 13.097 20.365 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -12.167 12.800 20.133 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -20.144 28.522 -17.890 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -19.684 28.053 -17.147 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -20.382 27.816 -18.502 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.814 31.660 -18.793 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -24.051 31.794 -19.363 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -25.578 31.812 -19.376 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -12.031 29.410 -16.968 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -12.426 30.308 -16.942 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -11.115 29.562 -17.215 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -19.744 31.166 -18.553 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -20.504 31.472 -18.037 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -19.795 30.189 -18.492 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -10.448 35.595 -16.442 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -10.424 34.616 -16.497 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -9.639 35.877 -16.881 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -17.134 31.879 -18.381 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -18.077 31.725 -18.635 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -16.793 30.995 -18.203 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -13.444 28.675 -14.759 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -13.437 27.723 -14.560 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -12.975 28.746 -15.619 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -14.782 33.328 -18.474 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -15.623 32.813 -18.511 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -14.593 33.537 -19.395 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -27.707 34.913 -17.870 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -27.314 34.089 -17.560 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -28.002 34.708 -18.784 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -16.371 31.963 -12.851 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -16.103 31.109 -12.494 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -15.673 32.177 -13.508 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -20.064 25.640 -13.659 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -19.138 25.944 -13.555 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -20.062 24.751 -13.276 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -17.400 26.293 -13.640 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -16.693 26.019 -14.272 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -17.418 25.568 -12.974 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -12.612 28.427 -11.352 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -11.868 27.867 -11.634 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -12.552 29.216 -11.925 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -29.310 29.239 -17.012 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -29.940 28.858 -17.632 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -29.476 30.207 -17.069 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -18.133 33.763 -16.518 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -17.300 34.248 -16.323 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -17.862 33.079 -17.165 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -13.846 36.829 -16.096 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -13.309 37.246 -16.781 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -13.233 36.741 -15.334 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -30.090 34.755 -24.116 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -30.183 35.669 -24.479 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -30.070 34.195 -24.895 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -12.832 32.042 -16.889 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -13.316 32.557 -17.564 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -11.934 32.444 -16.873 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -24.625 22.667 -5.369 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -24.709 21.781 -4.958 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -25.532 22.886 -5.655 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -24.748 24.654 -9.189 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -25.405 25.365 -9.370 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -25.269 23.824 -9.269 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -16.896 20.494 -4.802 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -16.250 21.203 -4.884 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -17.499 20.628 -5.578 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -24.666 19.302 -11.055 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -24.293 18.426 -11.265 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -23.902 19.815 -10.750 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -16.073 19.555 -9.913 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -15.463 20.298 -10.135 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -15.470 18.812 -9.707 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -26.003 22.228 -9.187 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -26.428 21.680 -9.860 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -25.260 21.672 -8.859 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -26.437 17.835 -3.376 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -26.581 17.427 -2.507 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -27.140 18.519 -3.435 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -18.482 21.040 -6.895 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -19.207 21.706 -6.837 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -18.315 20.958 -7.848 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -26.106 19.780 -6.957 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -25.284 20.168 -7.326 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -26.389 19.131 -7.647 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -25.005 28.597 -10.617 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -25.471 27.802 -10.282 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -25.713 29.281 -10.678 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -13.388 16.254 -6.794 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -14.245 16.341 -6.342 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -13.570 16.553 -7.700 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -25.801 13.236 -8.154 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -26.066 12.403 -7.759 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -25.082 13.559 -7.578 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -20.399 22.941 -7.143 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -21.358 23.158 -7.127 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -19.953 23.817 -7.089 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -18.127 24.526 -11.696 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -17.842 23.870 -11.029 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -18.648 25.176 -11.181 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -13.734 24.083 -11.123 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -14.175 24.945 -10.953 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -13.901 23.914 -12.057 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -24.263 28.345 -13.294 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -24.724 28.333 -12.433 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -23.472 27.787 -13.146 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -12.734 30.689 -13.142 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -13.172 31.491 -13.474 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -13.025 29.981 -13.768 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -25.029 28.827 -0.122 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -24.630 28.788 0.762 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -24.478 28.194 -0.651 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -28.245 28.729 -9.079 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -27.812 29.262 -9.774 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -28.888 29.346 -8.677 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -24.121 32.650 1.138 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -23.448 32.345 1.788 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -23.934 33.606 1.043 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -23.788 14.675 -6.763 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -24.092 15.214 -6.003 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -22.875 14.421 -6.525 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -15.424 25.401 -15.287 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -15.057 25.265 -16.165 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -14.640 25.581 -14.723 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -23.052 23.347 -7.465 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -23.648 23.919 -7.994 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -23.568 23.152 -6.647 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -23.854 20.800 -8.277 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -23.354 21.604 -8.018 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -23.180 20.226 -8.701 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -17.535 23.153 -9.365 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -18.065 23.820 -8.857 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -16.634 23.266 -9.035 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -18.677 14.974 -5.782 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -18.606 15.487 -6.595 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -19.583 14.599 -5.811 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -26.296 18.201 -9.101 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -25.818 18.647 -9.830 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -25.963 17.284 -9.123 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -20.804 22.539 -9.848 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -20.264 21.755 -10.032 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -20.620 22.738 -8.907 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -19.596 26.399 -10.288 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -20.527 26.136 -10.395 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -19.328 25.985 -9.425 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -14.025 21.391 -10.328 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -13.125 21.049 -10.125 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -13.883 22.338 -10.518 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -28.158 21.004 -5.555 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -27.501 20.475 -6.063 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -28.993 20.483 -5.627 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -22.464 29.361 -11.140 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -23.369 29.135 -10.832 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -22.114 28.513 -11.486 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -9.995 23.481 -11.994 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -10.595 22.730 -11.954 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -9.102 23.076 -11.967 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -14.648 26.647 -11.179 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -14.028 27.407 -11.078 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -15.534 27.034 -10.990 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -8.542 32.004 -14.390 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -7.918 32.605 -13.921 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -7.958 31.442 -14.941 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -28.257 19.838 -3.033 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -28.184 20.380 -3.848 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -29.033 20.209 -2.570 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -17.211 27.644 -11.163 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -17.313 27.417 -12.104 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -18.044 27.335 -10.752 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -21.495 30.354 -16.349 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -21.099 29.605 -16.843 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -21.157 30.248 -15.451 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -22.107 26.896 -12.323 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -22.289 26.165 -11.692 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -21.390 26.543 -12.893 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -26.640 26.580 -9.719 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -27.269 27.209 -9.298 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -26.934 26.547 -10.663 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -18.583 20.703 -9.737 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -18.326 21.654 -9.709 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -17.763 20.248 -10.029 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -22.102 19.223 -9.803 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -21.146 19.271 -9.928 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -22.341 18.322 -10.102 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -14.608 15.559 -11.115 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -15.058 14.712 -11.025 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -14.425 15.632 -12.059 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -27.378 26.995 -12.298 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -27.888 27.671 -12.772 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -27.127 26.352 -13.001 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -14.461 32.562 -14.718 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -13.877 32.217 -15.427 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -14.909 33.328 -15.131 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -26.728 25.553 -14.518 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -26.993 26.020 -15.340 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -25.916 25.101 -14.756 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -19.124 27.243 -15.757 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -19.719 26.684 -15.222 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -18.280 27.216 -15.275 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -22.184 24.891 -10.465 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -23.062 24.758 -10.052 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -21.716 24.039 -10.311 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -13.419 26.103 -13.603 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -12.518 26.026 -13.226 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -13.974 26.365 -12.836 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -25.008 20.034 -4.478 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -25.387 19.843 -5.362 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -25.362 19.329 -3.912 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -25.665 18.789 0.781 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -24.975 18.125 0.554 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -26.428 18.537 0.219 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -26.032 13.732 1.489 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -25.793 13.988 2.403 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -25.197 13.468 1.091 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -25.801 29.040 -15.378 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -25.237 28.704 -14.641 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -25.310 29.824 -15.712 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -6.690 26.044 -10.920 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -6.563 26.680 -11.658 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -6.308 25.202 -11.260 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -27.723 25.631 -5.366 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -27.459 24.802 -5.818 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -28.068 26.187 -6.074 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -11.530 20.342 -9.689 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -11.688 19.423 -9.409 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -10.557 20.408 -9.751 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -14.304 17.489 -9.210 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -13.335 17.649 -9.274 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -14.477 16.800 -9.896 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -27.044 23.236 -6.699 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -26.834 22.959 -7.615 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -27.573 22.492 -6.339 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -34.182 15.610 -0.157 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -34.767 16.403 -0.071 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -34.778 14.865 -0.035 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -13.156 13.286 -2.192 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -12.937 14.172 -2.558 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -12.489 12.690 -2.593 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -15.926 17.524 -6.784 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -15.318 17.676 -7.527 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -16.811 17.693 -7.165 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.571 17.547 -9.100 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -11.225 17.102 -8.308 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -10.861 17.430 -9.767 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -23.300 16.883 -10.899 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -23.899 16.438 -10.252 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -23.136 16.210 -11.569 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -18.044 18.171 -8.385 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -17.426 18.558 -9.033 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -18.710 18.859 -8.258 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -27.828 18.041 -0.818 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -28.055 18.714 -1.486 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -28.678 17.867 -0.355 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -23.991 16.619 0.204 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -23.657 15.911 -0.366 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -23.750 16.328 1.109 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -27.103 27.109 -16.761 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -27.854 27.612 -17.102 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -26.512 27.792 -16.377 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -16.219 14.361 0.650 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -15.457 13.806 0.887 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -15.891 14.909 -0.098 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -11.506 27.227 11.297 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -11.211 27.741 10.524 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -12.478 27.318 11.285 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -15.925 33.209 10.909 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -16.422 32.946 11.692 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -16.593 33.669 10.345 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -25.358 18.728 11.908 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -25.845 19.469 12.336 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -25.039 18.184 12.672 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -26.703 20.468 13.562 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -27.096 20.180 14.401 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -25.860 20.914 13.835 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -14.633 27.738 11.772 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -15.602 27.549 11.764 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -14.574 28.681 11.540 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -22.734 13.617 11.314 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -22.542 13.826 12.257 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -23.707 13.708 11.247 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -11.383 23.005 11.149 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -10.777 23.764 11.295 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -11.767 23.172 10.279 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -13.961 25.844 13.683 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -13.801 24.945 13.315 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -14.300 26.363 12.917 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -19.044 24.775 12.090 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -19.784 24.362 11.597 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -19.427 25.003 12.942 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -17.359 27.112 12.029 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -17.677 26.218 11.802 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -18.108 27.510 12.517 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -22.882 24.374 16.264 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -23.792 24.264 15.922 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -22.859 25.290 16.596 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -23.969 27.980 13.987 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -23.414 27.173 13.880 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -24.425 27.846 14.839 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -11.231 15.825 4.752 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -11.928 15.174 4.970 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -11.662 16.436 4.125 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -27.971 23.062 17.051 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -27.291 23.177 16.363 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -28.586 23.818 16.909 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -27.842 26.237 11.801 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -27.950 25.560 11.126 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -27.388 26.979 11.327 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -9.698 27.224 20.165 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -10.045 26.378 20.520 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -8.894 27.379 20.669 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -21.898 26.187 13.950 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -21.460 25.401 14.323 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -21.162 26.739 13.628 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -24.530 29.433 11.669 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -23.659 29.868 11.749 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -24.572 28.849 12.456 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -27.206 27.365 15.856 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -26.363 27.732 16.208 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -27.558 26.834 16.586 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -24.417 16.647 10.302 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -24.758 15.795 10.649 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -24.780 17.315 10.914 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -18.009 17.493 11.345 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -18.924 17.399 11.623 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -17.946 18.420 11.043 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -20.373 24.199 15.173 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -21.233 24.051 15.625 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -19.913 23.328 15.241 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -26.134 20.312 16.492 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -26.364 20.975 17.156 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -25.445 20.749 15.940 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -28.351 20.675 11.361 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -27.819 20.795 12.176 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -28.302 19.715 11.184 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -23.087 26.277 18.484 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -22.609 25.969 19.294 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -23.910 25.739 18.475 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.189 23.249 13.226 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.564 23.062 12.496 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -13.789 22.471 13.232 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -18.638 26.276 15.766 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -19.204 25.490 15.603 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -17.725 25.962 15.571 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -26.767 22.990 19.461 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -27.370 22.577 20.115 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -27.285 22.981 18.621 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -13.656 27.796 16.235 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -14.445 28.243 15.903 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -12.960 28.029 15.589 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -12.879 25.110 16.326 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -13.297 26.001 16.358 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -13.128 24.765 15.450 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -19.606 27.785 13.657 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -20.198 28.519 13.929 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -19.251 27.437 14.500 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -23.607 32.823 6.813 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -22.912 33.036 6.150 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -23.597 33.583 7.414 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -16.040 