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: -1692.71, 79.9152, 96.3629, 40.9709, 426.635, -270.818, -2066.26, 0.451483, 3.32525E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.246151E-03,0.479303,1.17169,42.6383,2.100278E-03,8.365126E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 1 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:58 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 16.881 -7.974 13.419 1.00 41.45 ATOM 2 CB MET 1 18.561 -8.956 14.328 1.00 22.52 ATOM 3 HB1 MET 1 18.962 -9.081 15.325 1.00 37.78 ATOM 4 HB2 MET 1 19.273 -8.401 13.734 1.00 41.33 ATOM 5 CG MET 1 18.392 -10.339 13.705 1.00 32.21 ATOM 6 HG1 MET 1 18.003 -10.225 12.704 1.00 37.78 ATOM 7 HG2 MET 1 17.689 -10.905 14.298 1.00 52.41 ATOM 8 SD MET 1 19.938 -11.265 13.618 1.00 71.33 ATOM 9 CE MET 1 20.905 -10.230 12.518 1.00 63.31 ATOM 10 HE1 MET 1 21.036 -9.253 12.963 1.00 70.30 ATOM 11 HE2 MET 1 20.391 -10.128 11.573 1.00 65.13 ATOM 12 HE3 MET 1 21.872 -10.683 12.353 1.00 24.41 ATOM 13 C MET 1 16.201 -8.952 15.200 1.00 71.21 ATOM 14 O MET 1 16.220 -8.984 16.431 1.00 62.52 ATOM 15 N MET 1 17.504 -6.824 15.049 1.00 10.33 ATOM 16 HT1 MET 1 16.648 -6.231 14.995 1.00 37.78 ATOM 17 HT2 MET 1 18.277 -6.333 14.561 1.00 37.78 ATOM 18 HT3 MET 1 17.766 -6.944 16.051 1.00 37.78 ATOM 19 CA MET 1 17.254 -8.149 14.418 1.00 42.45 ATOM 20 N GLY 2 15.280 -9.592 14.477 1.00 0.31 ATOM 21 HN GLY 2 15.263 -9.468 13.502 1.00 37.78 ATOM 22 CA GLY 2 14.299 -10.470 15.109 1.00 73.51 ATOM 23 HA1 GLY 2 14.674 -10.778 16.077 1.00 37.78 ATOM 24 HA2 GLY 2 14.182 -11.349 14.494 1.00 11.45 ATOM 25 C GLY 2 12.924 -9.833 15.296 1.00 64.15 ATOM 26 O GLY 2 12.358 -9.259 14.362 1.00 4.55 ATOM 27 N HIS 3 12.390 -9.926 16.511 1.00 14.21 ATOM 28 HN HIS 3 12.935 -10.302 17.236 1.00 37.78 ATOM 29 CA HIS 3 11.022 -9.475 16.804 1.00 62.45 ATOM 30 HA HIS 3 10.507 -9.360 15.861 1.00 33.54 ATOM 31 CB HIS 3 10.284 -10.538 17.634 1.00 25.42 ATOM 32 HB1 HIS 3 10.177 -11.436 17.041 1.00 37.78 ATOM 33 HB2 HIS 3 9.304 -10.167 17.893 1.00 1.41 ATOM 34 CG HIS 3 10.987 -10.909 18.907 1.00 52.13 ATOM 35 ND1 HIS 3 11.932 -11.907 18.974 1.00 45.21 ATOM 36 HD1 HIS 3 12.226 -12.468 18.226 1.00 21.02 ATOM 37 CD2 HIS 3 10.888 -10.406 20.162 1.00 20.20 ATOM 38 HD2 HIS 3 10.239 -9.602 20.484 1.00 74.14 ATOM 39 CE1 HIS 3 12.386 -12.003 20.207 1.00 33.02 ATOM 40 HE1 HIS 3 13.142 -12.696 20.551 1.00 5.22 ATOM 41 NE2 HIS 3 11.771 -11.106 20.946 1.00 41.53 ATOM 42 HE2 HIS 3 11.830 -11.053 21.924 1.00 37.78 ATOM 43 C HIS 3 10.999 -8.125 17.539 1.00 71.43 ATOM 44 O HIS 3 11.716 -7.925 18.523 1.00 54.33 ATOM 45 N HIS 4 10.165 -7.208 17.059 1.00 75.42 ATOM 46 HN HIS 4 9.653 -7.415 16.250 1.00 37.78 ATOM 47 CA HIS 4 9.979 -5.906 17.707 1.00 35.11 ATOM 48 HA HIS 4 10.769 -5.783 18.437 1.00 53.45 ATOM 49 CB HIS 4 10.080 -4.775 16.673 1.00 21.52 ATOM 50 HB1 HIS 4 11.052 -4.818 16.199 1.00 37.78 ATOM 51 HB2 HIS 4 9.977 -3.826 17.177 1.00 51.12 ATOM 52 CG HIS 4 9.037 -4.842 15.592 1.00 73.23 ATOM 53 ND1 HIS 4 9.209 -5.554 14.427 1.00 20.13 ATOM 54 HD1 HIS 4 10.003 -6.077 14.186 1.00 32.12 ATOM 55 CD2 HIS 4 7.807 -4.279 15.505 1.00 33.44 ATOM 56 HD2 HIS 4 7.339 -3.646 16.245 1.00 61.20 ATOM 57 CE1 HIS 4 8.136 -5.431 13.673 1.00 74.33 ATOM 58 HE1 HIS 4 7.992 -5.880 12.699 1.00 11.12 ATOM 59 NE2 HIS 4 7.268 -4.664 14.302 1.00 15.21 ATOM 60 HE2 HIS 4 6.312 -4.618 14.081 1.00 37.78 ATOM 61 C HIS 4 8.628 -5.845 18.439 1.00 42.33 ATOM 62 O HIS 4 7.808 -6.756 18.323 1.00 23.32 ATOM 63 N HIS 5 8.400 -4.777 19.201 1.00 11.03 ATOM 64 HN HIS 5 9.109 -4.103 19.304 1.00 37.78 ATOM 65 CA HIS 5 7.118 -4.587 19.898 1.00 4.23 ATOM 66 HA HIS 5 6.505 -5.456 19.688 1.00 25.42 ATOM 67 CB HIS 5 7.336 -4.512 21.421 1.00 3.51 ATOM 68 HB1 HIS 5 7.600 -5.495 21.783 1.00 37.78 ATOM 69 HB2 HIS 5 6.414 -4.204 21.893 1.00 20.22 ATOM 70 CG HIS 5 8.412 -3.558 21.862 1.00 32.22 ATOM 71 ND1 HIS 5 9.698 -3.960 22.158 1.00 11.00 ATOM 72 HD1 HIS 5 10.043 -4.876 22.089 1.00 51.14 ATOM 73 CD2 HIS 5 8.381 -2.223 22.092 1.00 41.12 ATOM 74 HD2 HIS 5 7.528 -1.571 21.966 1.00 12.04 ATOM 75 CE1 HIS 5 10.406 -2.918 22.547 1.00 34.34 ATOM 76 HE1 HIS 5 11.446 -2.934 22.842 1.00 62.52 ATOM 77 NE2 HIS 5 9.633 -1.855 22.516 1.00 14.50 ATOM 78 HE2 HIS 5 9.862 -0.987 22.911 1.00 37.78 ATOM 79 C HIS 5 6.369 -3.345 19.381 1.00 62.23 ATOM 80 O HIS 5 6.798 -2.211 19.593 1.00 31.33 ATOM 81 N HIS 6 5.249 -3.565 18.686 1.00 30.12 ATOM 82 HN HIS 6 4.950 -4.489 18.546 1.00 37.78 ATOM 83 CA HIS 6 4.460 -2.455 18.130 1.00 32.14 ATOM 84 HA HIS 6 5.165 -1.744 17.719 1.00 21.10 ATOM 85 CB HIS 6 3.549 -2.940 16.986 1.00 61.41 ATOM 86 HB1 HIS 6 4.171 -3.305 16.179 1.00 37.78 ATOM 87 HB2 HIS 6 2.965 -2.106 16.624 1.00 3.21 ATOM 88 CG HIS 6 2.596 -4.034 17.362 1.00 44.14 ATOM 89 ND1 HIS 6 1.350 -3.798 17.895 1.00 41.10 ATOM 90 HD1 HIS 6 0.964 -2.916 18.085 1.00 55.42 ATOM 91 CD2 HIS 6 2.703 -5.379 17.256 1.00 64.20 ATOM 92 HD2 HIS 6 3.553 -5.925 16.871 1.00 14.04 ATOM 93 CE1 HIS 6 0.738 -4.944 18.105 1.00 70.51 ATOM 94 HE1 HIS 6 -0.254 -5.062 18.517 1.00 33.41 ATOM 95 NE2 HIS 6 1.535 -5.920 17.727 1.00 22.15 ATOM 96 HE2 HIS 6 1.423 -6.855 17.997 1.00 37.78 ATOM 97 C HIS 6 3.643 -1.730 19.217 1.00 53.35 ATOM 98 O HIS 6 3.398 -2.272 20.300 1.00 25.21 ATOM 99 N HIS 7 3.204 -0.509 18.908 1.00 22.02 ATOM 100 HN HIS 7 3.299 -0.195 17.980 1.00 37.78 ATOM 101 CA HIS 7 2.567 0.379 19.895 1.00 74.23 ATOM 102 HA HIS 7 2.408 -0.191 20.801 1.00 73.02 ATOM 103 CB HIS 7 3.518 1.545 20.209 1.00 2.21 ATOM 104 HB1 HIS 7 4.334 1.182 20.818 1.00 37.78 ATOM 105 HB2 HIS 7 2.980 2.307 20.757 1.00 44.41 ATOM 106 CG HIS 7 4.104 2.182 18.979 1.00 32.32 ATOM 107 ND1 HIS 7 5.312 1.794 18.434 1.00 73.31 ATOM 108 HD1 HIS 7 5.914 1.109 18.798 1.00 33.32 ATOM 109 CD2 HIS 7 3.632 3.162 18.168 1.00 4.43 ATOM 110 HD2 HIS 7 2.706 3.707 18.290 1.00 42.01 ATOM 111 CE1 HIS 7 5.554 2.502 17.350 1.00 64.34 ATOM 112 HE1 HIS 7 6.424 2.410 16.717 1.00 55.51 ATOM 113 NE2 HIS 7 4.553 3.337 17.164 1.00 55.13 ATOM 114 HE2 HIS 7 4.407 3.860 16.348 1.00 37.78 ATOM 115 C HIS 7 1.208 0.912 19.401 1.00 52.01 ATOM 116 O HIS 7 1.100 1.434 18.294 1.00 14.11 ATOM 117 N HIS 8 0.178 0.793 20.240 1.00 44.13 ATOM 118 HN HIS 8 0.331 0.390 21.120 1.00 37.78 ATOM 119 CA HIS 8 -1.176 1.247 19.889 1.00 25.02 ATOM 120 HA HIS 8 -1.191 1.460 18.829 1.00 42.15 ATOM 121 CB HIS 8 -2.196 0.138 20.179 1.00 72.32 ATOM 122 HB1 HIS 8 -1.956 -0.724 19.573 1.00 37.78 ATOM 123 HB2 HIS 8 -3.182 0.489 19.916 1.00 15.22 ATOM 124 CG HIS 8 -2.235 -0.303 21.613 1.00 1.00 ATOM 125 ND1 HIS 8 -2.724 0.484 22.639 1.00 62.11 ATOM 126 HD1 HIS 8 -3.086 1.394 22.547 1.00 20.24 ATOM 127 CD2 HIS 8 -1.838 -1.461 22.194 1.00 45.05 ATOM 128 HD2 HIS 8 -1.402 -2.313 21.692 1.00 34.41 ATOM 129 CE1 HIS 8 -2.623 -0.168 23.778 1.00 2.11 ATOM 130 HE1 HIS 8 -2.925 0.201 24.747 1.00 23.41 ATOM 131 NE2 HIS 8 -2.091 -1.347 23.536 1.00 23.54 ATOM 132 HE2 HIS 8 -1.837 -2.003 24.221 1.00 37.78 ATOM 133 C HIS 8 -1.573 2.523 20.649 1.00 45.52 ATOM 134 O HIS 8 -1.163 2.731 21.792 1.00 75.43 ATOM 135 N SER 9 -2.390 3.364 20.015 1.00 13.40 ATOM 136 HN SER 9 -2.657 3.161 19.093 1.00 37.78 ATOM 137 CA SER 9 -2.899 4.586 20.659 1.00 3.41 ATOM 138 HA SER 9 -3.305 4.302 21.621 1.00 3.43 ATOM 139 CB SER 9 -1.769 5.609 20.885 1.00 42.11 ATOM 140 HB1 SER 9 -1.333 5.879 19.934 1.00 37.78 ATOM 141 HB2 SER 9 -1.009 5.169 21.514 1.00 13.21 ATOM 142 OG SER 9 -2.252 6.792 21.518 1.00 73.00 ATOM 143 HG SER 9 -2.765 6.552 22.302 1.00 73.23 ATOM 144 C SER 9 -4.019 5.237 19.834 1.00 72.51 ATOM 145 O SER 9 -3.769 5.832 18.785 1.00 74.51 ATOM 146 N HIS 10 -5.258 5.104 20.303 1.00 