25.533 15.444 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -15.726 25.848 16.321 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -15.298 25.736 14.835 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -24.690 17.277 14.048 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -24.629 17.785 14.880 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -24.224 16.452 14.241 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -26.326 25.534 13.973 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -26.611 26.246 14.578 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -26.769 25.751 13.127 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -14.129 30.964 11.138 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -14.777 31.656 10.911 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -13.302 31.445 11.255 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -25.454 14.293 11.328 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -26.151 14.117 10.651 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -25.941 14.342 12.159 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -25.115 27.537 7.902 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -24.846 28.393 7.549 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -24.590 26.892 7.375 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -25.466 25.016 18.034 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -25.587 24.503 17.207 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -25.874 24.455 18.724 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -21.889 25.153 20.685 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -22.277 25.226 21.570 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -21.295 24.382 20.752 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -15.552 25.893 18.107 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -15.450 26.203 19.024 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -15.931 24.994 18.200 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -28.352 21.514 21.163 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -29.022 21.710 21.827 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -27.662 21.014 21.656 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -19.357 28.324 17.395 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -19.104 27.568 16.819 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -18.724 28.292 18.116 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -22.920 22.201 17.910 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -22.991 21.542 17.178 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -22.885 23.066 17.447 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -19.025 21.877 15.309 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -18.935 20.933 15.550 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -18.131 22.254 15.491 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -16.601 22.903 15.916 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -16.464 22.958 16.885 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -16.385 23.802 15.594 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -24.246 22.374 20.317 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -25.170 22.546 20.029 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -23.735 22.357 19.476 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -19.809 16.655 17.902 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -19.894 16.855 18.856 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -20.138 17.463 17.461 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -20.668 20.997 18.831 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -21.068 20.705 19.672 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -21.359 21.567 18.427 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -18.295 19.316 15.936 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -19.197 19.031 16.189 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -17.740 19.053 16.703 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -16.320 23.314 18.605 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -15.704 23.269 19.364 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -17.159 22.934 18.957 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -25.513 19.182 19.916 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -26.338 19.270 19.388 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -25.749 19.557 20.785 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -23.774 15.644 16.334 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -23.895 16.611 16.482 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -24.185 15.235 17.104 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -22.917 18.636 19.419 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -22.882 18.482 18.461 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -23.878 18.794 19.600 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -25.867 32.754 5.295 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -25.647 31.906 4.853 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -25.172 32.844 5.985 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -26.418 27.966 10.292 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -26.002 27.731 9.434 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -25.761 28.553 10.722 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -8.938 34.331 11.219 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -8.436 33.747 10.607 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -9.762 33.825 11.403 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -13.185 27.593 19.028 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -13.608 27.647 18.145 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -12.355 28.102 18.922 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -9.669 25.051 11.954 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -8.804 25.416 12.239 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -10.228 25.842 11.809 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -25.552 23.642 15.656 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -25.168 22.856 15.188 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -25.792 24.266 14.923 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -9.269 22.443 12.978 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -9.190 23.327 12.568 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -10.079 22.076 12.586 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -24.176 18.367 16.571 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -23.573 19.085 16.251 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -25.008 18.841 16.795 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -10.780 13.824 19.843 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -10.638 14.427 19.082 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -9.883 13.441 20.012 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -29.429 15.860 10.771 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -28.896 16.660 10.961 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -28.768 15.176 10.566 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -30.720 22.493 7.084 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -30.488 22.237 8.003 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -30.623 23.474 7.076 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -9.998 15.518 17.854 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -9.378 14.883 17.435 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -10.710 15.628 17.184 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -27.946 18.018 7.971 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -28.150 17.566 7.124 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -28.751 18.554 8.149 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -24.682 27.913 16.714 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -23.893 28.492 16.771 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -24.555 27.273 17.436 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -21.682 29.398 14.569 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -22.523 28.963 14.304 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -21.694 29.357 15.545 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -22.164 30.779 12.246 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -21.881 30.434 13.120 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -21.408 30.566 11.648 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -20.268 30.269 10.407 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -20.652 30.724 9.625 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -19.804 29.512 10.036 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -23.407 19.270 9.922 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -24.053 19.430 10.633 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -23.484 18.320 9.744 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -25.869 15.356 6.706 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -26.760 15.227 7.075 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -25.341 14.617 7.089 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -26.701 18.948 3.308 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -27.364 18.228 3.285 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -26.155 18.794 2.512 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -27.766 18.037 10.729 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -27.679 17.932 9.758 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -26.850 18.175 11.042 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -12.860 13.631 5.624 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -13.686 13.354 6.044 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -12.797 13.064 4.825 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -16.979 18.375 18.263 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -16.128 18.347 18.746 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -17.261 17.452 18.227 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -16.226 19.443 23.591 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -15.432 19.980 23.704 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -16.593 19.369 24.479 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -12.944 17.274 21.927 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -12.341 16.500 22.018 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -13.493 17.236 22.717 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -14.591 23.653 20.715 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -13.851 23.950 20.144 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -14.941 24.481 21.094 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -20.523 17.643 20.383 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -20.580 17.803 21.328 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -21.392 17.938 20.036 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -26.270 20.219 22.420 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -26.068 19.602 23.132 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -25.777 21.041 22.668 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -22.192 20.699 21.105 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -22.954 21.315 21.041 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -22.501 19.892 20.644 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -17.355 20.005 21.139 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -17.595 19.208 20.642 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -17.078 19.669 22.021 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -12.735 24.848 19.053 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -12.885 24.773 18.087 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -12.852 25.805 19.235 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -24.955 22.497 22.961 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -25.116 23.417 23.266 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -24.661 22.602 22.030 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -20.510 22.890 21.590 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -19.682 22.779 21.079 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -20.971 22.032 21.489 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -24.842 25.133 23.687 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -24.918 25.997 24.100 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -23.877 24.986 23.608 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -22.050 28.571 17.240 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -21.072 28.617 17.348 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -22.309 27.787 17.770 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -22.348 24.039 23.280 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -21.535 23.717 22.834 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -22.813 23.229 23.536 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -18.436 22.128 19.842 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -19.165 21.738 19.309 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -18.045 21.357 20.312 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -14.902 26.482 20.815 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -15.089 27.008 21.599 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -14.238 27.014 20.320 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -10.614 24.707 20.804 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -10.539 23.929 21.374 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -11.450 24.565 20.308 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -14.818 20.914 20.638 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -14.670 21.875 20.759 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -15.775 20.796 20.806 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -12.450 18.170 18.258 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -11.904 18.317 19.059 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -13.359 18.077 18.605 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -11.306 15.058 22.272 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -11.188 14.667 21.382 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -10.388 15.200 22.593 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -25.129 43.404 -42.975 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -24.422 43.271 -42.335 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -25.859 42.829 -42.651 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -27.092 49.269 -46.469 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -27.674 49.983 -46.749 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -26.576 49.058 -47.253 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -27.911 37.944 -46.393 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -27.905 37.241 -45.705 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -27.197 38.555 -46.116 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -26.434 42.574 -45.273 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -26.887 43.343 -45.648 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -25.771 42.961 -44.666 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -27.532 38.889 -42.764 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -27.260 39.801 -42.533 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -26.969 38.659 -43.519 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -27.223 41.652 -42.684 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -28.114 41.805 -42.299 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -27.330 41.875 -43.627 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -28.067 47.935 -44.293 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -27.634 48.396 -45.047 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -27.593 47.075 -44.234 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -28.600 44.493 -42.081 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -28.996 45.070 -41.397 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -29.103 43.660 -42.010 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -28.350 46.212 -36.925 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -28.695 46.950 -37.447 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -27.406 46.435 -36.791 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -29.774 46.032 -40.068 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -30.446 46.598 -40.530 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -29.215 46.675 -39.590 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -29.706 38.317 -38.844 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -30.235 37.803 -38.218 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -29.966 39.244 -38.675 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -30.376 36.953 -47.269 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -30.640 36.764 -46.348 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -29.427 37.166 -47.205 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -30.484 43.729 -38.773 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -30.173 44.520 -39.267 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -30.040 43.801 -37.907 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -26.779 45.508 -43.831 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -26.038 44.929 -43.581 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -27.519 45.212 -43.250 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -30.687 40.985 -38.652 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -30.569 41.956 -38.737 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -31.430 40.780 -39.270 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -30.794 35.547 -38.125 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -30.013 35.028 -38.342 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -31.216 35.723 -38.995 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -25.749 47.185 -36.997 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -25.801 48.110 -36.670 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -25.596 47.283 -37.955 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -27.157 49.830 -33.697 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -27.758 50.467 -34.142 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -26.520 49.589 -34.391 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -25.683 52.207 -34.858 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -25.500 53.152 -34.842 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -26.665 52.152 -34.894 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -29.187 43.730 -36.174 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -28.893 44.633 -36.454 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -28.456 43.412 -35.595 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -32.667 49.861 -43.597 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -32.852 50.708 -43.167 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -32.886 49.192 -42.909 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -32.063 36.359 -35.880 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -31.602 36.104 -36.713 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -32.018 35.570 -35.337 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -29.997 39.164 -43.962 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -29.733 39.631 -44.788 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -29.152 39.025 -43.485 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -31.718 36.244 -40.643 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -32.267 36.552 -41.398 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -30.802 36.477 -40.909 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -28.373 48.248 -39.148 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -28.617 48.510 -40.067 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -27.398 48.172 -39.177 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -25.666 47.983 -39.710 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -25.748 47.507 -40.549 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -25.021 48.678 -39.894 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -30.451 48.980 -45.390 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -29.702 48.489 -45.003 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -30.986 49.243 -44.622 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -26.564 38.701 -21.032 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -26.654 39.064 -20.124 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -26.334 39.475 -21.579 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -25.959 40.848 -29.403 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -26.541 41.631 -29.400 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -25.997 40.533 -30.321 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -27.653 40.997 -24.944 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -28.032 41.490 -24.187 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -27.321 41.698 -25.545 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -24.173 46.950 -24.978 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -24.917 46.301 -24.973 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -23.791 46.876 -24.096 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -29.114 39.332 -26.596 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -28.629 39.881 -25.938 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -28.431 39.052 -27.217 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -23.823 38.061 -21.073 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.796 38.065 -20.987 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -23.500 38.167 -20.155 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -20.273 42.157 -23.763 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -21.096 42.075 -24.296 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -19.596 42.377 -24.409 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -24.199 41.597 -27.390 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -23.518 41.991 -27.983 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -24.774 41.084 -28.000 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -23.501 45.612 -27.308 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -23.765 46.230 -26.595 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -22.895 45.001 -26.876 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -21.128 41.059 -21.424 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -20.367 40.540 -21.143 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -20.797 41.568 -22.204 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -23.580 50.281 -28.538 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -23.813 49.918 -27.652 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -22.774 50.806 -28.372 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -27.029 41.333 -32.106 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -27.939 41.567 -31.851 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -26.926 41.716 -32.991 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -23.490 47.102 -19.702 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -22.532 47.182 -19.511 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -23.610 47.588 -20.541 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -22.221 52.657 -31.009 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -21.597 52.606 -31.739 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -23.082 52.420 -31.414 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -18.420 38.063 -16.963 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -18.174 38.925 -17.311 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -17.741 37.878 -16.278 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -23.166 39.922 -22.945 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -22.453 40.379 -22.452 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -23.332 39.105 -22.418 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -27.072 39.511 -18.491 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -27.497 40.275 -18.084 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -27.682 38.773 -18.307 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -22.602 46.877 -31.217 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -21.658 46.721 -31.112 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -23.025 46.138 -30.720 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.507 44.511 -17.982 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -18.703 44.787 -18.475 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -19.181 44.315 -17.076 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -22.631 41.648 -25.074 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -23.137 41.553 -25.910 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -22.818 40.820 -24.583 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -19.271 44.059 -15.288 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -18.649 43.586 -14.700 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -20.153 43.871 -14.903 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -27.357 43.362 -34.143 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -27.401 43.859 -33.316 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -26.617 43.788 -34.640 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -23.944 44.922 -29.877 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -24.902 44.914 -30.059 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -23.878 45.234 -28.940 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -24.196 48.955 -21.921 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -24.620 49.309 -22.731 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -23.706 49.724 -21.557 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -26.502 34.757 -15.082 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -27.234 34.236 -14.693 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -26.900 35.187 -15.850 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -24.643 46.260 -32.967 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -23.866 46.612 -32.485 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -25.350 46.908 -32.786 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -27.227 47.370 -32.525 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -27.095 48.303 -32.804 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -28.151 47.179 -32.780 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -27.551 43.127 -29.547 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -28.303 42.816 -30.089 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -27.121 43.809 -30.108 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -21.860 52.530 -28.319 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -22.631 53.028 -28.029 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -21.897 52.580 -29.304 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -23.775 49.381 -31.197 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -23.315 48.520 -31.246 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -23.741 49.617 -30.247 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -26.452 44.985 -31.293 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -26.839 45.860 -31.505 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -25.680 44.922 -31.886 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -20.989 46.820 -18.450 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -20.203 47.350 -18.193 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -20.667 45.893 -18.419 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -25.497 45.005 -35.253 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -25.046 45.430 -34.493 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -25.469 45.684 -35.955 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -24.157 44.180 -15.386 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -24.743 44.027 -14.626 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -23.268 43.941 -15.052 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -22.540 42.631 -29.267 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -22.986 43.458 -29.547 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -22.358 42.171 -30.092 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -22.035 43.663 -17.595 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -21.077 43.843 -17.699 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -22.159 42.784 -18.014 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -21.206 46.501 -14.878 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -21.630 47.108 -15.509 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -20.463 46.122 -15.372 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -22.858 38.549 -18.476 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -23.476 38.487 -17.737 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -22.112 37.963 -18.216 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -22.474 41.348 -19.021 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -22.058 41.336 -19.908 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -22.635 40.406 -18.820 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -24.253 35.334 -13.432 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -24.812 35.040 -14.179 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -24.880 35.791 -12.836 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -20.713 36.911 -17.852 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -20.345 36.607 -18.688 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -19.955 37.359 -17.404 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -17.547 45.739 -19.443 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -17.034 45.702 -20.255 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -17.673 46.683 -19.280 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -16.774 40.066 -13.536 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -16.652 39.413 -14.258 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -15.995 39.922 -12.952 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -16.244 37.938 -15.201 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -15.438 37.735 -15.717 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -16.121 37.430 -14.367 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -20.698 34.656 -16.267 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -19.767 34.472 -16.514 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -20.931 35.450 -16.790 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -24.548 51.768 -32.206 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -24.996 51.725 -33.073 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -24.326 50.827 -32.002 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -10.174 32.848 -16.565 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -9.827 32.574 -15.690 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -9.438 32.640 -17.188 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -25.767 40.715 -22.825 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -26.260 40.530 -23.652 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -24.878 40.319 -22.980 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -28.266 34.187 -20.470 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -27.731 34.508 -21.208 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -27.975 33.256 -20.346 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -21.919 52.547 -18.101 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -20.945 52.554 -17.968 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -22.082 53.270 -18.735 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -24.388 43.149 -23.534 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -24.799 42.394 -23.082 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -23.653 42.754 -24.044 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -25.974 44.889 -24.890 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -25.446 44.332 -24.273 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -26.271 44.261 -25.578 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -28.979 37.348 -18.369 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -28.258 36.693 -18.322 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -29.764 36.854 -18.040 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -24.141 31.027 -16.147 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -24.441 31.339 -17.025 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -23.202 30.786 -16.286 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -26.170 49.864 -36.462 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -25.807 50.688 -36.084 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -26.978 50.152 -36.934 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -15.563 34.651 -16.219 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -15.051 35.481 -16.112 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -15.214 34.261 -17.050 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -14.110 42.106 -8.381 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -13.662 42.607 -9.100 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -14.503 42.810 -7.813 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -14.911 44.230 -6.880 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -15.807 44.501 -6.586 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -14.335 44.946 -6.575 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -24.609 44.875 -2.993 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -24.996 45.077 -3.860 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -23.721 44.511 -3.207 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -21.189 43.374 -6.465 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -21.163 43.288 -7.445 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -20.406 42.878 -6.160 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -19.128 42.410 -11.139 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -18.736 42.744 -11.964 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -19.150 41.443 -11.262 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -16.759 40.537 -3.293 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -16.443 41.104 -2.576 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -16.054 39.868 -3.397 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -22.238 43.928 -3.992 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -21.416 44.388 -3.717 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -22.095 43.740 -4.946 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -11.736 48.673 -6.235 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -12.100 48.999 -5.380 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -11.938 47.718 -6.228 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -18.533 53.853 -0.759 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -17.747 53.342 -0.556 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -19.226 53.198 -0.851 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -12.104 45.925 -6.361 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -12.240 46.046 -7.326 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -11.130 45.844 -6.269 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -18.659 37.931 -10.083 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -18.899 38.690 -10.661 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -18.970 37.145 -10.584 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -15.260 39.927 -9.542 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -14.912 40.774 -9.182 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -14.964 39.927 -10.480 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -19.805 45.578 -7.708 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -20.326 45.199 -6.983 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -19.970 44.970 -8.459 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -17.474 44.997 -5.988 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -17.630 45.540 -5.203 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -18.128 45.320 -6.638 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -22.529 46.136 1.305 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -22.404 46.603 2.153 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -21.802 46.448 0.756 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -17.556 42.688 -13.530 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -17.332 41.736 -13.635 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -16.708 43.111 -13.352 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -11.640 36.767 -14.307 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -10.872 36.964 -13.726 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -11.240 36.294 -15.074 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -27.236 45.310 -2.207 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -27.427 44.752 -1.424 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -26.262 45.259 -2.299 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -26.758 45.269 -4.997 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -27.068 45.495 -4.096 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -27.395 44.592 -5.304 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -10.938 45.061 -1.328 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -10.288 44.402 -1.665 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -11.224 45.548 -2.134 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -18.285 48.377 -0.564 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -18.910 48.152 0.150 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -17.491 48.708 -0.091 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -22.302 48.760 -10.646 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -21.507 48.535 -10.111 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -23.052 48.573 -10.042 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -28.594 46.840 -0.252 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -28.157 47.693 -0.189 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -28.266 46.463 -1.091 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -9.782 43.044 -13.205 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -9.699 44.027 -13.202 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -10.573 42.874 -12.678 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -19.294 35.648 -11.574 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -19.940 35.300 -10.915 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -19.812 35.701 -12.404 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -17.163 38.865 -7.788 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -17.877 38.520 -8.358 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -16.665 39.468 -8.374 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -21.384 35.535 -13.605 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -21.206 35.217 -14.510 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -22.361 35.515 -13.533 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -26.438 36.308 -11.915 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -27.148 35.696 -11.619 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -26.913 37.052 -12.295 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -19.122 39.764 -12.068 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -18.328 39.814 -12.643 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -19.864 39.757 -12.687 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -24.686 44.995 -0.017 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -24.395 45.100 -0.936 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -23.952 45.376 0.514 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -22.079 46.535 -12.282 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -21.729 46.744 -13.173 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -22.134 47.401 -11.835 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -15.338 36.726 -12.873 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -14.908 35.860 -12.886 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -15.693 36.804 -11.960 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -19.661 44.584 -3.324 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -19.722 44.057 -2.498 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -19.052 45.326 -3.086 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -16.029 37.360 -10.316 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -15.554 38.126 -9.942 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -16.978 37.592 -10.205 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -18.787 50.215 -15.705 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -18.319 50.458 -14.899 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -19.719 50.063 -15.405 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -27.499 41.988 -2.016 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -27.328 42.506 -1.189 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -26.873 42.352 -2.653 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -20.999 39.244 -1.394 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -20.623 39.355 -0.493 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -21.311 40.138 -1.636 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -17.840 46.269 -2.266 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -17.982 47.139 -1.831 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -17.580 45.677 -1.529 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -7.416 38.756 -11.512 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -7.327 39.432 -10.808 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -6.845 39.095 -12.238 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -20.414 48.063 -8.774 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -19.710 48.591 -8.388 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -20.238 47.153 -8.447 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -20.788 43.437 -9.221 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -20.111 43.047 -9.825 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -21.545 43.640 -9.817 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -26.086 43.460 -12.686 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -26.074 43.141 -11.763 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -27.012 43.381 -12.947 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -18.990 42.476 -4.982 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -19.237 43.225 -4.396 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -18.165 42.769 -5.400 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -14.061 49.433 -1.535 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -13.765 48.962 -0.729 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -15.006 49.561 -1.398 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -11.739 46.435 -9.105 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -11.431 47.297 -9.421 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -11.137 45.792 -9.543 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -22.681 48.242 -16.764 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -22.189 47.665 -17.385 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -22.969 49.004 -17.325 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -16.889 34.782 -10.325 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -16.504 35.672 -10.191 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -17.718 34.955 -10.817 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -21.295 49.755 -14.795 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -21.901 50.059 -14.090 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -21.878 49.307 -15.435 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -21.158 34.833 -9.844 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -22.066 35.116 -9.977 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -21.230 34.045 -9.270 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -22.954 50.501 -12.619 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -22.772 51.349 -12.200 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -22.699 49.836 -11.936 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -22.934 31.025 -13.288 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -22.956 30.339 -12.586 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -23.683 30.797 -13.866 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -12.333 49.144 -3.627 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -13.001 49.335 -2.924 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -11.564 49.701 -3.387 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -30.287 46.894 -15.984 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -29.485 47.313 -15.595 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -30.341 46.023 -15.545 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -23.325 50.313 -18.395 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -23.411 50.496 -19.353 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -22.815 51.091 -18.053 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -19.694 47.587 1.770 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -20.394 47.783 2.429 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -18.857 47.648 2.282 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -27.054 43.657 0.035 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -27.636 43.994 0.757 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -26.183 44.091 0.205 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -19.634 43.069 -1.068 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -20.062 42.810 -0.214 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -18.813 43.531 -0.790 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -18.704 47.873 -17.237 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -18.733 48.759 -16.815 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -18.143 47.352 -16.653 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -24.807 39.575 0.160 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -24.921 40.505 0.370 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -25.652 39.323 -0.271 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -22.651 44.147 -11.149 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -22.451 45.063 -11.456 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -23.598 44.043 -11.314 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -21.725 43.933 -13.893 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -21.903 43.834 -12.939 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -21.682 44.901 -14.028 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -12.853 43.901 -10.102 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -13.101 44.814 -9.896 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -11.884 43.944 -10.237 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -21.107 41.602 -2.833 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -21.688 42.262 -3.261 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -20.593 42.127 -2.178 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -22.934 35.148 1.145 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -23.006 36.066 0.797 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -22.027 34.892 0.948 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -25.573 50.090 -13.616 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -24.751 50.292 -13.128 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -26.205 49.819 -12.925 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -25.292 46.156 -7.246 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -25.296 45.335 -7.751 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -25.808 45.944 -6.439 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -9.763 50.187 -3.209 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -9.394 50.756 -2.527 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -9.464 49.280 -2.954 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -9.481 46.409 0.542 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -8.694 46.220 -0.017 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -10.223 45.995 0.046 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -13.459 48.064 0.781 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -12.558 48.364 1.048 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -13.424 47.103 0.874 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -10.133 44.482 -10.112 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -9.369 44.643 -10.698 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -9.727 44.112 -9.289 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -11.614 46.481 -3.582 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -11.997 46.189 -4.429 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -11.925 47.409 -3.487 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -7.203 42.496 -12.537 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -8.098 42.695 -12.884 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -6.974 43.295 -12.010 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -14.496 39.345 -12.157 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -14.686 38.408 -12.364 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -13.713 39.559 -12.721 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -27.216 39.355 -1.140 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -27.696 38.753 -1.755 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -27.376 40.249 -1.506 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -11.081 36.156 -8.600 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -10.214 36.140 -8.147 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -10.957 35.578 -9.362 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -12.532 39.328 -14.007 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -12.281 38.383 -14.041 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -12.088 39.719 -14.789 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -23.963 48.199 -8.513 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -23.207 48.355 -7.933 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -24.444 47.453 -8.085 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -14.819 33.366 -9.172 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -15.531 33.873 -9.622 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -14.950 32.461 -9.473 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -28.138 48.176 -14.757 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -27.924 48.258 -13.799 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -27.280 48.295 -15.201 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -19.232 52.273 -17.558 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -19.066 51.525 -16.950 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -18.388 52.725 -17.613 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -22.078 30.158 4.599 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -21.695 30.447 5.439 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -22.571 29.333 4.829 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -25.825 47.222 -18.105 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -25.842 47.860 -17.360 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -25.126 47.558 -18.693 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -7.233 48.432 0.676 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -6.659 48.634 -0.075 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -8.071 48.171 0.272 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -17.265 43.443 5.910 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -16.997 43.882 5.075 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -18.236 43.486 5.900 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -11.238 38.112 12.156 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -11.970 37.469 12.114 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -11.687 38.985 12.073 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -22.457 37.189 11.494 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -22.587 37.053 12.439 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -22.714 36.325 11.090 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -20.610 34.044 9.568 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -20.798 33.122 9.282 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.300 34.232 10.229 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -23.073 39.079 9.573 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -22.963 38.485 10.348 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -23.539 38.536 8.926 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -16.820 44.567 3.381 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -17.691 44.608 2.927 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -16.230 44.145 2.727 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -13.430 34.359 11.061 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -14.356 34.045 10.995 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -13.507 35.339 11.070 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -21.428 31.693 8.401 