11.41 ATOM 147 HN HIS 10 -5.409 4.533 21.087 1.00 37.78 ATOM 148 CA HIS 10 -6.403 5.779 19.681 1.00 61.44 ATOM 149 HA HIS 10 -6.142 6.012 18.657 1.00 64.55 ATOM 150 CB HIS 10 -7.635 4.865 19.683 1.00 54.43 ATOM 151 HB1 HIS 10 -8.484 5.416 19.301 1.00 37.78 ATOM 152 HB2 HIS 10 -7.842 4.559 20.697 1.00 41.11 ATOM 153 CG HIS 10 -7.482 3.626 18.856 1.00 31.34 ATOM 154 ND1 HIS 10 -7.965 2.398 19.249 1.00 73.55 ATOM 155 HD1 HIS 10 -8.448 2.213 20.083 1.00 12.10 ATOM 156 CD2 HIS 10 -6.921 3.431 17.638 1.00 44.23 ATOM 157 HD2 HIS 10 -6.441 4.181 17.025 1.00 2.13 ATOM 158 CE1 HIS 10 -7.708 1.506 18.318 1.00 54.14 ATOM 159 HE1 HIS 10 -7.969 0.459 18.358 1.00 2.41 ATOM 160 NE2 HIS 10 -7.077 2.103 17.328 1.00 2.41 ATOM 161 HE2 HIS 10 -6.949 1.716 16.436 1.00 37.78 ATOM 162 C HIS 10 -6.740 7.086 20.414 1.00 2.43 ATOM 163 O HIS 10 -6.460 7.234 21.606 1.00 30.21 ATOM 164 N MET 11 -7.347 8.030 19.698 1.00 64.51 ATOM 165 HN MET 11 -7.513 7.873 18.746 1.00 37.78 ATOM 166 CA MET 11 -7.776 9.296 20.301 1.00 61.44 ATOM 167 HA MET 11 -6.966 9.652 20.923 1.00 31.45 ATOM 168 CB MET 11 -8.060 10.346 19.218 1.00 50.22 ATOM 169 HB1 MET 11 -8.505 11.216 19.681 1.00 37.78 ATOM 170 HB2 MET 11 -8.759 9.933 18.505 1.00 15.55 ATOM 171 CG MET 11 -6.815 10.794 18.465 1.00 44.51 ATOM 172 HG1 MET 11 -7.100 11.533 17.729 1.00 37.78 ATOM 173 HG2 MET 11 -6.382 9.940 17.966 1.00 52.35 ATOM 174 SD MET 11 -5.574 11.515 19.559 1.00 31.02 ATOM 175 CE MET 11 -4.267 11.906 18.398 1.00 35.52 ATOM 176 HE1 MET 11 -4.636 12.602 17.659 1.00 34.43 ATOM 177 HE2 MET 11 -3.938 11.002 17.908 1.00 71.43 ATOM 178 HE3 MET 11 -3.437 12.350 18.928 1.00 33.34 ATOM 179 C MET 11 -9.015 9.094 21.188 1.00 2.24 ATOM 180 O MET 11 -10.145 9.022 20.696 1.00 44.23 ATOM 181 N ALA 12 -8.784 8.980 22.494 1.00 52.31 ATOM 182 HN ALA 12 -7.861 9.036 22.815 1.00 37.78 ATOM 183 CA ALA 12 -9.859 8.766 23.467 1.00 70.52 ATOM 184 HA ALA 12 -10.493 7.973 23.089 1.00 73.24 ATOM 185 CB ALA 12 -9.270 8.303 24.797 1.00 73.15 ATOM 186 HB1 ALA 12 -8.687 7.407 24.641 1.00 4.23 ATOM 187 HB2 ALA 12 -10.069 8.093 25.493 1.00 24.32 ATOM 188 HB3 ALA 12 -8.634 9.078 25.202 1.00 44.21 ATOM 189 C ALA 12 -10.711 10.032 23.661 1.00 44.04 ATOM 190 O ALA 12 -10.245 11.027 24.219 1.00 51.34 ATOM 191 N LYS 13 -11.964 9.966 23.207 1.00 72.14 ATOM 192 HN LYS 13 -12.282 9.115 22.839 1.00 37.78 ATOM 193 CA LYS 13 -12.889 11.111 23.231 1.00 21.01 ATOM 194 HA LYS 13 -13.819 10.770 22.801 1.00 21.53 ATOM 195 CB LYS 13 -13.169 11.583 24.670 1.00 32.34 ATOM 196 HB1 LYS 13 -13.781 12.475 24.628 1.00 37.78 ATOM 197 HB2 LYS 13 -12.227 11.835 25.138 1.00 44.32 ATOM 198 CG LYS 13 -13.882 10.557 25.561 1.00 71.45 ATOM 199 HG1 LYS 13 -13.829 10.898 26.587 1.00 37.78 ATOM 200 HG2 LYS 13 -13.369 9.611 25.478 1.00 33.41 ATOM 201 CD LYS 13 -15.360 10.348 25.187 1.00 73.50 ATOM 202 HD1 LYS 13 -15.816 11.316 25.019 1.00 37.78 ATOM 203 HD2 LYS 13 -15.861 9.857 26.009 1.00 52.01 ATOM 204 CE LYS 13 -15.539 9.493 23.932 1.00 30.04 ATOM 205 HE1 LYS 13 -15.041 8.546 24.085 1.00 37.78 ATOM 206 HE2 LYS 13 -15.088 10.003 23.096 1.00 15.15 ATOM 207 NZ LYS 13 -16.971 9.239 23.620 1.00 55.42 ATOM 208 HZ1 LYS 13 -17.409 8.681 24.380 1.00 22.52 ATOM 209 HZ2 LYS 13 -17.053 8.707 22.728 1.00 11.14 ATOM 210 HZ3 LYS 13 -17.487 10.136 23.524 1.00 51.22 ATOM 211 C LYS 13 -12.383 12.280 22.369 1.00 53.41 ATOM 212 O LYS 13 -11.819 13.252 22.877 1.00 23.51 ATOM 213 N PRO 14 -12.582 12.193 21.042 1.00 30.33 ATOM 214 CA PRO 14 -12.191 13.252 20.107 1.00 63.01 ATOM 215 HA PRO 14 -11.243 13.697 20.380 1.00 33.04 ATOM 216 CB PRO 14 -12.044 12.481 18.788 1.00 51.33 ATOM 217 HB1 PRO 14 -11.043 12.077 18.711 1.00 37.78 ATOM 218 HB2 PRO 14 -12.235 13.141 17.952 1.00 40.12 ATOM 219 CG PRO 14 -13.065 11.393 18.876 1.00 23.42 ATOM 220 HG1 PRO 14 -12.734 10.531 18.313 1.00 37.78 ATOM 221 HG2 PRO 14 -14.011 11.749 18.490 1.00 11.43 ATOM 222 CD PRO 14 -13.197 11.044 20.343 1.00 12.03 ATOM 223 HD1 PRO 14 -12.662 10.132 20.564 1.00 37.78 ATOM 224 HD2 PRO 14 -14.240 10.942 20.615 1.00 72.40 ATOM 225 C PRO 14 -13.262 14.354 19.998 1.00 63.52 ATOM 226 O PRO 14 -13.748 14.664 18.907 1.00 0.41 ATOM 227 N THR 15 -13.621 14.947 21.138 1.00 75.30 ATOM 228 HN THR 15 -13.191 14.669 21.973 1.00 37.78 ATOM 229 CA THR 15 -14.646 15.998 21.180 1.00 11.43 ATOM 230 HA THR 15 -15.561 15.586 20.773 1.00 31.13 ATOM 231 CB THR 15 -14.924 16.463 22.631 1.00 12.25 ATOM 232 HB THR 15 -14.048 16.977 23.004 1.00 1.21 ATOM 233 OG1 THR 15 -15.185 15.328 23.469 1.00 31.50 ATOM 234 HG1 THR 15 -14.666 15.409 24.280 1.00 63.24 ATOM 235 CG2 THR 15 -16.111 17.419 22.689 1.00 53.53 ATOM 236 HG21 THR 15 -16.285 17.711 23.714 1.00 34.01 ATOM 237 HG22 THR 15 -16.992 16.928 22.300 1.00 22.25 ATOM 238 HG23 THR 15 -15.896 18.297 22.097 1.00 74.55 ATOM 239 C THR 15 -14.233 17.213 20.338 1.00 31.32 ATOM 240 O THR 15 -13.459 18.062 20.785 1.00 51.20 ATOM 241 N ALA 16 -14.732 17.270 19.108 1.00 72.43 ATOM 242 HN ALA 16 -15.318 16.551 18.803 1.00 37.78 ATOM 243 CA ALA 16 -14.423 18.370 18.193 1.00 14.34 ATOM 244 HA ALA 16 -13.371 18.598 18.290 1.00 4.43 ATOM 245 CB ALA 16 -14.680 17.937 16.757 1.00 42.21 ATOM 246 HB1 ALA 16 -14.086 17.062 16.532 1.00 32.14 ATOM 247 HB2 ALA 16 -14.411 18.737 16.083 1.00 22.30 ATOM 248 HB3 ALA 16 -15.728 17.701 16.633 1.00 20.43 ATOM 249 C ALA 16 -15.236 19.629 18.522 1.00 14.01 ATOM 250 O ALA 16 -16.349 19.544 19.040 1.00 53.10 ATOM 251 N ARG 17 -14.675 20.797 18.219 1.00 54.32 ATOM 252 HN ARG 17 -13.782 20.806 17.812 1.00 37.78 ATOM 253 CA ARG 17 -15.350 22.070 18.487 1.00 71.15 ATOM 254 HA ARG 17 -16.049 21.911 19.295 1.00 65.11 ATOM 255 CB ARG 17 -14.321 23.126 18.920 1.00 64.43 ATOM 256 HB1 ARG 17 -13.778 23.461 18.047 1.00 37.78 ATOM 257 HB2 ARG 17 -13.624 22.668 19.607 1.00 15.31 ATOM 258 CG ARG 17 -14.932 24.350 19.603 1.00 50.50 ATOM 259 HG1 ARG 17 -15.693 24.769 18.959 1.00 37.78 ATOM 260 HG2 ARG 17 -14.155 25.083 19.766 1.00 11.21 ATOM 261 CD ARG 17 -15.562 23.992 20.950 1.00 33.22 ATOM 262 HD1 ARG 17 -16.353 23.273 20.786 1.00 37.78 ATOM 263 HD2 ARG 17 -15.979 24.888 21.388 1.00 72.33 ATOM 264 NE ARG 17 -14.585 23.422 21.877 1.00 31.33 ATOM 265 HE ARG 17 -13.646 23.427 21.605 1.00 75.50 ATOM 266 CZ ARG 17 -14.880 22.926 23.051 1.00 64.23 ATOM 267 NH1 ARG 17 -16.106 22.878 23.465 1.00 22.10 ATOM 268 HH11 ARG 17 -16.841 23.227 22.890 1.00 41.44 ATOM 269 HH12 ARG 17 -16.313 22.488 24.362 1.00 50.11 ATOM 270 NH2 ARG 17 -13.935 22.471 23.806 1.00 31.14 ATOM 271 HH21 ARG 17 -12.988 22.503 23.489 1.00 62.01 ATOM 272 HH22 ARG 17 -14.149 22.108 24.710 1.00 42.01 ATOM 273 C ARG 17 -16.128 22.557 17.247 1.00 55.33 ATOM 274 O ARG 17 -15.544 22.798 16.188 1.00 41.24 ATOM 275 N GLY 18 -17.445 22.700 17.386 1.00 54.30 ATOM 276 HN GLY 18 -17.858 22.512 18.256 1.00 37.78 ATOM 277 CA GLY 18 -18.281 23.130 16.269 1.00 54.23 ATOM 278 HA1 GLY 18 -19.302 22.842 16.474 1.00 37.78 ATOM 279 HA2 GLY 18 -17.954 22.622 15.372 1.00 50.44 ATOM 280 C GLY 18 -18.237 24.639 16.024 1.00 3.22 ATOM 281 O GLY 18 -19.208 25.345 16.292 1.00 53.21 ATOM 282 N GLU 19 -17.112 25.136 15.515 1.00 11.35 ATOM 283 HN GLU 19 -16.357 24.533 15.349 1.00 37.78 ATOM 284 CA GLU 19 -16.968 26.565 15.205 1.00 11.13 ATOM 285 HA GLU 19 -17.336 27.127 16.055 1.00 52.54 ATOM 286 CB GLU 19 -15.488 26.911 14.990 1.00 52.20 ATOM 287 HB1 GLU 19 -15.405 27.965 14.758 1.00 37.78 ATOM 288 HB2 GLU 19 -15.115 26.339 14.152 1.00 21.44 ATOM 289 CG GLU 19 -14.602 26.618 16.195 1.00 64.04 ATOM 290 HG1 GLU 19 -14.673 25.565 16.430 1.00 37.78 ATOM 291 HG2 GLU 19 -14.956 27.196 17.038 1.00 62.01 ATOM 292 CD GLU 19 -13.145 26.968 