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -20.993 31.994 7.563 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -22.378 31.717 8.195 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -15.706 41.566 7.220 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -15.106 41.518 6.470 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -16.356 42.256 6.959 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -23.260 41.763 8.941 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -23.136 40.801 9.097 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -23.651 42.084 9.759 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -22.446 40.392 4.273 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -23.284 40.707 3.922 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -22.389 39.461 3.959 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -7.966 44.487 1.804 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -8.713 45.072 1.573 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -7.924 43.845 1.055 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -22.436 37.944 3.110 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -22.915 37.156 3.445 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -22.574 37.913 2.140 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -14.288 40.467 9.327 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -14.770 40.933 8.607 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -14.979 40.238 9.965 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -29.725 39.112 3.029 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -29.594 38.987 2.067 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -29.285 38.329 3.432 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -20.310 38.574 10.304 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -20.970 39.043 9.771 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -20.840 37.956 10.844 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -22.464 35.179 7.782 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -22.255 35.050 6.832 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -21.627 34.967 8.240 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -23.527 35.533 3.840 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -22.875 35.056 4.404 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -23.362 35.188 2.938 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -15.501 39.114 11.689 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -15.900 39.197 12.564 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -16.274 38.974 11.085 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -22.782 37.780 0.315 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -23.576 38.369 0.269 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -22.194 38.122 -0.386 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -17.593 38.872 9.993 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -18.557 38.791 10.181 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -17.553 39.078 9.054 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -23.190 34.822 10.425 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -23.567 33.918 10.558 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -23.209 34.949 9.455 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -22.781 43.390 6.813 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -23.496 43.118 6.225 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -22.908 42.830 7.619 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -19.192 44.855 2.076 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -19.605 45.732 1.941 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -19.943 44.250 2.190 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -20.073 43.436 6.456 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -19.693 43.273 7.328 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -21.046 43.379 6.604 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -17.265 47.446 3.145 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -17.150 47.935 3.994 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -16.965 46.539 3.350 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -15.391 43.359 1.100 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -15.461 42.454 0.738 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -14.457 43.620 0.913 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -21.774 47.576 3.603 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -22.346 48.253 3.981 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -21.681 46.910 4.327 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -21.627 45.738 5.618 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -22.268 45.190 6.105 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -20.806 45.224 5.650 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -13.606 37.111 11.038 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -14.319 37.755 11.219 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -13.149 37.476 10.247 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -32.054 40.029 4.044 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -31.892 40.245 4.967 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -31.184 39.693 3.718 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -16.106 48.863 1.025 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -15.149 48.657 1.019 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -16.456 48.353 1.782 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -20.599 42.158 1.264 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -20.631 42.332 2.232 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -20.502 41.189 1.204 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -17.538 44.559 -0.099 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -18.069 44.803 0.690 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -16.695 44.222 0.277 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -20.599 42.369 3.934 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -20.276 42.659 4.805 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -21.202 41.617 4.139 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -12.790 43.953 0.429 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -12.095 43.484 0.943 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -12.286 44.453 -0.242 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -10.395 36.478 10.086 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -9.949 35.751 10.554 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -10.546 37.153 10.780 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -12.487 38.444 8.872 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -13.075 39.227 8.981 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -11.609 38.823 8.748 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -12.928 40.239 11.897 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -13.826 39.867 11.963 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -12.977 40.839 11.140 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -17.930 34.605 9.677 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -18.024 35.558 9.774 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -18.855 34.280 9.594 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -11.225 32.855 11.294 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -12.011 33.451 11.211 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -11.259 32.544 12.229 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -23.913 32.225 10.741 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -23.222 31.844 11.328 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -24.593 31.536 10.704 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -24.942 30.336 4.274 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -24.119 30.748 3.961 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -24.636 29.522 4.738 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -19.032 30.307 5.863 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -19.361 30.103 4.958 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -19.528 31.119 6.120 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -22.243 32.414 3.118 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -22.008 31.540 3.496 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -22.035 33.046 3.836 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -28.601 50.739 -37.789 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -29.268 51.367 -38.131 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -28.770 49.914 -38.288 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -28.359 51.717 -35.216 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -28.494 51.494 -36.162 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -29.272 51.879 -34.878 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -30.367 57.810 -35.682 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -29.697 57.728 -34.996 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -31.178 57.450 -35.268 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -27.802 57.551 -28.041 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -27.182 57.614 -27.292 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -28.245 56.694 -27.913 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -23.059 56.410 -25.613 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -22.076 56.485 -25.587 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -23.248 56.159 -26.523 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -26.024 57.459 -25.856 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -25.679 56.693 -25.351 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -25.258 58.038 -25.957 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -25.980 53.033 -25.104 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -25.807 53.366 -26.014 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -25.770 53.800 -24.531 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -20.349 56.375 -25.963 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -20.159 55.472 -26.307 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -19.494 56.814 -25.972 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -24.043 49.554 -25.905 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -24.045 48.614 -25.634 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -24.444 50.021 -25.149 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -25.455 53.754 -21.027 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -26.121 53.162 -20.614 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -25.963 54.567 -21.250 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -19.876 53.871 -26.966 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -19.133 53.265 -26.913 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -20.569 53.359 -27.438 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -31.271 54.785 -26.658 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -30.466 54.959 -27.192 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -31.783 55.618 -26.718 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -30.251 56.320 -32.635 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -30.977 56.376 -33.285 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -30.189 55.361 -32.424 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -29.032 55.060 -28.219 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -29.451 55.504 -28.990 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -28.758 54.185 -28.564 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -25.755 54.113 -27.618 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -25.495 53.484 -28.326 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -26.378 54.713 -28.051 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -26.798 56.052 -21.700 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -27.193 56.313 -22.556 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -27.431 56.391 -21.033 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -27.939 52.574 -29.066 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -28.351 52.253 -29.892 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -26.979 52.420 -29.208 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -25.518 50.645 -23.728 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -25.654 51.495 -24.203 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -26.256 50.603 -23.100 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -25.126 55.466 -24.148 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -24.237 55.727 -24.486 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -25.078 55.630 -23.194 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -22.802 54.079 -20.318 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -22.504 54.864 -20.789 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -23.771 54.051 -20.486 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -29.432 52.920 -18.650 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -29.539 52.226 -17.963 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -28.671 52.608 -19.189 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -23.502 51.396 -20.907 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -22.858 52.096 -20.686 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -24.285 51.887 -21.210 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -25.983 50.670 -17.809 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -25.029 50.660 -18.025 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -26.044 50.156 -16.987 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -31.452 53.956 -16.502 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -31.029 53.137 -16.825 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -31.174 54.007 -15.567 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -28.244 52.034 -26.351 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -27.422 52.297 -25.888 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -28.075 52.264 -27.290 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -28.056 56.762 -24.079 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -28.240 55.965 -24.593 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -27.467 57.288 -24.657 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -25.251 52.218 -29.515 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -25.121 52.168 -30.486 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -24.729 51.462 -29.165 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -28.387 51.485 -31.649 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -27.788 50.996 -32.241 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -28.795 50.786 -31.090 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -26.836 49.429 -21.195 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -27.320 48.610 -21.018 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -25.901 49.150 -21.234 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -25.395 48.725 -15.884 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -24.454 48.470 -15.949 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -25.438 49.274 -15.061 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -28.435 55.041 -15.371 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -28.584 55.170 -16.331 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -27.691 55.618 -15.167 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -27.207 51.865 -19.924 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -26.800 51.548 -19.082 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -27.220 51.065 -20.493 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.451 -27.583 23.291 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -5.757 -27.172 22.726 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.244 -28.542 23.263 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -7.068 -29.624 20.093 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -7.599 -30.434 19.914 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -6.584 -29.474 19.274 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -4.933 -26.182 21.508 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -4.949 -26.102 20.533 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -4.030 -25.894 21.752 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -11.142 -31.799 20.467 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -11.649 -32.167 21.221 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -11.495 -30.884 20.366 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -1.194 -21.045 19.145 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -0.418 -21.095 18.574 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -0.937 -20.423 19.843 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -8.467 -27.640 21.450 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -7.881 -27.518 22.225 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -8.054 -28.378 20.956 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -6.056 -30.227 22.612 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -6.281 -29.963 21.696 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -6.515 -31.088 22.727 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -10.110 -33.135 23.375 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -11.042 -32.898 23.208 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -10.129 -34.107 23.489 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -2.865 -23.282 19.615 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -3.686 -22.849 19.281 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -2.170 -22.604 19.483 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -6.741 -23.349 16.550 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -6.663 -23.562 15.613 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -7.200 -22.469 16.559 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -7.721 -32.410 22.245 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -7.955 -32.287 21.306 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -8.578 -32.603 22.683 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -10.601 -34.086 19.044 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -10.095 -34.621 19.701 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -10.839 -33.272 19.536 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -9.586 -25.850 19.788 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -8.746 -25.553 19.357 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -9.296 -26.584 20.388 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -4.506 -25.430 18.891 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -3.887 -24.713 19.147 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -4.173 -25.736 18.039 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -2.510 -24.884 21.816 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -1.575 -25.121 21.853 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -2.574 -24.265 21.053 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -7.272 -24.977 18.699 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -6.339 -25.227 18.852 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -7.239 -24.430 17.885 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -3.551 -20.000 18.023 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -2.677 -20.279 18.345 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -4.077 -20.821 18.023 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -8.587 -30.113 30.939 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -7.816 -29.511 30.953 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -8.462 -30.677 31.733 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -11.731 -27.482 30.230 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -10.778 -27.245 30.276 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -11.726 -28.447 30.098 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -11.719 -32.385 26.130 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -12.262 -32.113 26.904 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -11.440 -31.541 25.729 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -7.584 -28.355 28.116 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -7.639 -27.867 27.260 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -7.933 -29.254 27.905 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -9.881 -25.073 28.401 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -9.767 -24.184 28.783 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -9.541 -25.677 29.092 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -2.406 -25.050 29.232 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -1.511 -25.145 28.893 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -2.500 -24.081 29.396 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -7.261 -26.963 25.814 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -7.036 -27.182 24.884 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -6.417 -26.676 26.199 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -10.055 -35.948 23.573 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -10.817 -35.743 24.169 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -9.622 -36.698 23.994 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -9.000 -32.773 25.988 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -8.953 -32.901 25.028 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -9.950 -32.882 26.194 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -8.012 -31.656 33.133 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -7.660 -31.472 34.010 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -8.069 -32.616 33.095 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -2.458 -22.345 29.539 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.228 -21.806 29.326 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -1.729 -21.707 29.591 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -2.960 -23.631 26.303 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -3.097 -24.307 26.980 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -3.432 -23.980 25.517 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -9.001 -27.032 30.078 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -8.598 -27.510 29.322 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -8.342 -27.117 30.786 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -4.101 -24.717 24.049 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -4.008 -25.631 24.423 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -3.459 -24.697 23.308 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -4.968 -27.409 27.539 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.707 -28.015 27.713 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -4.603 -27.216 28.425 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -8.545 -30.861 27.814 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -8.599 -31.563 27.119 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -8.238 -31.332 28.602 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -4.014 -27.077 30.113 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -3.337 -27.591 30.566 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -3.551 -26.244 29.856 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -3.803 -27.153 25.101 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -4.118 -27.277 26.022 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -3.754 -28.067 24.742 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -9.178 -35.060 21.130 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -8.379 -34.672 21.509 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -9.592 -35.535 21.884 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -1.930 -21.153 26.116 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -2.247 -22.089 26.184 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -2.012 -20.942 25.168 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -3.893 -29.732 24.209 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -4.649 -29.945 23.621 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -3.358 -30.530 24.205 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -12.841 -25.408 31.655 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -13.632 -25.192 31.126 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -12.449 -26.177 31.192 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -7.173 -22.305 32.496 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -6.762 -22.415 31.630 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -7.111 -21.336 32.669 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -6.484 -28.282 30.653 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -5.626 -27.813 30.631 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -6.735 -28.362 29.713 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -0.398 -20.520 28.360 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 0.435 -21.043 28.287 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -0.927 -20.802 27.579 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -9.371 -12.481 14.778 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -9.084 -12.597 13.866 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -9.150 -11.546 14.980 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -2.820 -11.800 20.610 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -3.477 -11.869 19.879 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -1.993 -12.094 20.213 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -6.062 -18.924 17.808 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.089 -19.078 17.759 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -6.146 -17.959 17.927 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -4.772 -11.673 18.770 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -5.354 -12.127 18.146 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -4.756 -10.744 18.448 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -5.330 -13.795 23.384 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -5.409 -13.600 22.427 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -4.830 -14.629 23.418 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -4.896 -16.683 20.812 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -5.211 -16.308 19.969 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -5.622 -17.272 21.091 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -6.182 -12.683 20.975 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -7.014 -12.447 20.518 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -5.485 -12.336 20.387 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -7.358 -10.539 17.216 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -6.536 -10.002 17.218 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -7.795 -10.304 16.371 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -2.627 -10.004 16.142 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -2.639 -10.782 15.574 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -1.735 -9.654 16.049 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -6.922 -20.554 19.820 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -6.681 -19.982 19.052 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -7.782 -20.950 19.563 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -1.936 -14.074 24.362 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -2.645 -14.743 24.319 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -1.649 -14.091 25.302 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -4.913 -9.221 17.461 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -4.900 -8.264 17.603 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -4.091 -9.401 16.948 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -7.716 -20.862 16.722 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -7.125 -20.096 16.873 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -8.611 -20.507 16.890 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -2.473 -11.616 23.333 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -2.663 -11.761 22.384 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -2.279 -12.514 23.678 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -3.934 -16.030 24.481 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -3.296 -16.649 24.917 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -4.507 -15.724 25.218 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -0.035 -18.042 20.962 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -0.045 -17.522 20.153 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -0.881 -17.807 21.407 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -2.448 -17.218 21.953 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -2.510 -16.499 22.595 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -3.256 -17.112 21.398 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -5.291 -18.487 23.597 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -5.926 -18.419 22.852 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -4.935 -17.583 23.689 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -5.111 -22.243 18.551 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -5.759 -21.727 19.074 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -5.650 -22.655 17.842 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 2.581 -17.848 25.352 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 2.342 -17.900 24.393 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 3.533 -17.989 25.364 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -2.670 -19.505 23.578 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -2.407 -18.896 22.861 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -3.642 -19.421 23.613 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -2.181 -17.727 25.614 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -2.148 -18.436 24.935 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -1.308 -17.788 26.066 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -9.636 -15.128 15.706 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -10.266 -15.427 15.011 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -9.380 -14.229 15.419 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -11.460 -15.626 13.706 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -12.169 -14.966 13.509 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -11.467 -16.213 12.944 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -10.122 -19.762 17.618 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -10.778 -20.231 17.045 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -10.357 -18.819 17.524 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -8.749 -9.769 14.913 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -9.412 -9.228 15.401 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -8.604 -9.270 14.085 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 0.464 -4.892 19.870 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -0.454 -4.944 19.504 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 1.031 -4.904 19.090 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -6.230 -5.694 18.625 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -7.034 -5.268 18.266 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -5.523 -5.047 18.458 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -10.588 -8.045 15.939 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -10.703 -7.115 16.229 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -11.114 -8.103 15.113 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -4.361 -3.844 13.145 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -3.534 -4.285 12.920 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -4.457 -3.990 14.120 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -1.007 -14.004 26.925 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -0.737 -13.089 27.171 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -0.157 -14.475 26.789 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -6.614 -12.684 32.711 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -6.674 -13.200 33.542 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -5.740 -12.902 32.363 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -3.541 -12.408 33.899 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -3.715 -11.701 33.245 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -2.998 -11.981 34.569 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -8.083 -16.893 30.854 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -7.369 -16.399 30.413 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -8.076 -16.555 31.774 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 1.404 -5.724 29.648 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 2.137 -5.450 29.057 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 1.754 -5.587 30.535 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -1.219 -9.505 31.821 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -0.333 -9.723 32.122 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -1.092 -8.720 31.248 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -4.663 -18.359 29.475 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -3.847 -18.451 30.012 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -4.410 -18.729 28.600 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.744 -14.941 30.876 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -3.924 -13.979 30.787 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -3.292 -15.178 30.034 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -8.084 -19.841 35.822 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -8.693 -19.365 35.225 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -8.363 -20.763 35.760 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -0.342 -11.412 27.353 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -0.813 -10.561 27.214 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 0.457 -11.330 26.808 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -3.796 -10.306 32.048 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -4.184 -9.513 31.644 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -2.825 -10.115 32.059 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -7.920 -16.216 33.518 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -7.757 -15.395 34.018 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -7.069 -16.707 33.588 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 1.104 -15.634 26.209 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 0.562 -16.336 26.621 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 1.880 -16.113 25.862 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 0.216 -18.189 26.831 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 0.169 -18.950 27.441 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 1.089 -18.286 26.391 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -2.859 -11.050 28.809 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -3.269 -11.732 29.377 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -1.968 -11.395 28.622 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -4.127 -15.083 33.580 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -3.769 -14.187 33.769 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -3.946 -15.213 32.620 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -0.885 -7.408 30.053 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 0.071 -7.331 29.895 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -1.249 -6.584 29.679 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -8.608 -10.959 32.064 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -7.969 -11.694 32.238 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -8.476 -10.356 32.804 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 0.378 -5.762 24.043 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -0.023 -5.895 23.160 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 0.333 -6.656 24.458 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -0.641 -6.720 21.671 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -0.237 -7.558 21.411 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -0.265 -6.065 21.041 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -5.465 -19.036 35.948 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -5.099 -19.406 36.754 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -6.410 -19.318 35.960 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 2.160 -17.973 22.675 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 1.338 -18.037 22.144 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 2.863 -17.986 22.020 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -6.401 -14.320 34.952 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -6.205 -14.236 35.892 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.568 -14.668 34.562 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -5.891 -15.860 29.419 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -5.597 -16.793 29.321 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -5.214 -15.463 30.009 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -6.170 -19.636 25.943 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -5.331 -19.594 26.456 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -5.951 -19.194 25.095 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -5.543 -17.500 33.719 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -4.855 -16.803 33.716 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -5.358 -18.018 34.540 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -3.757 -19.387 27.131 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -3.273 -18.609 26.784 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -3.195 -20.148 26.873 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -7.948 -20.542 27.772 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -7.221 -20.443 27.124 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -7.528 -20.322 28.638 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -4.593 -12.402 30.495 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -4.527 -11.594 31.052 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -5.459 -12.319 30.049 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 0.808 -13.334 24.575 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 1.109 -14.145 25.028 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -0.083 -13.559 24.251 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -2.525 -8.960 23.738 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -2.996 -8.836 22.891 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -2.432 -9.941 23.812 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -1.705 -9.121 26.786 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -1.055 -8.810 26.126 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -2.138 -8.298 27.097 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -7.545 -23.418 34.967 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -7.465 -23.065 34.058 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -6.641 -23.600 35.230 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 1.882 -21.964 27.901 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 2.014 -22.521 27.126 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 2.736 -21.969 28.348 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -12.340 -23.057 35.555 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -11.957 -23.650 34.862 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -11.903 -23.336 36.369 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -0.061 -8.339 24.728 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -0.850 -8.601 24.205 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 0.501 -9.150 24.738 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 1.328 -10.671 24.838 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 1.087 -11.613 24.669 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 2.267 -10.628 24.630 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -5.367 -15.224 26.710 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -6.158 -15.603 26.262 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -5.579 -15.293 27.664 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -3.005 -15.208 28.270 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -3.682 -15.316 27.582 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -2.240 -14.812 27.797 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -6.823 -7.003 26.463 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -6.170 -6.962 27.195 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -7.414 -6.242 26.632 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -10.922 -12.025 30.888 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -10.073 -11.686 31.242 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -11.561 -11.346 31.117 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -7.064 -12.944 29.005 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -7.757 -13.096 28.321 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -6.873 -13.833 29.345 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -9.452 -18.482 33.716 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -10.380 -18.336 33.453 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -9.051 -17.584 33.689 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -11.265 -24.795 33.761 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -10.934 -25.681 33.946 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -11.856 -24.918 32.975 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -10.422 -6.072 30.669 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -9.704 -6.559 30.201 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -10.903 -6.759 31.138 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.582 -10.246 29.588 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -8.006 -10.396 30.457 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -7.382 -11.147 29.266 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -3.455 -8.536 29.733 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -3.272 -9.450 29.417 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -2.568 -8.161 29.899 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -6.959 -19.661 30.083 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -7.054 -19.644 31.061 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -6.127 -19.161 29.918 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -2.043 -19.222 30.166 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -1.457 -19.561 29.460 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -1.439 -18.938 30.858 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -3.427 -6.703 21.185 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -2.495 -6.694 21.486 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -3.652 -7.659 21.130 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -1.375 13.853 -6.123 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -0.821 14.597 -5.787 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -1.037 13.082 -5.657 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -5.507 11.981 -9.753 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -4.970 11.187 -9.699 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -6.424 11.644 -9.866 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -11.261 14.118 1.702 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -10.275 14.054 1.713 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -11.432 15.066 1.639 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -6.709 16.780 -11.534 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -6.514 15.941 -11.060 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -6.020 16.828 -12.229 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -7.985 10.952 -10.169 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -8.751 10.761 -9.618 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -8.328 10.939 -11.069 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -9.944 13.652 -4.365 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -9.066 13.970 -4.136 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -10.389 14.431 -4.758 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -6.338 17.795 -2.289 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -5.815 17.189 -2.822 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -6.247 17.458 -1.387 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -3.222 16.865 -6.130 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -2.766 17.107 -6.961 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -4.121 17.247 -6.227 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -11.369 11.555 -3.443 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -10.784 12.301 -3.721 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -11.310 10.927 -4.173 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -6.762 15.299 -7.426 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -6.609 15.126 -8.383 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -6.060 14.777 -6.979 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -4.315 14.350 -6.462 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -3.882 15.201 -6.251 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -3.676 13.686 -6.176 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -1.609 6.987 15.783 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -2.100 6.309 15.271 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -2.287 7.367 16.379 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -10.881 1.307 6.932 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -10.013 1.122 7.344 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -11.264 2.010 7.494 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -0.357 12.510 15.273 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -0.315 12.028 16.113 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 0.155 11.954 14.652 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -8.466 -4.314 9.160 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -9.181 -3.688 9.323 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -8.198 -4.139 8.252 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -10.595 1.171 10.023 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -9.719 1.048 9.608 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -10.948 1.978 9.598 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -5.109 3.897 12.929 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -5.492 3.065 13.297 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -4.910 3.676 12.010 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -4.513 0.385 15.982 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -4.452 -0.340 15.325 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -5.038 1.065 15.529 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -7.707 -0.910 13.669 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -7.955 -1.584 13.015 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -8.551 -0.705 14.134 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -11.744 8.683 7.520 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -11.323 9.431 7.042 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -12.701 8.866 7.448 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -8.044 5.965 11.038 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -7.396 6.344 11.664 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -8.549 6.738 10.711 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 0.869 10.932 13.358 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 1.164 10.211 13.967 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 1.646 11.112 12.816 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -1.349 12.443 12.299 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -2.041 12.292 12.979 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -0.617 11.851 12.568 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -8.456 9.103 18.073 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -9.052 8.714 17.399 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -8.343 8.389 18.734 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -8.072 3.793 5.204 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -7.355 3.562 4.606 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.834 3.252 4.886 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -1.006 9.602 21.267 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -1.919 9.279 21.348 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -0.805 9.524 20.311 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -6.481 14.065 11.375 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -7.332 14.126 10.934 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -5.899 14.661 10.858 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -4.908 -3.976 15.773 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -4.607 -3.938 16.702 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -5.846 -3.708 15.814 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -3.895 -9.356 21.409 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -4.680 -9.687 21.900 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -3.471 -10.170 21.061 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -6.098 6.481 13.005 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -5.317 6.971 13.286 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -5.801 5.546 12.984 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.990 1.396 13.674 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -6.812 0.870 13.681 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.296 0.741 13.467 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -0.848 4.575 21.796 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -1.150 4.902 20.944 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 0.036 4.188 21.603 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -11.830 -1.586 13.250 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -11.086 -1.216 13.767 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -12.438 -1.944 13.935 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -10.196 2.313 4.483 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -11.039 2.350 3.991 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -10.423 1.847 5.311 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -3.482 5.193 14.798 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -3.685 4.619 15.544 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -3.945 4.776 14.044 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -8.420 1.506 8.382 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -8.445 2.446 8.680 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -7.557 1.415 7.964 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -4.910 -1.166 13.721 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -5.880 -1.269 13.675 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -4.564 -2.031 13.424 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -4.384 1.979 18.210 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -4.285 1.332 17.483 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -5.087 2.579 17.898 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -1.052 5.973 24.119 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -0.999 5.366 23.347 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -0.411 6.664 23.920 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 4.111 7.920 19.505 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 3.317 8.299 19.057 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 4.812 8.007 18.851 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 1.047 6.834 16.316 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 1.243 5.902 16.469 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 0.089 6.843 16.080 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -3.639 12.122 13.868 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -4.123 12.985 13.879 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -4.008 11.653 13.089 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -8.710 4.110 9.184 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -8.426 4.661 9.954 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -8.675 4.730 8.422 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -4.290 11.252 11.305 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -4.231 12.167 10.971 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -3.883 10.723 10.614 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 1.956 9.158 15.131 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 1.682 8.241 15.335 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 2.293 9.494 15.974 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -9.153 5.590 6.933 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -8.755 4.952 6.289 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -10.110 5.502 6.796 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -0.359 2.494 19.283 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -0.075 1.617 19.610 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 0.328 3.103 19.618 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -7.615 -6.006 11.100 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -6.998 -6.582 