15.942 1.00 41.45 ATOM 293 OE1 GLU 19 -12.756 28.128 16.184 1.00 63.53 ATOM 294 OE2 GLU 19 -12.382 26.084 15.490 1.00 13.14 ATOM 295 C GLU 19 -17.785 26.957 13.959 1.00 11.42 ATOM 296 O GLU 19 -17.367 26.705 12.827 1.00 24.31 ATOM 297 N ALA 20 -18.953 27.567 14.169 1.00 31.33 ATOM 298 HN ALA 20 -19.237 27.753 15.089 1.00 37.78 ATOM 299 CA ALA 20 -19.831 27.955 13.057 1.00 54.12 ATOM 300 HA ALA 20 -19.256 27.893 12.141 1.00 74.33 ATOM 301 CB ALA 20 -20.992 26.970 12.942 1.00 2.04 ATOM 302 HB1 ALA 20 -21.621 27.046 13.817 1.00 21.32 ATOM 303 HB2 ALA 20 -20.605 25.964 12.865 1.00 60.13 ATOM 304 HB3 ALA 20 -21.574 27.197 12.060 1.00 73.12 ATOM 305 C ALA 20 -20.351 29.394 13.207 1.00 3.30 ATOM 306 O ALA 20 -21.305 29.655 13.945 1.00 10.14 ATOM 307 N GLY 21 -19.709 30.331 12.513 1.00 51.41 ATOM 308 HN GLY 21 -18.915 30.080 11.992 1.00 37.78 ATOM 309 CA GLY 21 -20.152 31.722 12.534 1.00 2.42 ATOM 310 HA1 GLY 21 -19.313 32.355 12.285 1.00 37.78 ATOM 311 HA2 GLY 21 -20.487 31.968 13.532 1.00 40.11 ATOM 312 C GLY 21 -21.289 32.002 11.550 1.00 2.11 ATOM 313 O GLY 21 -22.464 32.029 11.936 1.00 62.35 ATOM 314 N SER 22 -20.938 32.199 10.279 1.00 62.43 ATOM 315 HN SER 22 -19.985 32.176 10.044 1.00 37.78 ATOM 316 CA SER 22 -21.922 32.471 9.214 1.00 13.42 ATOM 317 HA SER 22 -22.537 33.295 9.537 1.00 53.10 ATOM 318 CB SER 22 -21.206 32.868 7.914 1.00 25.44 ATOM 319 HB1 SER 22 -21.942 33.129 7.166 1.00 37.78 ATOM 320 HB2 SER 22 -20.615 32.035 7.560 1.00 22.14 ATOM 321 OG SER 22 -20.349 33.980 8.112 1.00 3.23 ATOM 322 HG SER 22 -19.487 33.789 7.723 1.00 52.20 ATOM 323 C SER 22 -22.829 31.263 8.935 1.00 12.33 ATOM 324 O SER 22 -22.572 30.151 9.405 1.00 3.03 ATOM 325 N ARG 23 -23.883 31.482 8.152 1.00 53.21 ATOM 326 HN ARG 23 -24.039 32.388 7.799 1.00 37.78 ATOM 327 CA ARG 23 -24.819 30.409 7.796 1.00 23.42 ATOM 328 HA ARG 23 -25.187 29.974 8.715 1.00 53.14 ATOM 329 CB ARG 23 -26.005 30.982 7.004 1.00 21.22 ATOM 330 HB1 ARG 23 -25.648 31.320 6.041 1.00 37.78 ATOM 331 HB2 ARG 23 -26.405 31.829 7.545 1.00 11.25 ATOM 332 CG ARG 23 -27.141 29.987 6.774 1.00 52.12 ATOM 333 HG1 ARG 23 -27.546 29.693 7.732 1.00 37.78 ATOM 334 HG2 ARG 23 -26.748 29.115 6.268 1.00 71.01 ATOM 335 CD ARG 23 -28.260 30.587 5.925 1.00 33.13 ATOM 336 HD1 ARG 23 -27.897 30.723 4.915 1.00 37.78 ATOM 337 HD2 ARG 23 -28.532 31.548 6.339 1.00 61.52 ATOM 338 NE ARG 23 -29.448 29.732 5.899 1.00 43.32 ATOM 339 HE ARG 23 -29.804 29.431 6.759 1.00 71.34 ATOM 340 CZ ARG 23 -30.074 29.366 4.813 1.00 20.15 ATOM 341 NH1 ARG 23 -29.631 29.714 3.645 1.00 4.21 ATOM 342 HH11 ARG 23 -28.806 30.266 3.570 1.00 40.30 ATOM 343 HH12 ARG 23 -30.112 29.418 2.822 1.00 22.00 ATOM 344 NH2 ARG 23 -31.145 28.646 4.902 1.00 1.53 ATOM 345 HH21 ARG 23 -31.488 28.372 5.797 1.00 62.32 ATOM 346 HH22 ARG 23 -31.630 28.369 4.076 1.00 65.53 ATOM 347 C ARG 23 -24.115 29.316 6.977 1.00 51.34 ATOM 348 O ARG 23 -24.285 28.119 7.232 1.00 53.42 ATOM 349 N ASP 24 -23.306 29.745 6.010 1.00 14.40 ATOM 350 HN ASP 24 -23.217 30.711 5.863 1.00 37.78 ATOM 351 CA ASP 24 -22.554 28.826 5.150 1.00 4.13 ATOM 352 HA ASP 24 -23.273 28.195 4.646 1.00 44.24 ATOM 353 CB ASP 24 -21.768 29.609 4.094 1.00 24.52 ATOM 354 HB1 ASP 24 -21.089 28.938 3.587 1.00 37.78 ATOM 355 HB2 ASP 24 -21.196 30.388 4.581 1.00 13.33 ATOM 356 CG ASP 24 -22.675 30.249 3.061 1.00 14.54 ATOM 357 OD1 ASP 24 -23.242 31.326 3.343 1.00 32.54 ATOM 358 OD2 ASP 24 -22.832 29.670 1.967 1.00 63.03 ATOM 359 C ASP 24 -21.601 27.925 5.949 1.00 1.22 ATOM 360 O ASP 24 -21.254 26.834 5.495 1.00 60.30 ATOM 361 N GLU 25 -21.183 28.373 7.135 1.00 30.25 ATOM 362 HN GLU 25 -21.461 29.262 7.436 1.00 37.78 ATOM 363 CA GLU 25 -20.290 27.573 7.983 1.00 31.33 ATOM 364 HA GLU 25 -19.371 27.425 7.433 1.00 54.44 ATOM 365 CB GLU 25 -19.969 28.301 9.297 1.00 33.34 ATOM 366 HB1 GLU 25 -19.199 27.751 9.820 1.00 37.78 ATOM 367 HB2 GLU 25 -20.861 28.320 9.910 1.00 34.25 ATOM 368 CG GLU 25 -19.493 29.741 9.124 1.00 60.22 ATOM 369 HG1 GLU 25 -19.042 30.067 10.051 1.00 37.78 ATOM 370 HG2 GLU 25 -20.351 30.363 8.914 1.00 24.33 ATOM 371 CD GLU 25 -18.484 29.921 8.004 1.00 44.14 ATOM 372 OE1 GLU 25 -17.291 29.623 8.214 1.00 62.12 ATOM 373 OE2 GLU 25 -18.882 30.384 6.916 1.00 75.04 ATOM 374 C GLU 25 -20.904 26.198 8.284 1.00 21.22 ATOM 375 O GLU 25 -20.197 25.194 8.344 1.00 0.54 ATOM 376 N ARG 26 -22.230 26.159 8.452 1.00 0.24 ATOM 377 HN ARG 26 -22.738 26.998 8.423 1.00 37.78 ATOM 378 CA ARG 26 -22.944 24.892 8.656 1.00 74.31 ATOM 379 HA ARG 26 -22.479 24.386 9.491 1.00 42.12 ATOM 380 CB ARG 26 -24.431 25.138 8.985 1.00 34.21 ATOM 381 HB1 ARG 26 -24.973 24.212 8.847 1.00 37.78 ATOM 382 HB2 ARG 26 -24.822 25.872 8.292 1.00 31.44 ATOM 383 CG ARG 26 -24.700 25.640 10.410 1.00 55.32 ATOM 384 HG1 ARG 26 -24.220 24.969 11.110 1.00 37.78 ATOM 385 HG2 ARG 26 -25.767 25.633 10.585 1.00 41.42 ATOM 386 CD ARG 26 -24.181 27.058 10.647 1.00 11.24 ATOM 387 HD1 ARG 26 -24.658 27.724 9.942 1.00 37.78 ATOM 388 HD2 ARG 26 -23.112 27.071 10.484 1.00 65.22 ATOM 389 NE ARG 26 -24.459 27.529 12.006 1.00 11.43 ATOM 390 HE ARG 26 -24.959 26.934 12.597 1.00 71.01 ATOM 391 CZ ARG 26 -24.082 28.690 12.476 1.00 25.11 ATOM 392 NH1 ARG 26 -23.436 29.523 11.727 1.00 71.23 ATOM 393 HH11 ARG 26 -23.223 29.284 10.786 1.00 1.05 ATOM 394 HH12 ARG 26 -23.152 30.407 12.093 1.00 20.43 ATOM 395 NH2 ARG 26 -24.365 29.021 13.695 1.00 62.11 ATOM 396 HH21 ARG 26 -24.875 28.391 14.281 1.00 0.15 ATOM 397 HH22 ARG 26 -24.075 29.903 14.051 1.00 44.15 ATOM 398 C ARG 26 -22.811 24.000 7.410 1.00 61.10 ATOM 399 O ARG 26 -22.485 22.820 7.510 1.00 61.11 ATOM 400 N ARG 27 -23.042 24.593 6.239 1.00 65.21 ATOM 401 HN ARG 27 -23.350 25.523 6.235 1.00 37.78 ATOM 402 CA ARG 27 -22.845 23.903 4.955 1.00 74.41 ATOM 403 HA ARG 27 -23.522 23.060 4.927 1.00 12.33 ATOM 404 CB ARG 27 -23.189 24.860 3.794 1.00 41.52 ATOM 405 HB1 ARG 27 -22.668 24.533 2.904 1.00 37.78 ATOM 406 HB2 ARG 27 -22.845 25.853 4.050 1.00 54.45 ATOM 407 CG ARG 27 -24.687 24.936 3.471 1.00 33.20 ATOM 408 HG1 ARG 27 -25.245 24.544 4.312 1.00 37.78 ATOM 409 HG2 ARG 27 -24.886 24.324 2.602 1.00 33.21 ATOM 410 CD ARG 27 -25.170 26.363 3.182 1.00 71.00 ATOM 411 HD1 ARG 27 -25.152 26.920 4.107 1.00 37.78 ATOM 412 HD2 ARG 27 -26.187 26.315 2.821 1.00 35.22 ATOM 413 NE ARG 27 -24.352 27.072 2.191 1.00 5.15 ATOM 414 HE ARG 27 -23.555 27.534 2.515 1.00 72.53 ATOM 415 CZ ARG 27 -24.654 27.201 0.923 1.00 53.53 ATOM 416 NH1 ARG 27 -25.658 26.573 0.402 1.00 14.43 ATOM 417 HH11 ARG 27 -26.224 25.973 0.966 1.00 42.35 ATOM 418 HH12 ARG 27 -25.867 26.694 -0.568 1.00 71.03 ATOM 419 NH2 ARG 27 -23.933 27.963 0.170 1.00 21.43 ATOM 420 HH21 ARG 27 -23.156 28.458 0.561 1.00 33.40 ATOM 421 HH22 ARG 27 -24.157 28.059 -0.799 1.00 71.23 ATOM 422 C ARG 27 -21.401 23.382 4.816 1.00 25.12 ATOM 423 O ARG 27 -21.170 22.272 4.331 1.00 21.04 ATOM 424 N ALA 28 -20.439 24.188 5.266 1.00 72.31 ATOM 425 HN ALA 28 -20.690 25.051 5.657 1.00 37.78 ATOM 426 CA ALA 28 -19.017 23.834 5.191 1.00 70.53 ATOM 427 HA ALA 28 -18.785 23.617 4.157 1.00 54.03 ATOM 428 CB ALA 28 -18.166 25.024 5.623 1.00 62.24 ATOM 429 HB1 ALA 28 -17.119 24.773 5.533 1.00 60.41 ATOM 430 HB2 ALA 28 -18.389 25.274 6.652 1.00 10.55 ATOM 431 HB3 ALA 28 -18.388 25.872 4.992 1.00 53.11 ATOM 432 C ALA 28 -18.681 22.600 6.044 1.00 65.54 ATOM 433 O ALA 28 -18.074 21.642 5.560 1.00 62.24 ATOM 434 N LEU 29 -19.077 22.624 7.315 1.00 64.22 ATOM 435 HN LEU 29 -19.569 23.407 7.648 1.00 37.78 ATOM 436 CA LEU 29 -18.792 21.510 8.228 1.00 64.43 ATOM 437 HA LEU 29 -17.767 21.210 8.049 1.00 43.55 ATOM 438 CB LEU 29 -18.908 21.969 9.697 1.00 12.53 ATOM 439 HB1 