10.634 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -7.978 -5.417 10.393 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -5.203 10.264 19.401 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -5.180 10.676 20.286 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -4.723 9.436 19.515 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -0.341 11.730 22.776 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -0.456 10.926 22.218 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -0.574 11.431 23.672 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 4.185 7.929 22.284 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 4.189 8.825 22.627 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 4.195 8.043 21.311 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -3.033 6.457 25.868 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -2.297 6.112 25.302 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -3.187 7.362 25.521 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -3.415 -1.249 18.095 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -2.969 -0.610 18.690 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -3.661 -0.717 17.317 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 1.534 3.685 20.849 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 2.232 4.384 20.896 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 1.972 2.886 21.204 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -4.323 -3.724 18.474 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -4.534 -3.687 19.433 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -3.960 -2.822 18.274 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -2.341 0.555 19.893 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -1.453 0.261 20.191 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -2.161 1.374 19.393 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 0.330 0.171 20.546 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 1.140 0.559 20.946 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 0.419 -0.792 20.715 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 0.409 -2.481 21.286 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 0.495 -3.269 20.709 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 0.946 -2.706 22.077 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -2.135 -5.194 19.279 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -2.696 -5.712 19.894 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.775 -4.673 18.757 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -1.219 18.079 2.441 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -1.405 17.253 1.942 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -0.787 18.665 1.784 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -8.213 8.048 6.326 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -7.422 8.194 6.851 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -8.498 7.138 6.566 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -7.077 -3.838 12.825 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -6.095 -3.848 12.810 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -7.331 -4.573 12.232 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -13.169 0.523 5.477 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -12.960 1.104 4.713 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -12.345 0.519 6.006 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -8.502 -4.544 17.582 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -9.298 -4.972 17.208 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -8.156 -3.994 16.840 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -8.184 7.186 20.033 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -8.955 7.391 20.593 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -7.411 7.303 20.635 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -0.901 13.564 20.874 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -0.622 12.968 21.613 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -0.828 13.002 20.074 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -8.582 13.499 16.570 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -7.946 14.196 16.303 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -8.027 12.824 17.009 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -3.243 13.071 16.549 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -3.173 12.691 15.650 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -2.606 13.811 16.548 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -0.428 9.827 18.595 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -0.721 9.632 17.678 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -0.524 10.801 18.670 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 2.043 8.798 18.007 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 1.248 9.236 18.383 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 1.678 8.057 17.482 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -1.053 9.711 15.958 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -1.126 8.771 15.703 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -1.485 10.186 15.239 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -9.369 16.071 6.840 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -9.683 15.275 7.314 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -9.980 16.147 6.076 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -8.514 11.665 3.057 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -8.990 12.170 3.746 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -8.637 10.735 3.316 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -1.755 3.819 26.711 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -2.022 4.730 26.879 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -1.710 3.412 27.599 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.355 7.185 28.226 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.965 6.427 28.369 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -3.772 6.888 27.495 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -8.519 1.624 24.852 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -8.577 2.383 25.469 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -8.646 2.027 23.964 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -6.999 2.501 28.167 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -7.632 2.926 27.547 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -7.196 1.541 28.084 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -4.433 4.584 30.826 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -5.097 4.743 30.123 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -4.239 5.484 31.173 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -5.794 -2.687 26.668 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -5.769 -2.775 27.646 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -6.736 -2.531 26.469 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 3.442 -4.774 28.022 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 2.749 -4.747 27.312 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 4.169 -5.268 27.624 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -7.540 -0.200 27.777 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -7.942 -0.829 27.149 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -7.750 -0.578 28.654 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 0.253 1.132 27.599 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 0.481 0.310 28.072 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -0.409 1.567 28.179 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -1.133 10.857 25.349 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -0.388 11.039 25.932 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -1.765 11.594 25.528 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.084 -2.830 29.367 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -5.459 -2.114 29.624 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -6.953 -2.506 29.681 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -7.378 6.368 25.816 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -8.098 6.855 25.358 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -6.615 6.466 25.230 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -5.211 -6.822 28.636 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -4.699 -7.526 29.101 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -5.489 -6.226 29.343 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 2.509 1.267 21.836 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 3.457 1.132 21.728 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 2.346 1.083 22.789 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -4.156 7.269 31.007 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -4.610 8.067 31.289 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -4.111 7.348 30.034 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -4.526 2.139 29.454 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -4.482 2.907 30.061 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -5.356 2.280 28.949 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 2.065 0.740 24.516 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 2.708 0.835 25.229 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 1.410 1.466 24.685 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -7.913 -4.827 27.733 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -8.201 -4.074 27.185 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -7.357 -4.423 28.416 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 3.397 5.608 21.004 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 3.581 6.204 20.258 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 3.636 6.136 21.791 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -2.265 -2.643 22.162 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -1.370 -2.499 21.793 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -2.782 -2.972 21.414 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -4.625 -0.566 30.062 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -4.726 0.370 29.787 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -3.818 -0.570 30.585 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 0.254 2.547 25.286 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -0.391 3.263 25.450 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 0.300 2.070 26.146 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 0.861 -1.220 29.012 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 0.708 -1.092 29.955 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 1.799 -1.527 28.960 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -10.987 -3.282 27.529 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -10.921 -3.204 28.503 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -11.119 -4.248 27.376 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -3.387 -2.003 25.615 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.791 -2.158 26.358 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -4.287 -2.128 25.997 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -5.913 0.847 25.590 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -6.176 0.403 26.410 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -6.758 1.100 25.176 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -1.768 2.330 29.074 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -1.620 2.690 29.977 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -2.725 2.116 29.060 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 1.684 -3.372 23.529 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 2.606 -3.523 23.769 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 1.241 -4.226 23.729 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 0.332 -1.403 24.862 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 0.787 -2.086 24.323 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 0.919 -0.620 24.796 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -2.059 3.387 31.599 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -1.792 3.769 32.442 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -2.912 3.825 31.395 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -4.709 9.699 27.147 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -4.478 10.300 27.863 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -4.721 8.811 27.573 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -6.082 5.060 28.684 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -6.473 4.171 28.538 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -6.866 5.661 28.733 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -4.770 4.305 25.629 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -5.302 4.329 26.435 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -4.159 5.063 25.720 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -3.765 9.188 22.107 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -3.508 9.030 23.042 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -4.148 10.085 22.115 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -5.312 11.608 21.788 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -5.462 12.415 21.240 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -6.170 11.450 22.218 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -0.479 -2.727 27.139 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -0.292 -2.238 26.306 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -0.079 -2.162 27.841 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -6.313 11.119 25.333 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -6.648 10.361 24.818 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.747 10.710 26.016 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -2.875 -6.701 27.153 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -3.712 -6.598 27.651 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -2.246 -6.096 27.611 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -2.871 12.888 25.781 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -3.346 13.092 24.945 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -3.026 13.660 26.332 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -10.486 8.295 21.308 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -10.603 8.812 22.137 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -10.416 8.971 20.615 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -10.585 -3.383 30.287 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -10.420 -4.356 30.382 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -11.330 -3.215 30.875 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -7.374 9.091 23.689 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -8.118 8.592 24.088 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -7.805 9.885 23.290 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -4.215 13.564 23.473 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -3.857 14.191 22.808 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -4.408 12.756 22.959 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -3.222 9.060 24.879 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -2.384 9.560 24.995 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -3.809 9.413 25.579 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -6.075 7.700 21.727 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -6.524 8.106 22.498 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -5.162 8.045 21.777 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -8.447 -1.671 30.044 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -9.201 -2.304 30.058 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -8.518 -1.201 30.882 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -1.036 -5.144 28.404 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -0.127 -5.296 28.743 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -0.992 -4.255 27.994 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -8.586 -7.608 29.345 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -8.124 -7.200 28.600 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -8.198 -8.507 29.406 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 3.381 -2.229 29.101 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 3.443 -3.132 28.723 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 4.274 -2.037 29.403 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 1.361 -4.696 26.352 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 0.678 -4.047 26.610 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 0.971 -5.162 25.585 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -8.455 11.418 22.837 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -9.364 11.699 22.626 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -8.056 12.205 23.261 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -6.938 13.433 23.981 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -6.026 13.743 23.809 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -6.824 12.730 24.663 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -0.639 21.684 -14.748 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -0.857 20.900 -15.302 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 0.337 21.619 -14.618 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -6.803 28.147 -12.658 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -6.192 28.870 -12.468 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -6.750 28.039 -13.632 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -5.853 22.661 -14.939 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -4.957 22.816 -14.568 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -6.155 21.857 -14.495 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -7.934 32.152 -17.933 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -7.517 31.596 -17.240 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -7.285 32.174 -18.641 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -6.308 27.960 -15.377 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -5.325 27.929 -15.435 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -6.588 27.060 -15.645 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -11.331 25.830 -11.822 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -11.979 25.408 -11.239 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -10.678 25.116 -12.008 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -1.125 24.370 -14.794 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -0.534 24.743 -14.098 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -0.825 23.438 -14.886 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -6.089 25.234 -15.839 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -5.249 25.201 -16.327 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -6.278 24.291 -15.625 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -2.931 25.548 -11.515 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -2.868 24.577 -11.384 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -3.573 25.649 -12.250 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 2.020 21.393 -14.322 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 2.403 20.543 -14.013 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 2.805 21.920 -14.610 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -4.565 16.979 -13.423 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.684 17.390 -13.581 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -4.920 16.837 -14.308 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -1.156 19.277 -15.953 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -0.918 18.638 -16.631 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -1.478 18.731 -15.208 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -1.463 14.304 -11.281 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -1.635 14.234 -10.317 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -0.964 13.510 -11.490 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -10.045 30.640 -12.381 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -9.547 31.136 -13.065 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -10.981 30.713 -12.668 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 1.020 21.657 -5.828 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 0.143 21.351 -6.124 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 1.246 22.380 -6.452 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 4.015 24.465 -8.722 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 4.417 25.348 -8.543 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 4.642 23.832 -8.308 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 2.403 27.666 -5.822 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 2.560 28.001 -4.923 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 2.041 26.767 -5.684 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 2.370 19.454 -6.865 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 2.058 20.243 -6.380 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 1.619 18.830 -6.814 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 1.162 19.148 -9.841 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 1.057 19.991 -9.372 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 2.067 18.858 -9.610 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -2.314 28.133 -10.578 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -3.048 28.001 -9.951 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -2.278 27.296 -11.075 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 5.456 26.710 -8.056 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 6.403 26.657 -7.915 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 5.181 27.497 -7.540 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -4.154 19.807 -6.721 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -4.729 19.089 -6.388 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -4.114 19.646 -7.691 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -1.016 30.484 -11.106 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -1.405 29.598 -10.913 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -1.084 30.564 -12.084 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 2.674 24.175 -11.116 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 2.485 23.213 -11.177 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 3.138 24.275 -10.253 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 0.426 25.022 -12.618 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.057 25.444 -11.900 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 1.249 24.706 -12.198 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 3.807 18.839 -9.090 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 3.434 18.994 -8.191 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 4.236 19.698 -9.321 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 5.084 23.109 -2.821 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 4.182 23.207 -3.212 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 5.232 23.952 -2.350 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 1.215 25.224 -5.438 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 0.279 25.452 -5.472 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 1.367 24.707 -6.265 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 1.888 21.615 -11.600 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 2.428 20.809 -11.517 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 1.742 21.701 -12.566 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 2.070 31.667 -9.685 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 1.415 31.079 -10.091 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 1.701 32.550 -9.802 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -2.904 32.976 -14.803 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -3.724 33.221 -15.250 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -3.020 33.321 -13.886 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 2.628 23.304 -3.972 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 2.221 24.111 -4.343 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 2.143 22.577 -4.398 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 1.278 15.631 -2.445 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 1.064 16.243 -1.699 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 2.125 15.245 -2.197 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 0.437 17.085 -0.333 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 0.594 17.970 0.072 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -0.119 16.618 0.320 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 4.280 22.861 -14.749 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 4.241 23.697 -14.229 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 5.145 22.883 -15.166 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -2.075 18.071 -13.645 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -2.186 19.023 -13.410 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -1.575 17.703 -12.890 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 0.353 21.964 -9.397 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -0.577 21.755 -9.646 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 0.852 21.876 -10.242 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -3.715 15.849 -11.035 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -3.948 16.287 -11.875 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -2.880 15.374 -11.234 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -9.341 16.404 -7.670 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -8.527 15.890 -7.474 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -9.237 16.663 -8.611 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -8.741 20.291 -10.017 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -8.580 21.064 -10.598 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -7.844 19.930 -9.856 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -0.016 18.030 -6.711 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -0.484 17.590 -7.450 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -0.481 18.881 -6.611 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -5.558 23.806 -11.845 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -4.773 23.307 -11.522 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -5.239 24.247 -12.656 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 3.636 33.450 0.487 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 4.552 33.115 0.534 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 3.443 33.483 -0.478 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -5.836 17.660 -6.346 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -6.659 