LEU 29 -18.130 22.699 9.876 1.00 37.78 ATOM 440 HB2 LEU 29 -18.716 21.114 10.330 1.00 71.30 ATOM 441 CG LEU 29 -20.255 22.592 10.122 1.00 75.41 ATOM 442 HG LEU 29 -20.638 23.183 9.302 1.00 72.45 ATOM 443 CD1 LEU 29 -21.296 21.518 10.441 1.00 14.31 ATOM 444 HD11 LEU 29 -22.221 21.988 10.742 1.00 71.00 ATOM 445 HD12 LEU 29 -20.935 20.888 11.242 1.00 54.11 ATOM 446 HD13 LEU 29 -21.471 20.913 9.562 1.00 42.04 ATOM 447 CD2 LEU 29 -20.063 23.527 11.315 1.00 15.23 ATOM 448 HD21 LEU 29 -19.378 24.320 11.045 1.00 44.23 ATOM 449 HD22 LEU 29 -19.660 22.972 12.149 1.00 3.21 ATOM 450 HD23 LEU 29 -21.014 23.956 11.595 1.00 24.22 ATOM 451 C LEU 29 -19.688 20.290 7.945 1.00 13.32 ATOM 452 O LEU 29 -19.359 19.167 8.331 1.00 53.14 ATOM 453 N ALA 30 -20.821 20.513 7.276 1.00 75.34 ATOM 454 HN ALA 30 -21.065 21.437 7.044 1.00 37.78 ATOM 455 CA ALA 30 -21.726 19.420 6.895 1.00 33.20 ATOM 456 HA ALA 30 -21.877 18.797 7.768 1.00 4.33 ATOM 457 CB ALA 30 -23.082 19.976 6.475 1.00 51.15 ATOM 458 HB1 ALA 30 -23.477 20.597 7.265 1.00 2.43 ATOM 459 HB2 ALA 30 -23.765 19.161 6.284 1.00 31.52 ATOM 460 HB3 ALA 30 -22.967 20.568 5.577 1.00 53.11 ATOM 461 C ALA 30 -21.134 18.556 5.769 1.00 74.51 ATOM 462 O ALA 30 -21.291 17.335 5.761 1.00 4.32 ATOM 463 N MET 31 -20.472 19.200 4.809 1.00 5.12 ATOM 464 HN MET 31 -20.431 20.181 4.839 1.00 37.78 ATOM 465 CA MET 31 -19.815 18.489 3.700 1.00 43.43 ATOM 466 HA MET 31 -20.254 17.503 3.632 1.00 24.11 ATOM 467 CB MET 31 -20.061 19.232 2.381 1.00 23.24 ATOM 468 HB1 MET 31 -19.485 18.755 1.599 1.00 37.78 ATOM 469 HB2 MET 31 -19.726 20.255 2.487 1.00 35.10 ATOM 470 CG MET 31 -21.522 19.251 1.951 1.00 33.13 ATOM 471 HG1 MET 31 -21.617 19.885 1.080 1.00 37.78 ATOM 472 HG2 MET 31 -22.115 19.661 2.757 1.00 14.35 ATOM 473 SD MET 31 -22.153 17.607 1.546 1.00 32.24 ATOM 474 CE MET 31 -21.120 17.182 0.145 1.00 4.24 ATOM 475 HE1 MET 31 -20.087 17.158 0.452 1.00 25.55 ATOM 476 HE2 MET 31 -21.246 17.921 -0.634 1.00 11.45 ATOM 477 HE3 MET 31 -21.407 16.210 -0.225 1.00 13.43 ATOM 478 C MET 31 -18.301 18.334 3.940 1.00 51.14 ATOM 479 O MET 31 -17.591 17.752 3.117 1.00 71.32 ATOM 480 N LYS 32 -17.826 18.860 5.071 1.00 33.31 ATOM 481 HN LYS 32 -18.454 19.306 5.675 1.00 37.78 ATOM 482 CA LYS 32 -16.404 18.806 5.450 1.00 0.24 ATOM 483 HA LYS 32 -16.317 19.318 6.401 1.00 45.34 ATOM 484 CB LYS 32 -15.929 17.355 5.643 1.00 23.02 ATOM 485 HB1 LYS 32 -14.863 17.359 5.833 1.00 37.78 ATOM 486 HB2 LYS 32 -16.121 16.802 4.735 1.00 11.25 ATOM 487 CG LYS 32 -16.617 16.633 6.797 1.00 52.03 ATOM 488 HG1 LYS 32 -17.671 16.535 6.567 1.00 37.78 ATOM 489 HG2 LYS 32 -16.499 17.220 7.696 1.00 44.21 ATOM 490 CD LYS 32 -16.028 15.244 7.036 1.00 62.34 ATOM 491 HD1 LYS 32 -16.512 14.806 7.898 1.00 37.78 ATOM 492 HD2 LYS 32 -14.969 15.341 7.232 1.00 2.10 ATOM 493 CE LYS 32 -16.224 14.319 5.839 1.00 71.42 ATOM 494 HE1 LYS 32 -15.762 13.366 6.058 1.00 37.78 ATOM 495 HE2 LYS 32 -15.745 14.757 4.976 1.00 53.54 ATOM 496 NZ LYS 32 -17.663 14.098 5.531 1.00 2.13 ATOM 497 HZ1 LYS 32 -17.764 13.379 4.786 1.00 74.01 ATOM 498 HZ2 LYS 32 -18.101 14.980 5.199 1.00 75.30 ATOM 499 HZ3 LYS 32 -18.168 13.774 6.379 1.00 13.33 ATOM 500 C LYS 32 -15.502 19.540 4.440 1.00 31.33 ATOM 501 O LYS 32 -14.853 18.922 3.593 1.00 2.31 ATOM 502 N ILE 33 -15.484 20.868 4.530 1.00 62.52 ATOM 503 HN ILE 33 -16.089 21.305 5.165 1.00 37.78 ATOM 504 CA ILE 33 -14.600 21.698 3.701 1.00 32.13 ATOM 505 HA ILE 33 -14.397 21.159 2.784 1.00 52.32 ATOM 506 CB ILE 33 -15.281 23.047 3.332 1.00 1.32 ATOM 507 HB ILE 33 -15.530 23.558 4.252 1.00 23.00 ATOM 508 CG1 ILE 33 -16.581 22.792 2.542 1.00 32.42 ATOM 509 HG11 ILE 33 -17.058 23.740 2.330 1.00 37.78 ATOM 510 HG12 ILE 33 -17.246 22.191 3.144 1.00 60.54 ATOM 511 CG2 ILE 33 -14.331 23.944 2.535 1.00 44.52 ATOM 512 HG21 ILE 33 -14.043 23.444 1.621 1.00 2.23 ATOM 513 HG22 ILE 33 -13.450 24.150 3.123 1.00 13.22 ATOM 514 HG23 ILE 33 -14.826 24.875 2.294 1.00 32.04 ATOM 515 CD1 ILE 33 -16.375 22.069 1.223 1.00 43.11 ATOM 516 HD11 ILE 33 -15.739 22.661 0.580 1.00 45.41 ATOM 517 HD12 ILE 33 -17.332 21.920 0.743 1.00 22.14 ATOM 518 HD13 ILE 33 -15.911 21.110 1.405 1.00 24.32 ATOM 519 C ILE 33 -13.269 21.969 4.437 1.00 31.42 ATOM 520 O ILE 33 -13.260 22.574 5.509 1.00 30.44 ATOM 521 N PRO 34 -12.129 21.515 3.876 1.00 54.32 ATOM 522 CA PRO 34 -10.812 21.630 4.532 1.00 72.35 ATOM 523 HA PRO 34 -10.881 21.423 5.591 1.00 44.12 ATOM 524 CB PRO 34 -10.019 20.510 3.850 1.00 25.34 ATOM 525 HB1 PRO 34 -10.171 19.580 4.380 1.00 37.78 ATOM 526 HB2 PRO 34 -8.964 20.756 3.844 1.00 42.35 ATOM 527 CG PRO 34 -10.577 20.446 2.466 1.00 11.04 ATOM 528 HG1 PRO 34 -10.483 19.441 2.080 1.00 37.78 ATOM 529 HG2 PRO 34 -10.053 21.142 1.827 1.00 62.34 ATOM 530 CD PRO 34 -12.034 20.832 2.570 1.00 31.11 ATOM 531 HD1 PRO 34 -12.660 19.951 2.549 1.00 37.78 ATOM 532 HD2 PRO 34 -12.306 21.504 1.766 1.00 35.32 ATOM 533 C PRO 34 -10.112 22.995 4.330 1.00 71.22 ATOM 534 O PRO 34 -8.880 23.075 4.356 1.00 60.14 ATOM 535 N PHE 35 -10.891 24.065 4.148 1.00 52.42 ATOM 536 HN PHE 35 -11.864 23.951 4.122 1.00 37.78 ATOM 537 CA PHE 35 -10.328 25.418 4.001 1.00 44.03 ATOM 538 HA PHE 35 -9.514 25.501 4.708 1.00 21.13 ATOM 539 CB PHE 35 -9.761 25.625 2.582 1.00 0.51 ATOM 540 HB1 PHE 35 -8.925 24.952 2.441 1.00 37.78 ATOM 541 HB2 PHE 35 -9.406 26.640 2.491 1.00 64.44 ATOM 542 CG PHE 35 -10.744 25.379 1.462 1.00 12.12 ATOM 543 CD1 PHE 35 -10.919 24.104 0.948 1.00 11.13 ATOM 544 HD1 PHE 35 -10.358 23.283 1.368 1.00 73.43 ATOM 545 CD2 PHE 35 -11.476 26.421 0.912 1.00 45.21 ATOM 546 HD2 PHE 35 -11.352 27.422 1.299 1.00 21.00 ATOM 547 CE1 PHE 35 -11.803 23.872 -0.087 1.00 34.44 ATOM 548 HE1 PHE 35 -11.928 22.872 -0.476 1.00 13.52 ATOM 549 CE2 PHE 35 -12.364 26.192 -0.122 1.00 50.21 ATOM 550 HE2 PHE 35 -12.928 27.011 -0.542 1.00 61.52 ATOM 551 CZ PHE 35 -12.527 24.917 -0.623 1.00 21.31 ATOM 552 HZ PHE 35 -13.220 24.739 -1.433 1.00 32.15 ATOM 553 C PHE 35 -11.368 26.506 4.348 1.00 32.53 ATOM 554 O PHE 35 -12.574 26.271 4.257 1.00 45.32 ATOM 555 N PRO 36 -10.908 27.717 4.754 1.00 1.50 ATOM 556 CA PRO 36 -11.800 28.804 5.219 1.00 61.03 ATOM 557 HA PRO 36 -12.354 28.493 6.095 1.00 12.43 ATOM 558 CB PRO 36 -10.823 29.927 5.613 1.00 10.24 ATOM 559 HB1 PRO 36 -10.661 29.908 6.682 1.00 37.78 ATOM 560 HB2 PRO 36 -11.231 30.888 5.327 1.00 73.04 ATOM 561 CG PRO 36 -9.567 29.624 4.870 1.00 41.55 ATOM 562 HG1 PRO 36 -8.715 30.023 5.405 1.00 37.78 ATOM 563 HG2 PRO 36 -9.616 30.046 3.875 1.00 5.03 ATOM 564 CD PRO 36 -9.488 28.124 4.799 1.00 33.33 ATOM 565 HD1 PRO 36 -9.002 27.727 5.679 1.00 37.78 ATOM 566 HD2 PRO 36 -8.965 27.813 3.904 1.00 15.20 ATOM 567 C PRO 36 -12.798 29.303 4.154 1.00 65.14 ATOM 568 O PRO 36 -12.439 29.524 2.995 1.00 34.11 ATOM 569 N THR 37 -14.050 29.508 4.577 1.00 34.33 ATOM 570 HN THR 37 -14.258 29.353 5.522 1.00 37.78 ATOM 571 CA THR 37 -15.130 29.957 3.683 1.00 54.04 ATOM 572 HA THR 37 -15.179 29.270 2.847 1.00 63.14 ATOM 573 CB THR 37 -16.495 29.936 4.404 1.00 51.42 ATOM 574 HB THR 37 -17.252 30.307 3.727 1.00 2.43 ATOM 575 OG1 THR 37 -16.441 30.789 5.558 1.00 74.45 ATOM 576 HG1 THR 37 -16.984 30.407 6.265 1.00 63.03 ATOM 577 CG2 THR 37 -16.870 28.518 4.828 1.00 52.25 ATOM 578 HG21 THR 37 -17.839 28.529 5.305 1.00 21.55 ATOM 579 HG22 THR 37 -16.132 28.141 5.522 1.00 60.15 ATOM 580 HG23 THR 37 -16.904 27.878 3.958 1.00 10.12 ATOM 581 C THR 37 -14.898 31.375 3.148 1.00 23.51 ATOM 582 O THR 37 -15.200 31.669 1.991 1.00 63.43 ATOM 583 N ASP 38 -14.374 32.254 3.997 1.00 52.11 ATOM 584 HN ASP 38 -14.191 31.973 4.920 1.00 37.78 ATOM 585 CA ASP 38 -14.072 33.630 3.597 1.00 14.41 ATOM 586 HA ASP 38 -15.010 34.109 3.343 1.00 51.32 ATOM 587 CB ASP 38 -13.432 34.388 4.767 1.00 61.21 ATOM 588 HB1 ASP 38 -14.159 34.490 5.562 1.00 37.78 ATOM 589 HB2 ASP 38 -13.134 35.372 4.432 1.00 52.31 ATOM 590 CG ASP 38 -12.208 33.675 5.320 1.00 14.01 ATOM 591 OD1 ASP 38 -11.088 33.949 4.840 1.00 31.30 ATOM 592 OD2 ASP 38 -12.361 32.831 6.226 1.00 54.32 ATOM 593 C ASP 38 -13.157 33.660 2.360 1.00 4.44 ATOM 594 O ASP 38 -13.390 34.419 1.417 1.00 63.43 ATOM 595 N LYS 39 -12.135 32.810 2.363 1.00 3.43 ATOM 596 HN LYS 39 -11.992 32.248 3.153 1.00 37.78 ATOM 597 CA LYS 39 -11.211 32.700 1.230 1.00 51.52 ATOM 598 HA LYS 39 -10.708 33.652 1.127 1.00 22.04 ATOM 599 CB LYS 39 -10.164 31.613 1.517 1.00 64.03 ATOM 600 HB1 LYS 39 -10.678 30.687 1.736 1.00 37.78 ATOM 601 HB2 LYS 39 -9.590 31.907 2.385 1.00 51.20 ATOM 602 CG LYS 39 -9.200 31.365 0.362 1.00 31.25 ATOM 603 HG1 LYS 39 -8.744 32.305 0.080 1.00 37.78 ATOM 604 HG2 LYS 39 -9.756 30.973 -0.479 1.00 24.12 ATOM 605 CD LYS 39 -8.097 30.372 0.724 1.00 42.31 ATOM 606 HD1 LYS 39 -7.510 30.167 -0.161 1.00 37.78 ATOM 607 HD2 LYS 39 -8.550 29.455 1.073 1.00 21.43 ATOM 608 CE LYS 39 -7.176 30.913 1.813 1.00 1.43 ATOM 609 HE1 LYS 39 -7.745 31.029 2.725 1.00 37.78 ATOM 610 HE2 LYS 39 -6.798 31.876 1.503 1.00 62.10 ATOM 611 NZ LYS 39 -6.026 30.007 2.072 1.00 41.01 ATOM 612 HZ1 LYS 39 -6.368 29.062 2.335 1.00 24.24 ATOM 613 HZ2 LYS 39 -5.443 30.380 2.849 1.00 61.33 ATOM 614 HZ3 LYS 39 -5.433 29.925 1.220 1.00 1.33 ATOM 615 C LYS 39 -11.959 32.398 -0.082 1.00 60.02 ATOM 616 O LYS 39 -11.628 32.942 -1.138 1.00 12.43 ATOM 617 N ILE 40 -12.984 31.550 0.007 1.00 62.33 ATOM 618 HN ILE 40 -13.187 31.149 0.878 1.00 37.78 ATOM 619 CA ILE 40 -13.822 31.192 -1.148 1.00 33.22 ATOM 620 HA ILE 40 -13.217 30.622 -1.840 1.00 53.14 ATOM 621 CB ILE 40 -15.020 30.310 -0.702 1.00 13.12 ATOM 622 HB ILE 40 -15.590 30.869 0.027 1.00 32.10 ATOM 623 CG1 ILE 40 -14.525 29.008 -0.049 1.00 5.33 ATOM 624 HG11 ILE 40 -13.874 29.254 0.777 1.00 37.78 ATOM 625 HG12 ILE 40 -13.970 28.436 -0.778 1.00 13.04 ATOM 626 CG2 ILE 40 -15.945 30.006 -1.878 1.00 61.44 ATOM 627 HG21 ILE 40 -16.791 29.427 -1.534 1.00 20.31 ATOM 628 HG22 ILE 40 -15.406 29.441 -2.622 1.00 61.02 ATOM 629 HG23 ILE 40 -16.297 30.930 -2.314 1.00 54.20 ATOM 630 CD1 ILE 40 -15.635 28.120 0.484 1.00 1.32 ATOM 631 HD11 ILE 40 -16.292 27.837 -0.325 1.00 72.42 ATOM 632 HD12 ILE 40 -16.198 28.656 1.235 1.00 62.41 ATOM 633 HD13 ILE 40 -15.204 27.232 0.924 1.00 12.53 ATOM 634 C ILE 40 -14.371 32.437 -1.867 1.00 75.52 ATOM 635 O ILE 40 -14.375 32.516 -3.096 1.00 2.13 ATOM 636 N VAL 41 -14.831 33.407 -1.085 1.00 62.41 ATOM 637 HN VAL 41 -14.742 33.312 -0.111 1.00 37.78 ATOM 638 CA VAL 41 -15.473 34.606 -1.627 1.00 23.52 ATOM 639 HA VAL 41 -15.962 34.334 -2.552 1.00 63.23 ATOM 640 CB VAL 41 -16.556 35.131 -0.648 1.00 10.33 ATOM 641 HB VAL 41 -16.057 35.501 0.237 1.00 4.45 ATOM 642 CG1 VAL 41 -17.350 36.287 -1.261 1.00 31.41 ATOM 643 HG11 VAL 41 -17.856 35.946 -2.152 1.00 24.22 ATOM 644 HG12 VAL 41 -16.679 37.095 -1.516 1.00 50.51 ATOM 645 HG13 VAL 41 -18.081 36.640 -0.547 1.00 53.41 ATOM 646 CG2 VAL 41 -17.493 33.998 -0.222 1.00 4.12 ATOM 647 HG21 VAL 41 -17.952 33.561 -1.098 1.00 53.13 ATOM 648 HG22 VAL 41 -18.262 34.390 0.427 1.00 5.53 ATOM 649 HG23 VAL 41 -16.931 33.239 0.306 1.00 65.32 ATOM 650 C VAL 41 -14.460 35.733 -1.920 1.00 1.35 ATOM 651 O VAL 41 -14.688 36.571 -2.796 1.00 70.34 ATOM 652 N ASN 42 -13.338 35.750 -1.200 1.00 45.30 ATOM 653 HN ASN 42 -13.157 35.012 -0.578 1.00 37.78 ATOM 654 CA ASN 42 -12.370 36.854 -1.314 1.00 42.32 ATOM 655 HA ASN 42 -12.925 37.727 -1.629 1.00 40.33 ATOM 656 CB ASN 42 -11.752 37.159 0.053 1.00 32.42 ATOM 657 HB1 ASN 42 -10.865 37.764 -0.081 1.00 37.78 ATOM 658 HB2 ASN 42 -11.479 36.232 0.539 1.00 73.42 ATOM 659 CG ASN 42 -12.716 37.914 0.954 1.00 63.21 ATOM 660 OD1 ASN 42 -12.724 39.142 0.983 1.00 4.31 ATOM 661 ND2 ASN 42 -13.548 37.196 1.678 1.00 15.31 ATOM 662 HD21 ASN 42 -13.502 36.224 1.606 1.00 45.15 ATOM 663 HD22 ASN 42 -14.185 37.669 2.253 1.00 4.05 ATOM 664 C ASN 42 -11.264 36.606 -2.363 1.00 52.51 ATOM 665 O ASN 42 -10.548 37.539 -2.735 1.00 52.14 ATOM 666 N LEU 43 -11.110 35.369 -2.837 1.00 42.44 ATOM 667 HN LEU 43 -11.638 34.634 -2.455 1.00 37.78 ATOM 668 CA LEU 43 -10.147 35.085 -3.915 1.00 54.30 ATOM 669 HA LEU 43 -9.290 35.729 -3.766 1.00 61.12 ATOM 670 CB LEU 43 -9.675 33.622 -3.868 1.00 14.41 ATOM 671 HB1 LEU 43 -9.171 33.397 -4.799 1.00 37.78 ATOM 672 HB2 LEU 43 -10.548 32.989 -3.792 1.00 52.45 ATOM 673 CG LEU 43 -8.725 33.263 -2.713 1.00 53.51 ATOM 674 HG LEU 43 -9.267 33.332 -1.780 1.00 53.23 ATOM 675 CD1 LEU 43 -8.233 31.823 -2.858 1.00 3.33 ATOM 676 HD11 LEU 43 -7.578 31.580 -2.033 1.00 64.30 ATOM 677 HD12 LEU 43 -7.693 31.715 -3.789 1.00 21.35 ATOM 678 HD13 LEU 43 -9.079 31.152 -2.852 1.00 53.44 ATOM 679 CD2 LEU 43 -7.547 34.234 -2.647 1.00 24.01 ATOM 680 HD21 LEU 43 -6.983 34.184 -3.568 1.00 64.43 ATOM 681 HD22 LEU 43 -6.907 33.967 -1.819 1.00 31.31 ATOM 682 HD23 LEU 43 -7.915 35.240 -2.504 1.00 12.25 ATOM 683 C LEU 43 -10.744 35.383 -5.302 1.00 52.15 ATOM 684 O LEU 43 -11.942 35.182 -5.531 1.00 53.22 ATOM 685 N PRO 44 -9.920 35.878 -6.249 1.00 65.42 ATOM 686 CA PRO 44 -10.349 36.080 -7.646 1.00 55.11 ATOM 687 HA PRO 44 -11.225 36.713 -7.699 1.00 33.42 ATOM 688 CB PRO 44 -9.152 36.803 -8.287 1.00 52.53 ATOM 689 HB1 PRO 44 -9.327 37.870 -8.280 1.00 37.78 ATOM 690 HB2 PRO 44 -9.019 36.465 -9.307 1.00 51.44 ATOM 691 CG PRO 44 -7.984 36.438 -7.434 1.00 32.10 ATOM 692 HG1 PRO 44 -7.238 37.218 -7.474 1.00 37.78 ATOM 693 HG2 PRO 44 -7.561 35.500 -7.772 1.00 24.33 ATOM 694 CD PRO 44 -8.520 36.293 -6.035 1.00 13.54 ATOM 695 HD1 PRO 44 -8.472 37.237 -5.509 1.00 37.78 ATOM 696 HD2 PRO 44 -7.969 35.532 -5.496 1.00 22.22 ATOM 697 C PRO 44 -10.651 34.747 -8.360 1.00 62.32 ATOM 698 O PRO 44 -10.305 33.674 -7.860 1.00 15.41 ATOM 699 N VAL 45 -11.287 34.818 -9.531 1.00 70.45 ATOM 700 HN VAL 45 -11.428 35.696 -9.945 1.00 37.78 ATOM 701 CA VAL 45 -11.777 33.614 -10.222 1.00 12.53 ATOM 702 HA VAL 45 -12.510 33.156 -9.570 1.00 34.50 ATOM 703 CB VAL 45 -12.495 33.975 -11.553 1.00 42.54 ATOM 704 HB VAL 45 -13.282 34.680 -11.322 1.00 15.41 ATOM 705 CG1 VAL 45 -11.543 34.647 -12.542 1.00 35.34 ATOM 706 HG11 VAL 45 -11.139 35.547 -12.101 1.00 45.41 ATOM 707 HG12 VAL 45 -12.079 34.901 -13.447 1.00 33.50 ATOM 708 HG13 VAL 45 -10.734 33.973 -12.782 1.00 41.52 ATOM 709 CG2 VAL 45 -13.146 32.738 -12.173 1.00 44.31 ATOM 710 HG21 VAL 45 -13.871 32.326 -11.486 1.00 51.32 ATOM 711 HG22 VAL 45 -12.388 31.997 -12.381 1.00 70.11 ATOM 712 HG23 VAL 45 -13.641 33.013 -13.094 1.00 75.01 ATOM 713 C VAL 45 -10.663 32.580 -10.486 1.00 3.24 ATOM 714 O VAL 45 -10.870 31.380 -10.298 1.00 51.42 ATOM 715 N ASP 46 -9.482 33.044 -10.892 1.00 74.35 ATOM 716 HN ASP 46 -9.359 34.012 -10.994 1.00 37.78 ATOM 717 CA ASP 46 -8.362 32.142 -11.198 1.00 2.53 ATOM 718 HA ASP 46 -8.726 31.402 -11.899 1.00 72.44 ATOM 719 CB ASP 46 -7.223 32.917 -11.859 1.00 62.14 ATOM 720 HB1 ASP 46 -6.903 33.712 -11.200 1.00 37.78 ATOM 721 HB2 ASP 46 -7.577 33.348 -12.786 1.00 42.41 ATOM 722 CG ASP 46 -6.029 32.029 -12.168 1.00 11.12 ATOM 723 OD1 ASP 46 -6.143 31.165 -13.065 1.00 61.40 ATOM 724 OD2 ASP 46 -4.971 32.198 -11.528 1.00 34.34 ATOM 725 C ASP 46 -7.852 31.410 -9.942 1.00 11.53 ATOM 726 O ASP 46 -7.833 30.179 -9.903 1.00 23.24 ATOM 727 N ASP 47 -7.439 32.171 -8.925 1.00 4.35 ATOM 728 HN ASP 47 -7.427 33.145 -9.032 1.00 37.78 ATOM 729 CA ASP 47 -6.994 31.585 -7.651 1.00 14.41 ATOM 730 HA ASP 47 -6.091 31.021 -7.847 1.00 54.13 ATOM 731 CB ASP 47 -6.679 