18.201 -6.405 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -6.113 16.778 -6.681 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 2.773 19.157 -12.925 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 1.973 18.625 -12.927 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 3.427 18.599 -12.445 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -2.193 20.584 -12.661 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -2.343 21.182 -11.891 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -1.712 21.144 -13.311 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -4.439 26.734 -9.429 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -5.335 26.578 -9.779 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -3.872 26.145 -9.958 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 2.572 31.515 -4.082 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 1.620 31.592 -4.210 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 2.955 32.119 -4.763 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 5.577 22.578 -7.485 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 6.484 22.196 -7.419 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 5.231 22.511 -6.583 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -4.819 25.929 -13.514 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -4.274 26.599 -13.973 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -5.424 25.603 -14.211 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -6.947 34.049 -9.877 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -7.561 34.412 -9.216 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -7.048 34.642 -10.645 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 1.596 23.658 -7.631 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 1.154 23.130 -8.336 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 2.428 23.970 -8.051 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -1.354 28.900 -16.039 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -0.464 28.545 -16.159 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -1.539 29.376 -16.879 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 3.539 33.384 -2.254 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 3.064 34.083 -2.768 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 3.283 32.551 -2.702 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 4.172 25.093 -13.183 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 4.162 26.047 -13.066 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 3.631 24.753 -12.436 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -4.535 30.203 -17.573 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -3.595 30.378 -17.777 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -4.698 29.331 -17.946 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -3.636 27.455 -15.494 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -2.830 28.004 -15.615 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -3.413 26.602 -15.928 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 0.239 15.738 -4.985 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 0.479 16.563 -5.457 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 0.773 15.766 -4.159 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -1.092 18.400 -11.070 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -0.211 18.627 -10.683 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -1.446 19.256 -11.370 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -1.047 32.420 -16.792 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -0.271 32.923 -16.525 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -1.723 32.648 -16.119 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -1.458 20.530 -6.959 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -1.542 20.796 -7.894 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -2.360 20.247 -6.709 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -1.533 30.643 -13.807 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -1.500 29.986 -14.527 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -2.008 31.399 -14.196 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -5.617 20.474 -12.784 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -4.652 20.490 -12.855 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -5.786 19.997 -11.947 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 7.845 21.326 -6.673 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 8.695 20.954 -6.424 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 7.301 21.253 -5.855 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -7.652 22.107 -11.768 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -6.984 22.825 -11.684 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -7.185 21.415 -12.276 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 3.679 29.007 -3.751 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 3.333 29.927 -3.769 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 4.334 28.985 -4.472 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 0.889 30.494 0.908 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 0.439 31.115 0.294 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 1.233 31.067 1.615 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -3.275 24.885 -16.390 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -3.492 23.961 -16.565 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -2.428 24.839 -15.886 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -1.839 30.350 -18.302 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -1.505 31.159 -17.837 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -1.563 30.474 -19.218 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 1.099 27.980 -0.068 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 0.182 27.904 -0.359 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 1.148 28.885 0.331 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -3.433 23.188 -13.822 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -3.232 22.970 -12.886 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -2.616 23.614 -14.150 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -0.235 22.098 -0.250 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -0.811 22.056 -1.021 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 0.274 22.936 -0.375 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 2.615 26.538 1.943 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 2.381 27.107 2.713 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 2.098 26.912 1.206 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -2.089 16.313 -3.710 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -1.224 16.077 -4.103 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -2.640 16.557 -4.485 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -2.172 17.699 -1.396 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -2.181 17.275 -2.281 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -1.246 17.626 -1.108 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 0.505 19.564 0.768 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 0.272 20.401 0.317 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 1.218 19.824 1.398 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -1.257 14.681 -1.543 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -0.346 14.785 -1.866 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -1.805 15.062 -2.251 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -1.793 15.893 0.878 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -1.607 15.274 0.136 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -2.735 16.115 0.767 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 5.115 25.372 -1.151 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 4.421 26.056 -1.334 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 5.864 25.881 -0.826 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 3.327 27.328 -1.579 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 3.436 27.928 -2.350 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 2.560 27.696 -1.095 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 4.761 21.274 -9.781 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 4.992 21.747 -8.954 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 5.245 21.745 -10.464 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 4.077 17.366 -11.352 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 4.454 16.520 -11.101 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 4.016 17.864 -10.504 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 6.140 21.294 -4.539 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 5.906 22.035 -3.932 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 5.607 20.559 -4.224 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -9.073 17.499 -10.252 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -8.325 17.181 -10.805 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -9.023 18.474 -10.322 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -12.739 15.815 -3.095 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -12.568 16.630 -2.579 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -12.174 15.910 -3.887 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 6.203 32.265 0.288 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 6.362 32.958 -0.399 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 6.197 31.439 -0.211 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -1.808 17.094 -8.689 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -1.435 17.370 -9.556 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -1.980 16.133 -8.798 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -5.890 14.669 -9.954 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -5.019 15.027 -10.245 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -5.751 13.693 -9.922 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -2.228 14.365 -8.644 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -3.174 14.208 -8.497 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -1.815 14.163 -7.773 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -6.243 19.190 -10.362 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -6.395 18.304 -10.761 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -5.371 19.105 -9.917 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -3.731 19.043 -9.299 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -3.172 18.241 -9.309 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -3.133 19.757 -9.630 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -8.523 14.217 1.941 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -7.647 14.603 1.725 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -8.321 13.292 2.197 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -5.942 15.255 1.481 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -5.437 15.906 0.952 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -5.267 14.777 1.970 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -6.748 30.576 -16.007 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -5.881 30.608 -16.472 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -6.820 29.642 -15.710 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 5.047 27.751 2.493 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 4.236 27.318 2.151 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 5.477 27.068 3.013 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -2.547 27.640 8.485 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -2.606 27.381 9.426 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -2.694 28.607 8.495 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -5.207 25.401 11.117 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -5.029 24.689 10.465 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -4.445 25.995 11.035 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -8.674 20.217 8.140 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -7.747 20.555 8.150 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -9.109 20.699 8.850 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -5.231 17.330 8.161 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -4.405 17.666 7.741 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -4.915 16.775 8.907 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -6.017 20.704 8.131 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -5.229 21.088 7.690 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -5.830 20.814 9.087 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -5.971 18.520 14.386 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -6.425 19.206 13.838 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -5.671 19.003 15.161 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -2.990 27.276 11.274 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -3.721 27.871 10.967 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -2.509 27.817 11.936 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -3.572 22.924 13.491 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -4.359 23.349 13.870 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -2.949 23.668 13.347 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -5.214 24.962 14.845 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -4.410 25.432 15.095 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -5.522 24.544 15.685 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -0.849 14.798 13.880 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -0.704 14.023 14.468 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -1.076 14.404 13.027 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 0.594 28.908 6.177 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -0.184 29.470 5.968 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 1.110 29.440 6.791 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -2.157 22.668 4.284 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -2.933 22.640 3.708 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -1.397 22.510 3.670 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -0.195 22.231 2.496 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -0.357 22.101 1.540 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 0.685 22.657 2.531 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -0.588 26.391 7.041 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -0.037 27.120 6.707 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -1.256 26.835 7.604 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -2.238 24.218 6.573 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -2.027 23.765 5.728 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -1.484 24.833 6.713 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -2.149 25.268 13.058 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -2.635 25.829 12.421 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -1.238 25.558 12.980 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -5.570 21.432 10.779 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -4.763 21.074 11.213 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -5.288 22.304 10.431 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 1.189 24.380 -0.713 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 2.068 23.955 -0.621 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 1.393 25.292 -0.949 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -1.945 29.021 13.102 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -1.616 28.975 14.005 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -2.777 29.555 13.177 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -8.535 23.748 15.333 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -8.775 23.139 14.602 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -8.369 24.593 14.891 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -11.740 27.378 14.120 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -12.526 26.796 14.033 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -11.489 27.572 13.198 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -2.536 30.438 8.441 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -1.943 30.697 7.715 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -1.939 30.348 9.221 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 4.343 33.704 3.854 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 3.636 33.118 3.527 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 5.164 33.191 3.707 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -1.815 35.046 10.527 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -0.935 34.727 10.313 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -1.769 36.011 10.353 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -6.360 23.821 17.025 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -7.208 23.765 16.538 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -6.529 23.348 17.859 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -4.908 14.492 13.585 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -5.569 14.310 12.882 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -4.565 15.379 13.366 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 3.654 23.254 -0.181 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 4.240 24.011 -0.400 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 4.012 22.522 -0.704 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 2.234 20.439 2.695 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 2.380 21.397 2.776 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 1.626 20.225 3.428 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -7.056 20.655 13.025 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -7.806 21.277 13.067 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -6.568 20.924 12.219 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -3.570 21.881 7.293 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -3.175 22.727 6.994 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -2.939 21.203 6.978 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -1.610 20.482 5.886 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -0.817 20.056 5.495 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -1.793 21.238 5.288 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -4.328 17.109 0.174 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -3.628 17.399 -0.457 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -4.476 17.896 0.746 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -4.609 15.748 10.298 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -4.471 16.284 11.111 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -3.958 15.017 10.377 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -3.601 18.045 3.865 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -2.695 18.042 3.495 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -4.144 18.433 3.154 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -4.088 21.872 1.659 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -4.795 22.007 0.996 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -3.525 22.670 1.570 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -7.495 22.484 19.287 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -8.050 21.868 19.829 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -8.086 23.237 19.109 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 0.254 16.237 15.907 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -0.193 15.871 15.109 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 1.133 16.467 15.599 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 2.325 23.371 2.283 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 2.805 23.237 1.438 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 2.407 24.325 2.451 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -4.679 23.581 9.165 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -4.234 22.899 8.622 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -4.720 24.367 8.573 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -3.226 14.906 21.269 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -2.847 15.752 20.967 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -2.484 14.265 21.167 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -4.892 28.966 10.519 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -5.115 29.797 10.061 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -5.645 28.817 11.130 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -4.307 25.702 7.469 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -3.814 26.486 7.774 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -3.623 25.141 7.046 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 4.267 30.297 3.233 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 4.568 29.416 2.909 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 5.089 30.826 3.281 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 2.265 28.365 3.940 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 1.700 28.531 4.717 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 2.853 29.139 3.900 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -11.442 31.021 16.468 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -11.736 31.548 17.214 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -11.084 30.210 16.877 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -3.292 18.403 6.554 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -2.675 19.158 6.474 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -3.466 18.141 5.623 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -4.887 19.274 1.728 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -5.815 19.516 1.636 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -4.415 20.141 1.759 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -10.701 13.669 7.440 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -11.544 13.817 6.964 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -10.757 12.752 7.740 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 2.387 32.164 2.564 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 2.996 31.408 2.736 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 2.741 32.576 1.739 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -9.351 24.465 18.287 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -9.713 24.772 19.141 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -9.455 25.235 17.693 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -4.334 17.149 12.655 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -5.000 17.540 13.265 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -3.718 17.876 12.484 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -0.957 16.213 20.228 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -0.163 16.685 20.497 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -0.793 15.283 20.510 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -1.388 15.060 17.711 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -0.806 15.542 17.078 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -1.378 15.616 18.514 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -3.290 20.625 12.060 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -2.457 20.848 11.638 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -3.425 21.342 12.723 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -8.626 17.953 17.264 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -7.902 17.495 16.802 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -9.170 17.230 17.620 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -1.111 12.429 18.337 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -0.968 13.376 18.107 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -1.988 12.230 17.962 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -8.211 13.063 20.035 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -7.927 12.419 19.358 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -7.383 13.509 20.300 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -5.561 13.890 20.256 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -5.535 14.025 19.283 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -4.747 14.337 20.581 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -10.782 28.635 18.074 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -10.589 27.937 17.416 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -10.320 28.329 18.886 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -10.446 26.415 16.424 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -11.212 25.814 16.504 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -10.582 26.854 15.560 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -7.105 25.743 12.972 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -6.537 25.573 12.176 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -6.530 25.486 13.727 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -6.807 28.533 12.413 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -7.708 28.848 12.536 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -6.839 27.597 12.695 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -2.927 13.574 10.385 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -2.340 13.642 9.624 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -2.347 13.234 11.106 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 0.352 19.127 4.433 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -0.261 18.777 3.748 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 0.905 18.374 4.661 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -7.017 15.843 16.226 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -6.345 15.288 16.677 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -6.529 16.265 15.501 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -5.654 13.781 17.512 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -4.765 13.581 17.128 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -6.085 12.908 17.577 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 -7.481 18.472 21.477 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -7.952 17.892 20.852 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 -6.848 18.968 20.918 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -6.000 20.327 19.963 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -5.066 20.535 19.897 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -6.450 21.179 19.772 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -9.273 16.724 20.250 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -9.029 16.016 20.874 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -9.493 16.250 19.422 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -11.027 18.806 20.499 