32.691 -6.634 1.00 11.24 ATOM 732 HB1 ASP 47 -6.556 32.248 -5.655 1.00 37.78 ATOM 733 HB2 ASP 47 -7.505 33.390 -6.605 1.00 15.22 ATOM 734 CG ASP 47 -5.413 33.456 -6.982 1.00 5.53 ATOM 735 OD1 ASP 47 -4.342 33.119 -6.438 1.00 43.33 ATOM 736 OD2 ASP 47 -5.483 34.401 -7.796 1.00 62.35 ATOM 737 C ASP 47 -8.054 30.628 -7.080 1.00 3.03 ATOM 738 O ASP 47 -7.727 29.613 -6.466 1.00 45.12 ATOM 739 N PHE 48 -9.323 30.960 -7.301 1.00 62.42 ATOM 740 HN PHE 48 -9.520 31.816 -7.738 1.00 37.78 ATOM 741 CA PHE 48 -10.438 30.094 -6.906 1.00 50.44 ATOM 742 HA PHE 48 -10.350 29.899 -5.845 1.00 61.43 ATOM 743 CB PHE 48 -11.767 30.814 -7.174 1.00 1.15 ATOM 744 HB1 PHE 48 -11.807 31.098 -8.218 1.00 37.78 ATOM 745 HB2 PHE 48 -11.814 31.708 -6.568 1.00 34.32 ATOM 746 CG PHE 48 -12.988 29.984 -6.872 1.00 32.01 ATOM 747 CD1 PHE 48 -13.631 29.279 -7.880 1.00 3.32 ATOM 748 HD1 PHE 48 -13.247 29.327 -8.888 1.00 63.41 ATOM 749 CD2 PHE 48 -13.497 29.911 -5.585 1.00 74.24 ATOM 750 HD2 PHE 48 -13.008 30.455 -4.788 1.00 3.22 ATOM 751 CE1 PHE 48 -14.750 28.518 -7.611 1.00 43.21 ATOM 752 HE1 PHE 48 -15.239 27.976 -8.407 1.00 64.04 ATOM 753 CE2 PHE 48 -14.616 29.150 -5.312 1.00 61.02 ATOM 754 HE2 PHE 48 -15.001 29.098 -4.306 1.00 44.22 ATOM 755 CZ PHE 48 -15.244 28.455 -6.325 1.00 53.12 ATOM 756 HZ PHE 48 -16.118 27.859 -6.111 1.00 3.13 ATOM 757 C PHE 48 -10.397 28.754 -7.666 1.00 52.05 ATOM 758 O PHE 48 -10.558 27.685 -7.073 1.00 1.24 ATOM 759 N ASN 49 -10.187 28.820 -8.982 1.00 0.11 ATOM 760 HN ASN 49 -10.101 29.701 -9.408 1.00 37.78 ATOM 761 CA ASN 49 -10.084 27.610 -9.811 1.00 73.45 ATOM 762 HA ASN 49 -11.027 27.084 -9.748 1.00 71.12 ATOM 763 CB ASN 49 -9.822 27.984 -11.274 1.00 73.31 ATOM 764 HB1 ASN 49 -9.712 27.079 -11.858 1.00 37.78 ATOM 765 HB2 ASN 49 -8.906 28.554 -11.332 1.00 31.44 ATOM 766 CG ASN 49 -10.938 28.812 -11.880 1.00 13.21 ATOM 767 OD1 ASN 49 -12.105 28.677 -11.518 1.00 44.53 ATOM 768 ND2 ASN 49 -10.594 29.675 -12.813 1.00 13.32 ATOM 769 HD21 ASN 49 -9.647 29.738 -13.063 1.00 72.44 ATOM 770 HD22 ASN 49 -11.298 30.219 -13.221 1.00 14.33 ATOM 771 C ASN 49 -8.965 26.685 -9.305 1.00 54.41 ATOM 772 O ASN 49 -9.156 25.475 -9.160 1.00 24.41 ATOM 773 N GLU 50 -7.799 27.267 -9.032 1.00 43.10 ATOM 774 HN GLU 50 -7.698 28.230 -9.192 1.00 37.78 ATOM 775 CA GLU 50 -6.662 26.503 -8.503 1.00 41.13 ATOM 776 HA GLU 50 -6.521 25.640 -9.141 1.00 14.43 ATOM 777 CB GLU 50 -5.385 27.356 -8.534 1.00 2.04 ATOM 778 HB1 GLU 50 -4.555 26.754 -8.190 1.00 37.78 ATOM 779 HB2 GLU 50 -5.510 28.195 -7.862 1.00 75.24 ATOM 780 CG GLU 50 -5.040 27.903 -9.919 1.00 3.02 ATOM 781 HG1 GLU 50 -4.095 28.426 -9.858 1.00 37.78 ATOM 782 HG2 GLU 50 -5.810 28.601 -10.216 1.00 14.23 ATOM 783 CD GLU 50 -4.928 26.818 -10.984 1.00 25.52 ATOM 784 OE1 GLU 50 -5.892 26.634 -11.760 1.00 75.00 ATOM 785 OE2 GLU 50 -3.873 26.146 -11.056 1.00 35.31 ATOM 786 C GLU 50 -6.945 26.011 -7.072 1.00 72.20 ATOM 787 O GLU 50 -6.521 24.923 -6.682 1.00 62.13 ATOM 788 N LEU 51 -7.676 26.816 -6.299 1.00 13.23 ATOM 789 HN LEU 51 -7.942 27.692 -6.648 1.00 37.78 ATOM 790 CA LEU 51 -8.090 26.437 -4.943 1.00 23.44 ATOM 791 HA LEU 51 -7.200 26.328 -4.342 1.00 34.23 ATOM 792 CB LEU 51 -8.971 27.543 -4.338 1.00 14.51 ATOM 793 HB1 LEU 51 -9.858 27.636 -4.948 1.00 37.78 ATOM 794 HB2 LEU 51 -8.424 28.475 -4.391 1.00 52.20 ATOM 795 CG LEU 51 -9.413 27.329 -2.881 1.00 61.32 ATOM 796 HG LEU 51 -9.927 26.380 -2.806 1.00 11.03 ATOM 797 CD1 LEU 51 -8.207 27.279 -1.951 1.00 31.24 ATOM 798 HD11 LEU 51 -8.541 27.107 -0.937 1.00 32.44 ATOM 799 HD12 LEU 51 -7.673 28.217 -1.999 1.00 52.22 ATOM 800 HD13 LEU 51 -7.550 26.476 -2.253 1.00 53.23 ATOM 801 CD2 LEU 51 -10.387 28.426 -2.449 1.00 11.05 ATOM 802 HD21 LEU 51 -11.267 28.397 -3.076 1.00 22.05 ATOM 803 HD22 LEU 51 -9.911 29.392 -2.543 1.00 33.22 ATOM 804 HD23 LEU 51 -10.675 28.267 -1.419 1.00 64.53 ATOM 805 C LEU 51 -8.850 25.102 -4.955 1.00 75.23 ATOM 806 O LEU 51 -8.531 24.185 -4.196 1.00 51.35 ATOM 807 N LEU 52 -9.845 24.997 -5.837 1.00 21.30 ATOM 808 HN LEU 52 -10.076 25.782 -6.386 1.00 37.78 ATOM 809 CA LEU 52 -10.613 23.755 -6.005 1.00 4.14 ATOM 810 HA LEU 52 -11.096 23.533 -5.065 1.00 35.11 ATOM 811 CB LEU 52 -11.688 23.939 -7.088 1.00 33.21 ATOM 812 HB1 LEU 52 -12.230 23.009 -7.185 1.00 37.78 ATOM 813 HB2 LEU 52 -11.190 24.144 -8.027 1.00 64.22 ATOM 814 CG LEU 52 -12.707 25.063 -6.829 1.00 75.51 ATOM 815 HG LEU 52 -12.177 26.003 -6.731 1.00 61.44 ATOM 816 CD1 LEU 52 -13.674 25.192 -8.005 1.00 64.22 ATOM 817 HD11 LEU 52 -14.217 24.265 -8.131 1.00 24.11 ATOM 818 HD12 LEU 52 -13.121 25.409 -8.907 1.00 25.21 ATOM 819 HD13 LEU 52 -14.372 25.994 -7.811 1.00 32.45 ATOM 820 CD2 LEU 52 -13.471 24.812 -5.529 1.00 53.12 ATOM 821 HD21 LEU 52 -14.003 23.873 -5.599 1.00 44.34 ATOM 822 HD22 LEU 52 -14.178 25.613 -5.361 1.00 40.42 ATOM 823 HD23 LEU 52 -12.777 24.770 -4.702 1.00 24.04 ATOM 824 C LEU 52 -9.700 22.573 -6.386 1.00 13.21 ATOM 825 O LEU 52 -9.909 21.435 -5.954 1.00 20.14 ATOM 826 N ALA 53 -8.687 22.858 -7.198 1.00 75.44 ATOM 827 HN ALA 53 -8.561 23.787 -7.486 1.00 37.78 ATOM 828 CA ALA 53 -7.758 21.832 -7.680 1.00 2.12 ATOM 829 HA ALA 53 -8.340 20.965 -7.963 1.00 14.31 ATOM 830 CB ALA 53 -7.038 22.337 -8.925 1.00 71.22 ATOM 831 HB1 ALA 53 -6.439 23.200 -8.671 1.00 1.32 ATOM 832 HB2 ALA 53 -7.764 22.614 -9.675 1.00 23.33 ATOM 833 HB3 ALA 53 -6.400 21.556 -9.315 1.00 32.10 ATOM 834 C ALA 53 -6.736 21.416 -6.605 1.00 52.42 ATOM 835 O ALA 53 -6.198 20.309 -6.646 1.00 50.54 ATOM 836 N ARG 54 -6.474 22.301 -5.646 1.00 61.33 ATOM 837 HN ARG 54 -6.954 23.160 -5.649 1.00 37.78 ATOM 838 CA ARG 54 -5.478 22.039 -4.593 1.00 3.03 ATOM 839 HA ARG 54 -4.685 21.453 -5.035 1.00 61.14 ATOM 840 CB ARG 54 -4.882 23.363 -4.096 1.00 2.02 ATOM 841 HB1 ARG 54 -4.314 23.173 -3.196 1.00 37.78 ATOM 842 HB2 ARG 54 -5.690 24.041 -3.863 1.00 23.21 ATOM 843 CG ARG 54 -3.961 24.041 -5.105 1.00 15.13 ATOM 844 HG1 ARG 54 -4.516 24.230 -6.014 1.00 37.78 ATOM 845 HG2 ARG 54 -3.131 23.383 -5.321 1.00 44.32 ATOM 846 CD ARG 54 -3.417 25.362 -4.574 1.00 14.54 ATOM 847 HD1 ARG 54 -2.952 25.184 -3.614 1.00 37.78 ATOM 848 HD2 ARG 54 -4.238 26.054 -4.453 1.00 12.51 ATOM 849 NE ARG 54 -2.429 25.946 -5.477 1.00 2.45 ATOM 850 HE ARG 54 -1.964 25.339 -6.088 1.00 25.11 ATOM 851 CZ ARG 54 -2.113 27.211 -5.513 1.00 1.23 ATOM 852 NH1 ARG 54 -2.693 28.062 -4.729 1.00 73.20 ATOM 853 HH11 ARG 54 -3.383 27.754 -4.086 1.00 37.78 ATOM 854 HH12 ARG 54 -2.446 29.028 -4.778 1.00 0.23 ATOM 855 NH2 ARG 54 -1.211 27.627 -6.338 1.00 24.03 ATOM 856 HH21 ARG 54 -0.753 26.982 -6.946 1.00 14.03 ATOM 857 HH22 ARG 54 -0.974 28.597 -6.369 1.00 33.04 ATOM 858 C ARG 54 -6.054 21.248 -3.405 1.00 11.32 ATOM 859 O ARG 54 -5.325 20.902 -2.469 1.00 21.42 ATOM 860 N TYR 55 -7.353 20.967 -3.431 1.00 31.24 ATOM 861 HN TYR 55 -7.888 21.261 -4.198 1.00 37.78 ATOM 862 CA TYR 55 -8.006 20.231 -2.337 1.00 33.34 ATOM 863 HA TYR 55 -7.228 19.900 -1.658 1.00 23.14 ATOM 864 CB TYR 55 -8.954 21.165 -1.571 1.00 63.20 ATOM 865 HB1 TYR 55 -9.614 20.573 -0.952 1.00 37.78 ATOM 866 HB2 TYR 55 -9.546 21.728 -2.280 1.00 15.14 ATOM 867 CG TYR 55 -8.229 22.155 -0.674 1.00 75.43 ATOM 868 CD1 TYR 55 -7.917 21.821 0.641 1.00 31.41 ATOM 869 HD1 TYR 55 -8.210 20.851 1.020 1.00 61.44 ATOM 870 CD2 TYR 55 -7.842 23.408 -1.138 1.00 14.30 ATOM 871 HD2 TYR 55 -8.076 23.687 -2.156 1.00 21.14 ATOM 872 CE1 TYR 55 -7.252 22.704 1.465 1.00 73.22 ATOM 873 HE1 TYR 55 -7.020 22.423 2.480 1.00 41.43 ATOM 874 CE2 TYR 55 -7.175 24.298 -0.316 1.00 41.23 ATOM 875 HE2 TYR 55 -6.884 25.268 -0.695 1.00 73.13 ATOM 876 CZ TYR 55 -6.879 23.939 0.984 1.00 24.22 ATOM 877 OH TYR 