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -10.324 18.118 20.467 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -11.659 18.470 21.164 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -9.018 20.735 20.711 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -9.847 20.239 20.556 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -8.460 20.112 21.218 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -8.572 15.331 22.669 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -8.028 14.650 23.120 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -8.113 16.165 22.856 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -7.169 11.468 17.999 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -6.360 11.082 18.418 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -7.785 10.697 17.935 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 -2.914 43.872 -7.840 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 -2.796 44.054 -6.901 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 -3.646 44.469 -8.109 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -2.295 43.051 -4.559 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -2.511 42.428 -3.818 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -3.141 43.523 -4.726 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -0.932 39.137 -9.311 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -1.390 40.001 -9.313 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -1.577 38.526 -8.885 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 3.470 33.104 -6.074 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 3.702 32.352 -6.656 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 3.893 33.879 -6.509 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -9.581 45.806 -12.878 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -9.413 46.314 -12.053 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -9.438 46.447 -13.580 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 6.184 33.948 -1.806 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 5.231 33.829 -2.018 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 6.509 34.530 -2.499 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -1.876 40.052 -0.353 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -1.369 40.668 0.205 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -2.071 40.566 -1.169 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -4.699 44.094 -5.213 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -5.179 43.712 -5.958 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -5.300 43.943 -4.436 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -4.796 45.025 -0.437 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -5.134 44.134 -0.191 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -4.351 45.343 0.377 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -4.161 47.483 3.953 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -4.402 48.157 4.590 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -5.007 47.244 3.520 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -4.545 39.378 -6.474 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -4.736 40.142 -7.059 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -5.248 39.411 -5.801 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -3.843 45.419 2.165 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -3.390 46.060 2.747 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -4.791 45.659 2.248 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -9.851 48.562 -8.287 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -10.705 48.577 -7.804 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -9.311 49.232 -7.823 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 4.022 43.750 3.299 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 4.366 43.517 2.403 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 4.176 44.695 3.371 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 1.325 37.681 -4.386 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 0.403 37.984 -4.340 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 1.835 38.420 -4.002 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 -0.742 40.000 -4.041 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 -0.979 40.371 -4.912 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 -1.421 40.362 -3.434 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -1.211 41.465 -6.470 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -1.832 41.482 -7.216 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -1.552 42.156 -5.857 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 -4.217 40.018 1.103 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 -3.386 39.971 0.578 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 -4.502 40.951 1.013 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 1.624 38.843 -8.236 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 1.625 39.615 -7.638 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 0.756 38.889 -8.687 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 -9.388 37.831 -13.101 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 -9.555 38.608 -13.667 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -8.778 38.172 -12.410 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -3.008 37.822 -8.100 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -3.457 38.360 -7.407 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -2.962 36.920 -7.709 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -3.578 40.102 -11.844 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -2.793 39.585 -12.139 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -3.213 40.742 -11.210 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 4.189 31.213 -7.970 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 3.396 31.257 -8.554 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 4.865 31.700 -8.454 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 -5.972 40.174 -13.298 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 -6.230 41.105 -13.137 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 -5.060 40.114 -12.941 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -5.073 41.321 -8.254 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -5.647 42.117 -8.335 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -5.450 40.686 -8.903 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 1.924 40.382 -3.876 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 2.036 40.537 -4.837 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 0.953 40.262 -3.768 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -6.375 43.557 -3.221 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -7.310 43.455 -2.952 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -5.934 42.735 -2.884 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 2.261 42.846 -2.681 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 1.326 43.132 -2.546 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 2.180 41.985 -3.144 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -0.384 43.468 -2.521 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 -1.021 43.510 -1.781 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 -0.943 43.488 -3.319 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -4.382 49.083 -10.489 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -4.360 49.948 -10.068 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -3.547 49.027 -10.965 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 -8.984 40.442 -14.201 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 -9.251 41.323 -13.868 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 -8.025 40.404 -14.035 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 -5.033 46.704 -4.431 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 -5.731 46.895 -5.083 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 -4.725 45.811 -4.670 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 3.922 44.981 -3.288 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 3.457 45.679 -2.832 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 3.393 44.180 -3.106 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -6.772 46.964 -6.586 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -6.877 47.917 -6.701 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -7.692 46.631 -6.491 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 -2.590 43.312 -0.774 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -2.824 42.593 -1.409 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 -3.288 43.982 -0.905 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -7.610 45.601 -1.246 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -7.982 44.715 -1.450 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -6.644 45.461 -1.257 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 -7.319 41.198 -10.088 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 -7.338 41.970 -9.493 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 -7.299 41.589 -10.985 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 2.247 35.013 -3.982 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 2.444 34.726 -4.887 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 1.878 35.912 -4.090 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 -1.133 38.936 -12.064 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 -0.940 38.883 -11.104 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 -0.268 38.940 -12.479 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -2.355 34.619 -10.018 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -2.335 35.181 -9.229 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -2.301 33.710 -9.665 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -4.940 38.940 -9.745 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -4.543 39.182 -10.605 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -4.235 38.432 -9.291 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -0.226 38.475 1.329 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -0.457 39.319 1.775 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -0.649 38.550 0.460 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 1.492 41.057 -6.542 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 0.516 41.202 -6.547 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 1.854 41.877 -6.899 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -5.113 45.454 -8.224 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -5.708 44.668 -8.279 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -5.536 46.027 -7.547 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -10.902 39.991 -16.099 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -10.162 40.161 -15.475 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 -10.632 40.428 -16.909 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 -8.864 47.353 -10.636 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 -9.170 47.871 -9.866 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 -7.893 47.299 -10.518 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 -16.981 48.873 5.448 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 -17.050 48.612 6.372 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 -16.702 49.794 5.478 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 -5.567 42.438 0.025 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 -6.552 42.476 0.029 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 -5.346 42.030 -0.849 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 4.153 41.576 -1.119 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 3.548 42.166 -1.617 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 4.019 40.712 -1.519 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 -2.570 41.443 -9.279 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 -3.461 41.247 -8.913 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 -2.447 42.396 -9.096 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 -2.922 42.881 1.995 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 -2.752 42.904 1.031 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 -3.211 43.798 2.204 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 -0.979 40.935 2.267 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -0.526 40.899 3.133 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -1.644 41.648 2.372 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 5.065 43.231 0.847 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 4.673 42.564 0.239 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 5.725 43.675 0.310 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 -0.885 35.728 5.436 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 -0.428 35.000 4.968 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 -0.154 36.275 5.792 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -7.268 44.510 -10.729 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -7.158 44.188 -9.806 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -6.902 45.420 -10.711 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 -9.374 50.134 -6.024 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 -9.290 50.357 -5.080 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 -10.237 49.683 -6.084 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 4.599 35.197 -7.411 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 5.298 35.813 -7.646 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 3.815 35.774 -7.240 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 2.530 36.799 -6.704 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 2.257 37.442 -7.399 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 2.083 37.122 -5.896 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -10.881 48.513 1.539 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -10.340 47.763 1.205 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -10.369 48.863 2.273 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 -6.302 46.565 2.469 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -6.631 47.274 1.869 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 -6.911 45.810 2.304 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 6.390 32.076 3.011 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 6.369 32.147 2.027 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 7.320 32.192 3.237 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 -9.105 47.625 -2.507 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 -8.481 46.963 -2.144 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 -9.778 47.090 -2.964 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 -9.405 46.197 -6.815 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 -9.255 45.315 -7.245 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 -9.480 46.821 -7.561 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 -4.153 47.301 -1.944 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 -4.485 47.181 -2.862 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 -4.399 46.475 -1.491 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 -3.127 35.270 -7.077 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 -3.393 35.182 -6.145 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 -3.692 34.612 -7.547 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 4.693 28.887 -6.532 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 3.805 28.471 -6.448 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 4.525 29.712 -7.036 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -6.624 33.647 -13.216 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -5.697 33.632 -12.930 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -6.992 34.447 -12.787 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 -4.715 33.475 -8.309 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 -5.489 33.645 -8.889 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 -4.197 32.813 -8.792 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 -2.542 31.918 -9.371 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 -2.572 31.266 -8.661 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 -1.943 31.512 -10.042 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -6.126 46.983 -10.253 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -5.583 47.772 -10.471 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -5.587 46.502 -9.589 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 -7.500 35.926 -11.909 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 -8.258 36.214 -12.449 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 -7.068 36.761 -11.646 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 -3.656 33.622 -12.238 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 -3.661 32.775 -11.776 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 -3.198 34.230 -11.614 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 0.868 34.059 3.981 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 1.308 34.703 3.389 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 1.082 33.191 3.584 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 -1.160 40.086 11.169 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 -1.792 40.781 10.963 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 -0.285 40.498 10.992 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 -7.858 39.651 8.128 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 -7.765 39.498 9.095 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 -7.722 40.616 8.026 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 -7.533 32.888 9.337 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 -6.969 33.662 9.120 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 -6.908 32.137 9.354 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 0.489 38.677 8.163 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 0.811 38.086 7.443 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 1.267 39.228 8.383 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -7.527 39.135 10.823 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 -8.041 39.407 11.620 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -7.486 38.153 10.888 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 -4.925 41.863 9.197 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 -4.237 41.951 8.494 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 -4.727 41.005 9.619 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 -7.181 36.433 10.922 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 -6.619 36.080 10.204 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 -7.894 35.771 11.014 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -10.493 42.863 1.394 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -10.124 42.568 2.248 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -9.745 42.773 0.770 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -4.204 30.465 13.394 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -5.085 30.133 13.168 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -4.314 31.441 13.428 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -3.175 41.980 7.121 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -3.480 42.094 6.201 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -2.375 41.418 7.036 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 2.682 40.452 8.438 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 3.436 40.755 9.003 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 2.984 40.615 7.534 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -4.851 39.509 10.648 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -4.599 39.592 11.575 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -5.835 39.456 10.670 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 1.088 41.500 10.461 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 1.574 41.037 9.747 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 1.222 42.434 10.269 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 2.733 35.459 2.395 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 3.433 35.067 2.955 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 2.884 35.062 1.517 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 -9.286 38.008 6.504 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 -9.393 38.601 5.725 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 -8.802 38.562 7.159 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 -4.529 33.227 13.475 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 -4.061 33.693 14.176 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 -5.382 33.720 13.386 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 4.587 41.533 10.054 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 4.353 41.411 11.003 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 5.457 41.938 10.076 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 -8.357 34.942 6.440 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 -7.833 34.109 6.393 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 -7.691 35.636 6.499 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 -1.519 37.724 9.812 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 -1.524 38.464 10.460 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 -0.798 37.963 9.189 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -5.670 34.947 9.094 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -5.157 35.762 8.874 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -5.057 34.428 9.662 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 -10.334 33.273 8.594 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 -9.398 32.999 8.636 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 -10.706 32.983 9.452 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -4.207 37.262 9.060 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -3.242 37.301 9.199 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -4.540 38.072 9.495 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 -6.610 42.003 5.324 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 -6.322 41.067 5.436 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 -6.856 42.284 6.230 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 -1.210 40.186 6.620 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 -0.639 40.244 5.822 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 -0.654 39.715 7.275 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 -3.979 41.811 4.382 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 -3.722 42.221 3.530 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 -4.919 42.062 4.497 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 -7.261 42.392 8.004 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 -6.392 42.216 8.444 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 -7.592 43.181 8.444 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 -2.210 49.235 -2.224 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 -1.575 48.646 -2.625 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 -2.975 48.659 -2.016 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 -9.234 39.737 4.359 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 -9.297 40.664 4.057 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 -8.429 39.401 3.926 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 -1.628 30.513 5.784 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 -2.548 30.245 5.896 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 -1.630 31.029 4.945 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 -8.666 42.401 3.521 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 -7.949 42.261 4.179 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 -8.366 43.178 3.006 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 -11.474 32.374 13.997 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 -11.348 31.745 14.740 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 -11.909 33.129 14.401 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 -6.414 38.359 0.756 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 -6.819 38.391 -0.126 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 -5.695 39.025 0.719 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 -5.990 39.404 5.722 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 -6.326 38.870 4.974 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 -6.527 39.122 6.479 1.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1511 -7.073 38.199 3.386 1.00 0.00 WAT1 ATOM 6039 H1 TIP3 1511 -7.643 37.423 3.345 1.00 0.00 WAT1 ATOM 6040 H2 TIP3 1511 -6.762 38.317 2.456 1.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1512 2.968 41.435 4.283 1.00 0.00 WAT1 ATOM 6042 H1 TIP3 1512 3.208 42.362 4.052 1.00 0.00 WAT1 ATOM 6043 H2 TIP3 1512 3.594 40.902 3.786 1.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1513 3.858 41.167 12.655 1.00 0.00 WAT1 ATOM 6045 H1 TIP3 1513 4.118 40.829 13.518 1.00 0.00 WAT1 ATOM 6046 H2 TIP3 1513 2.897 41.072 12.640 1.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1514 1.408 37.715 3.355 1.00 0.00 WAT1 ATOM 6048 H1 TIP3 1514 1.978 37.002 2.992 1.00 0.00 WAT1 ATOM 6049 H2 TIP3 1514 0.809 37.943 2.604 1.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1515 0.559 40.148 4.472 1.00 0.00 WAT1 ATOM 6051 H1 TIP3 1515 0.851 39.291 4.098 1.00 0.00 WAT1 ATOM 6052 H2 TIP3 1515 1.377 40.698 4.475 1.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1516 1.370 37.184 6.070 1.00 0.00 WAT1 ATOM 6054 H1 TIP3 1516 1.462 37.498 5.144 1.00 0.00 WAT1 ATOM 6055 H2 TIP3 1516 2.056 36.481 6.154 1.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1517 -6.783 34.676 13.085 1.00 0.00 WAT1 ATOM 6057 H1 TIP3 1517 -6.644 35.519 12.621 1.00 0.00 WAT1 ATOM 6058 H2 TIP3 1517 -7.642 34.365 12.753 1.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1518 -9.044 39.552 13.024 1.00 0.00 WAT1 ATOM 6060 H1 TIP3 1518 -9.368 40.032 13.791 1.00 0.00 WAT1 ATOM 6061 H2 TIP3 1518 -9.772 38.934 12.801 1.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1519 -4.022 33.474 10.731 1.00 0.00 WAT1 ATOM 6063 H1 TIP3 1519 -4.138 33.359 11.697 1.00 0.00 WAT1 ATOM 6064 H2 TIP3 1519 -3.195 34.010 10.650 1.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1520 -5.027 31.442 9.207 1.00 0.00 WAT1 ATOM 6066 H1 TIP3 1520 -4.216 31.030 8.837 1.00 0.00 WAT1 ATOM 6067 H2 TIP3 1520 -4.684 32.163 9.782 1.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1521 -0.925 29.749 10.588 1.00 0.00 WAT1 ATOM 6069 H1 TIP3 1521 -0.116 29.235 10.666 1.00 0.00 WAT1 ATOM 6070 H2 TIP3 1521 -1.361 29.641 11.458 1.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1522 2.840 34.929 5.804 1.00 0.00 WAT1 ATOM 6072 H1 TIP3 1522 3.615 34.565 5.333 1.00 0.00 WAT1 ATOM 6073 H2 TIP3 1522 2.080 34.494 5.379 1.00 0.00 WAT1 END