55 -6.213 24.820 1.806 1.00 3.32 ATOM 878 HH TYR 55 -5.515 24.351 2.276 1.00 55.11 ATOM 879 C TYR 55 -8.763 18.987 -2.839 1.00 2.33 ATOM 880 O TYR 55 -9.273 18.969 -3.962 1.00 22.20 ATOM 881 N PRO 56 -8.847 17.925 -2.001 1.00 13.14 ATOM 882 CA PRO 56 -9.516 16.653 -2.358 1.00 40.11 ATOM 883 HA PRO 56 -9.207 16.308 -3.336 1.00 32.44 ATOM 884 CB PRO 56 -9.010 15.664 -1.277 1.00 14.32 ATOM 885 HB1 PRO 56 -8.593 14.788 -1.755 1.00 37.78 ATOM 886 HB2 PRO 56 -9.833 15.366 -0.643 1.00 1.04 ATOM 887 CG PRO 56 -7.967 16.404 -0.497 1.00 31.42 ATOM 888 HG1 PRO 56 -6.986 16.195 -0.902 1.00 37.78 ATOM 889 HG2 PRO 56 -8.010 16.113 0.543 1.00 72.42 ATOM 890 CD PRO 56 -8.288 17.862 -0.643 1.00 41.24 ATOM 891 HD1 PRO 56 -7.390 18.458 -0.565 1.00 37.78 ATOM 892 HD2 PRO 56 -9.017 18.170 0.095 1.00 61.51 ATOM 893 C PRO 56 -11.055 16.744 -2.322 1.00 3.53 ATOM 894 O PRO 56 -11.735 15.826 -1.853 1.00 24.41 ATOM 895 N LEU 57 -11.599 17.838 -2.841 1.00 30.53 ATOM 896 HN LEU 57 -11.016 18.504 -3.257 1.00 37.78 ATOM 897 CA LEU 57 -13.046 18.069 -2.827 1.00 60.54 ATOM 898 HA LEU 57 -13.400 17.908 -1.818 1.00 43.54 ATOM 899 CB LEU 57 -13.347 19.518 -3.234 1.00 4.11 ATOM 900 HB1 LEU 57 -14.419 19.654 -3.232 1.00 37.78 ATOM 901 HB2 LEU 57 -12.988 19.664 -4.246 1.00 23.53 ATOM 902 CG LEU 57 -12.723 20.604 -2.342 1.00 14.41 ATOM 903 HG LEU 57 -11.650 20.470 -2.321 1.00 23.02 ATOM 904 CD1 LEU 57 -13.007 21.993 -2.911 1.00 71.04 ATOM 905 HD11 LEU 57 -12.567 22.745 -2.271 1.00 55.11 ATOM 906 HD12 LEU 57 -14.075 22.152 -2.968 1.00 42.14 ATOM 907 HD13 LEU 57 -12.579 22.072 -3.900 1.00 41.03 ATOM 908 CD2 LEU 57 -13.239 20.491 -0.909 1.00 41.02 ATOM 909 HD21 LEU 57 -12.979 19.523 -0.508 1.00 62.34 ATOM 910 HD22 LEU 57 -14.314 20.607 -0.901 1.00 14.14 ATOM 911 HD23 LEU 57 -12.790 21.264 -0.302 1.00 70.50 ATOM 912 C LEU 57 -13.787 17.110 -3.772 1.00 3.43 ATOM 913 O LEU 57 -13.347 16.862 -4.899 1.00 73.25 ATOM 914 N THR 58 -14.906 16.567 -3.305 1.00 21.21 ATOM 915 HN THR 58 -15.142 16.694 -2.361 1.00 37.78 ATOM 916 CA THR 58 -15.790 15.768 -4.163 1.00 54.34 ATOM 917 HA THR 58 -15.184 15.059 -4.711 1.00 10.34 ATOM 918 CB THR 58 -16.850 14.989 -3.345 1.00 4.23 ATOM 919 HB THR 58 -17.346 14.288 -4.003 1.00 12.43 ATOM 920 OG1 THR 58 -17.828 15.896 -2.805 1.00 73.34 ATOM 921 HG1 THR 58 -18.369 15.430 -2.152 1.00 32.33 ATOM 922 CG2 THR 58 -16.199 14.209 -2.208 1.00 10.41 ATOM 923 HG21 THR 58 -15.693 14.894 -1.541 1.00 31.30 ATOM 924 HG22 THR 58 -15.483 13.509 -2.614 1.00 75.25 ATOM 925 HG23 THR 58 -16.957 13.669 -1.661 1.00 42.11 ATOM 926 C THR 58 -16.524 16.678 -5.153 1.00 61.13 ATOM 927 O THR 58 -16.665 17.877 -4.907 1.00 1.15 ATOM 928 N GLU 59 -16.998 16.114 -6.263 1.00 61.45 ATOM 929 HN GLU 59 -16.845 15.157 -6.415 1.00 37.78 ATOM 930 CA GLU 59 -17.745 16.889 -7.269 1.00 35.42 ATOM 931 HA GLU 59 -17.050 17.559 -7.754 1.00 25.25 ATOM 932 CB GLU 59 -18.340 15.942 -8.320 1.00 22.23 ATOM 933 HB1 GLU 59 -18.917 16.522 -9.028 1.00 37.78 ATOM 934 HB2 GLU 59 -18.998 15.242 -7.824 1.00 61.04 ATOM 935 CG GLU 59 -17.295 15.145 -9.096 1.00 3.43 ATOM 936 HG1 GLU 59 -16.654 14.628 -8.393 1.00 37.78 ATOM 937 HG2 GLU 59 -16.699 15.833 -9.681 1.00 64.11 ATOM 938 CD GLU 59 -17.917 14.125 -10.037 1.00 64.30 ATOM 939 OE1 GLU 59 -18.475 14.532 -11.077 1.00 32.13 ATOM 940 OE2 GLU 59 -17.851 12.912 -9.742 1.00 34.34 ATOM 941 C GLU 59 -18.862 17.727 -6.617 1.00 44.51 ATOM 942 O GLU 59 -19.108 18.874 -7.005 1.00 12.52 ATOM 943 N SER 60 -19.518 17.147 -5.613 1.00 54.10 ATOM 944 HN SER 60 -19.308 16.214 -5.389 1.00 37.78 ATOM 945 CA SER 60 -20.547 17.852 -4.839 1.00 12.13 ATOM 946 HA SER 60 -21.271 18.250 -5.538 1.00 75.53 ATOM 947 CB SER 60 -21.262 16.882 -3.885 1.00 53.41 ATOM 948 HB1 SER 60 -20.542 16.450 -3.204 1.00 37.78 ATOM 949 HB2 SER 60 -21.730 16.095 -4.457 1.00 15.43 ATOM 950 OG SER 60 -22.266 17.544 -3.126 1.00 62.45 ATOM 951 HG SER 60 -22.690 16.904 -2.536 1.00 73.33 ATOM 952 C SER 60 -19.946 19.017 -4.037 1.00 35.10 ATOM 953 O SER 60 -20.544 20.092 -3.938 1.00 23.41 ATOM 954 N GLN 61 -18.753 18.810 -3.474 1.00 75.23 ATOM 955 HN GLN 61 -18.312 17.939 -3.589 1.00 37.78 ATOM 956 CA GLN 61 -18.084 19.856 -2.691 1.00 4.14 ATOM 957 HA GLN 61 -18.796 20.201 -1.951 1.00 40.45 ATOM 958 CB GLN 61 -16.858 19.299 -1.956 1.00 63.44 ATOM 959 HB1 GLN 61 -16.319 20.120 -1.501 1.00 37.78 ATOM 960 HB2 GLN 61 -16.213 18.813 -2.675 1.00 42.44 ATOM 961 CG GLN 61 -17.202 18.290 -0.864 1.00 12.42 ATOM 962 HG1 GLN 61 -17.641 17.417 -1.324 1.00 37.78 ATOM 963 HG2 GLN 61 -17.920 18.737 -0.190 1.00 71.51 ATOM 964 CD GLN 61 -15.989 17.855 -0.059 1.00 72.44 ATOM 965 OE1 GLN 61 -15.307 16.898 -0.404 1.00 32.41 ATOM 966 NE2 GLN 61 -15.716 18.550 1.024 1.00 2.34 ATOM 967 HE21 GLN 61 -16.296 19.300 1.251 1.00 21.13 ATOM 968 HE22 GLN 61 -14.947 18.277 1.565 1.00 73.01 ATOM 969 C GLN 61 -17.685 21.059 -3.562 1.00 65.54 ATOM 970 O GLN 61 -17.859 22.201 -3.145 1.00 71.35 ATOM 971 N LEU 62 -17.159 20.814 -4.771 1.00 60.33 ATOM 972 HN LEU 62 -16.980 19.887 -5.041 1.00 37.78 ATOM 973 CA LEU 62 -16.847 21.918 -5.699 1.00 62.54 ATOM 974 HA LEU 62 -16.112 22.549 -5.216 1.00 41.22 ATOM 975 CB LEU 62 -16.263 21.412 -7.034 1.00 62.34 ATOM 976 HB1 LEU 62 -16.327 22.218 -7.753 1.00 37.78 ATOM 977 HB2 LEU 62 -16.885 20.599 -7.386 1.00 11.32 ATOM 978 CG LEU 62 -14.801 20.924 -6.993 1.00 11.41 ATOM 979 HG LEU 62 -14.230 21.585 -6.356 1.00 74.30 ATOM 980 CD1 LEU 62 -14.700 19.525 -6.402 1.00 65.33 ATOM 981 HD11 LEU 62 -13.665 19.219 -6.370 1.00 25.24 ATOM 982 HD12 LEU 62 -15.263 18.832 -7.010 1.00 65.30 ATOM 983 HD13 LEU 62 -15.104 19.530 -5.399 1.00 11.02 ATOM 984 CD2 LEU 62 -14.176 20.968 -8.386 1.00 4.32 ATOM 985 HD21 LEU 62 -14.173 21.987 -8.745 1.00 42.11 ATOM 986 HD22 LEU 62 -14.749 20.349 -9.061 1.00 63.40 ATOM 987 HD23 LEU 62 -13.161 20.601 -8.338 1.00 4.10 ATOM 988 C LEU 62 -18.100 22.759 -5.979 1.00 35.33 ATOM 989 O LEU 62 -18.038 23.989 -6.038 1.00 23.12 ATOM 990 N ALA 63 -19.233 22.083 -6.150 1.00 34.42 ATOM 991 HN ALA 63 -19.205 21.103 -6.158 1.00 37.78 ATOM 992 CA ALA 63 -20.518 22.761 -6.338 1.00 10.33 ATOM 993 HA ALA 63 -20.429 23.404 -7.203 1.00 45.32 ATOM 994 CB ALA 63 -21.616 21.743 -6.618 1.00 42.11 ATOM 995 HB1 ALA 63 -22.544 22.260 -6.814 1.00 24.43 ATOM 996 HB2 ALA 63 -21.739 21.098 -5.759 1.00 22.31 ATOM 997 HB3 ALA 63 -21.348 21.148 -7.479 1.00 64.53 ATOM 998 C ALA 63 -20.883 23.619 -5.115 1.00 11.53 ATOM 999 O ALA 63 -21.323 24.759 -5.258 1.00 50.12 ATOM 1000 N LEU 64 -20.686 23.062 -3.916 1.00 63.43 ATOM 1001 HN LEU 64 -20.351 22.141 -3.871 1.00 37.78 ATOM 1002 CA LEU 64 -20.955 23.788 -2.666 1.00 71.43 ATOM 1003 HA LEU 64 -21.990 24.105 -2.687 1.00 73.11 ATOM 1004 CB LEU 64 -20.739 22.876 -1.449 1.00 54.22 ATOM 1005 HB1 LEU 64 -19.719 22.515 -1.473 1.00 37.78 ATOM 1006 HB2 LEU 64 -21.404 22.026 -1.536 1.00 13.44 ATOM 1007 CG LEU 64 -20.980 23.544 -0.083 1.00 52.32 ATOM 1008 HG LEU 64 -20.380 24.441 -0.022 1.00 21.32 ATOM 1009 CD1 LEU 64 -22.441 23.962 0.072 1.00 51.10 ATOM 1010 HD11 LEU 64 -23.080 23.093 -0.013 1.00 33.24 ATOM 1011 HD12 LEU 64 -22.694 24.672 -0.701 1.00 5.21 ATOM 1012 HD13 LEU 64 -22.584 24.420 1.040 1.00 51.43 ATOM 1013 CD2 LEU 64 -20.549 22.622 1.054 1.00 35.31 ATOM 1014 HD21 LEU 64 -21.119 21.705 1.014 1.00 24.04 ATOM 1015 HD22 LEU 64 -20.723 23.112 2.002 1.00 64.23 ATOM 1016 HD23 LEU 64 -19.497 22.398 0.955 1.00 70.43 ATOM 1017 C LEU 64 -20.062 25.032 -2.540 1.00 42.14 ATOM 1018 O LEU 64 -20.548 26.127 -2.277 1.00 33.02 ATOM 1019 N VAL 65 -18.754 24.851 -2.732 1.00 34.31 ATOM 1020 HN VAL 65 -18.424 23.949 -2.918 1.00 37.78 ATOM 1021 CA VAL 65 -17.795 25.963 -2.676 1.00 41.32 ATOM 1022 HA VAL 65 -17.816 26.367 -1.672 1.00 32.24 ATOM 1023 CB VAL 65 -16.353 25.471 -2.976 1.00 23.02 ATOM 1024 HB VAL 65 -16.343 25.038 -3.968 1.00 34.23 ATOM 1025 CG1 VAL 65 -15.360 26.633 -2.957 1.00 1.23 ATOM 1026 HG11 VAL 65 -15.353 27.089 -1.976 1.00 11.34 ATOM 1027 HG12 VAL 65 -15.653 27.369 -3.690 1.00 5.13 ATOM 1028 HG13 VAL 65 -14.369 26.269 -3.193 1.00 4.43 ATOM 1029 CG2 VAL 65 -15.939 24.384 -1.980 1.00 40.40 ATOM 1030 HG21 VAL 65 -16.646 23.567 -2.022 1.00 0.21 ATOM 1031 HG22 VAL 65 -15.924 24.793 -0.980 1.00 3.14 ATOM 1032 HG23 VAL 65 -14.953 24.017 -2.232 1.00 43.34 ATOM 1033 C VAL 65 -18.180 27.076 -3.668 1.00 74.23 ATOM 1034 O VAL 65 -18.185 28.261 -3.327 1.00 65.45 ATOM 1035 N ARG 66 -18.516 26.680 -4.896 1.00 35.32 ATOM 1036 HN ARG 66 -18.443 25.728 -5.124 1.00 37.78 ATOM 1037 CA ARG 66 -18.988 27.623 -5.915 1.00 15.01 ATOM 1038 HA ARG 66 -18.227 28.382 -6.038 1.00 24.11 ATOM 1039 CB ARG 66 -19.188 26.900 -7.255 1.00 64.51 ATOM 1040 HB1 ARG 66 -19.735 27.551 -7.925 1.00 37.78 ATOM 1041 HB2 ARG 66 -19.771 26.005 -7.083 1.00 11.11 ATOM 1042 CG ARG 66 -17.880 26.500 -7.936 1.00 32.20 ATOM 1043 HG1 ARG 66 -17.292 25.911 -7.244 1.00 37.78 ATOM 1044 HG2 ARG 66 -17.335 27.396 -8.197 1.00 60.33 ATOM 1045 CD ARG 66 -18.119 25.685 -9.203 1.00 14.32 ATOM 1046 HD1 ARG 66 -18.857 26.191 -9.810 1.00 37.78 ATOM 1047 HD2 ARG 66 -18.494 24.710 -8.923 1.00 0.21 ATOM 1048 NE ARG 66 -16.891 25.522 -9.985 1.00 43.41 ATOM 1049 HE ARG 66 -16.345 26.320 -10.131 1.00 22.21 ATOM 1050 CZ ARG 66 -16.491 24.399 -10.520 1.00 73.34 ATOM 1051 NH1 ARG 66 -17.167 23.308 -10.360 1.00 22.54 ATOM 1052 HH11 ARG 66 -18.005 23.315 -9.827 1.00 11.12 ATOM 1053 HH12 ARG 66 -16.848 22.459 -10.782 1.00 22.54 ATOM 1054 NH2 ARG 66 -15.408 24.379 -11.222 1.00 54.41 ATOM 1055 HH21 ARG 66 -14.886 25.218 -11.350 1.00 4.20 ATOM 1056 HH22 ARG 66 -15.098 23.525 -11.639 1.00 41.14 ATOM 1057 C ARG 66 -20.297 28.306 -5.486 1.00 25.15 ATOM 1058 O ARG 66 -20.504 29.493 -5.752 1.00 41.21 ATOM 1059 N ASP 67 -21.171 27.555 -4.818 1.00 44.11 ATOM 1060 HN ASP 67 -20.961 26.612 -4.653 1.00 37.78 ATOM 1061 CA ASP 67 -22.441 28.095 -4.326 1.00 51.23 ATOM 1062 HA ASP 67 -22.929 28.592 -5.153 1.00 32.44 ATOM 1063 CB ASP 67 -23.344 26.959 -3.832 1.00 43.01 ATOM 1064 HB1 ASP 67 -22.909 26.521 -2.944 1.00 37.78 ATOM 1065 HB2 ASP 67 -23.415 26.202 -4.601 1.00 32.43 ATOM 1066 CG ASP 67 -24.745 27.441 -3.499 1.00 21.41 ATOM 1067 OD1 ASP 67 -25.024 27.720 -2.313 1.00 73.12 ATOM 1068 OD2 ASP 67 -25.567 27.566 -4.428 1.00 63.22 ATOM 1069 C ASP 67 -22.207 29.120 -3.202 1.00 61.02 ATOM 1070 O ASP 67 -22.799 30.195 -3.205 1.00 53.14 ATOM 1071 N ILE 68 -21.333 28.784 -2.250 1.00 71.22 ATOM 1072 HN ILE 68 -20.917 27.899 -2.283 1.00 37.78 ATOM 1073 CA ILE 68 -20.977 29.700 -1.155 1.00 71.24 ATOM 1074 HA ILE 68 -21.865 29.861 -0.556 1.00 64.24 ATOM 1075 CB ILE 68 -19.877 29.086 -0.244 1.00 3.53 ATOM 1076 HB ILE 68 -19.020 28.853 -0.864 1.00 51.12 ATOM 1077 CG1 ILE 68 -20.385 27.785 0.407 1.00 35.30 ATOM 1078 HG11 ILE 68 -20.685 27.095 -0.369 1.00 37.78 ATOM 1079 HG12 ILE 68 -21.239 28.009 1.029 1.00 74.44 ATOM 1080 CG2 ILE 68 -19.427 30.089 0.821 1.00 45.30 ATOM 1081 HG21 ILE 68 -19.051 30.981 0.341 1.00 72.14 ATOM 1082 HG22 ILE 68 -18.645 29.650 1.423 1.00 44.54 ATOM 1083 HG23 ILE 68 -20.265 30.348 1.452 1.00 31.22 ATOM 1084 CD1 ILE 68 -19.359 27.086 1.277 1.00 43.05 ATOM 1085 HD11 ILE 68 -18.481 26.857 0.689 1.00 51.13 ATOM 1086 HD12 ILE 68 -19.783 26.169 1.661 1.00 32.23 ATOM 1087 HD13 ILE 68 -19.085 27.728 2.100 1.00 20.12 ATOM 1088 C ILE 68 -20.493 31.054 -1.705 1.00 40.24 ATOM 1089 O ILE 68 -20.941 32.118 -1.265 1.00 34.52 ATOM 1090 N ARG 69 -19.584 30.998 -2.677 1.00 63.52 ATOM 1091 HN ARG 69 -19.214 30.124 -2.930 1.00 37.78 ATOM 1092 CA ARG 69 -19.118 32.201 -3.376 1.00 74.40 ATOM 1093 HA ARG 69 -18.709 32.877 -2.639 1.00 2.40 ATOM 1094 CB ARG 69 -18.020 31.831 -4.385 1.00 63.20 ATOM 1095 HB1 ARG 69 -18.443 31.177 -5.135 1.00 37.78 ATOM 1096 HB2 ARG 69 -17.235 31.301 -3.864 1.00 60.34 ATOM 1097 CG ARG 69 -17.401 33.034 -5.089 1.00 15.21 ATOM 1098 HG1 ARG 69 -16.916 33.658 -4.351 1.00 37.78 ATOM 1099 HG2 ARG 69 -18.186 33.596 -5.574 1.00 21.45 ATOM 1100 CD ARG 69 -16.375 32.619 -6.138 1.00 61.04 ATOM 1101 HD1 ARG 69 -15.628 31.997 -5.664 1.00 37.78 ATOM 1102 HD2 ARG 69 -15.904 33.507 -6.532 1.00 31.24 ATOM 1103 NE ARG 69 -16.981 31.875 -7.244 1.00 52.41 ATOM 1104 HE ARG 69 -17.918 31.609 -7.155 1.00 31.41 ATOM 1105 CZ ARG 69 -16.348 31.542 -8.337 1.00 44.32 ATOM 1106 NH1 ARG 69 -15.118 31.902 -8.527 1.00 43.30 ATOM 1107 HH11 ARG 69 -14.644 32.446 -7.836 1.00 25.15 ATOM 1108 HH12 ARG 69 -14.647 31.628 -9.360 1.00 23.40 ATOM 1109 NH2 ARG 69 -16.958 30.862 -9.252 1.00 31.44 ATOM 1110 HH21 ARG 69 -17.911 30.596 -9.119 1.00 71.34 ATOM 1111 HH22 ARG 69 -16.479 30.611 -10.089 1.00 35.10 ATOM 1112 C ARG 69 -20.280 32.896 -4.107 1.00 40.13 ATOM 1113 O ARG 69 -20.396 34.123 -4.104 1.00 65.22 ATOM 1114 N ARG 70 -21.139 32.087 -4.721 1.00 24.32 ATOM 1115 HN ARG 70 -20.996 31.118 -4.660 1.00 37.78 ATOM 1116 CA ARG 70 -22.292 32.580 -5.481 1.00 31.14 ATOM 1117 HA ARG 70 -21.924 33.215 -6.275 1.00 13.21 ATOM 1118 CB ARG 70 -23.028 31.382 -6.097 1.00 25.24 ATOM 1119 HB1 ARG 70 -23.559 30.867 -5.308 1.00 37.78 ATOM 1120 HB2 ARG 70 -22.293 30.708 -6.513 1.00 60.11 ATOM 1121 CG ARG 70 -24.028 31.731 -7.197 1.00 43.25 ATOM 1122 HG1 ARG 70 -23.496 32.179 -8.025 1.00 37.78 ATOM 1123 HG2 ARG 70 -24.749 32.436 -6.808 1.00 24.10 ATOM 1124 CD ARG 70 -24.765 30.487 -7.694 1.00 0.42 ATOM 1125 HD1 ARG 70 -25.443 30.154 -6.919 1.00 37.78 ATOM 1126 HD2 ARG 70 -24.043 29.709 -7.896 1.00 3.24 ATOM 1127 NE ARG 70 -25.527 30.743 -8.914 1.00 55.13 ATOM 1128 HE ARG 70 -25.121 31.325 -9.589 1.00 11.03 ATOM 1129 CZ ARG 70 -26.690 30.216 -9.180 1.00 71.11 ATOM 1130 NH1 ARG 70 -27.290 29.458 -8.316 1.00 51.12 ATOM 1131 HH11 ARG 70 -26.863 29.269 -7.438 1.00 52.34 ATOM 1132 HH12 ARG 70 -28.184 29.069 -8.532 1.00 13.41 ATOM 1133 NH2 ARG 70 -27.254 30.454 -10.315 1.00 41.11 ATOM 1134 HH21 ARG 70 -26.798 31.037 -10.982 1.00 74.54 ATOM 1135 HH22 ARG 70 -28.143 30.050 -10.524 1.00 10.13 ATOM 1136 C ARG 70 -23.245 33.392 -4.584 1.00 20.34 ATOM 1137 O ARG 70 -23.705 34.466 -4.967 1.00 73.12 ATOM 1138 N ARG 71 -23.525 32.871 -3.385 1.00 3.12 ATOM 1139 HN ARG 71 -23.129 32.007 -3.140 1.00 37.78 ATOM 1140 CA ARG 71 -24.402 33.554 -2.422 1.00 63.23 ATOM 1141 HA ARG 71 -25.337 33.770 -2.921 1.00 22.34 ATOM 1142 CB ARG 71 -24.680 32.653 -1.204 1.00 1.05 ATOM 1143 HB1 ARG 71 -25.416 33.135 -0.575 1.00 37.78 ATOM 1144 HB2 ARG 71 -23.764 32.538 -0.643 1.00 70.50 ATOM 1145 CG ARG 71 -25.194 31.260 -1.559 1.00 52.40 ATOM 1146 HG1 ARG 71 -25.304 30.686 -0.649 1.00 37.78 ATOM 1147 HG2 ARG 71 -24.472 30.778 -2.199 1.00 65.44 ATOM 1148 CD ARG 71 -26.540 31.299 -2.281 1.00 5.21 ATOM 1149 HD1 ARG 71 -26.499 32.050 -3.059 1.00 37.78 ATOM 1150 HD2 ARG 71 -27.312 31.562 -1.570 1.00 71.12 ATOM 1151 NE ARG 71 -26.867 30.010 -2.882 1.00 44.22 ATOM 1152 HE ARG 71 -26.251 29.264 -2.714 1.00 60.31 ATOM 1153 CZ ARG 71 -27.894 29.794 -3.656 1.00 45.14 ATOM 1154 NH1 ARG 71 -28.775 30.721 -3.868 1.00 22.13 ATOM 1155 HH11 ARG 71 -28.680 31.607 -3.429 1.00 72.43 ATOM 1156 HH12 ARG 71 -29.535 30.551 -4.491 1.00 70.14 ATOM 1157 NH2 ARG 71 -28.044 28.636 -4.205 1.00 11.23 ATOM 1158 HH21 ARG 71 -27.368 27.916 -4.032 1.00 71.21 ATOM 1159 HH22 ARG 71 -28.827 28.455 -4.796 1.00 43.31 ATOM 1160 C ARG 71 -23.773 34.874 -1.953 1.00 51.30 ATOM 1161 O ARG 71 -24.433 35.914 -1.924 1.00 21.12 ATOM 1162 N GLY 72 -22.488 34.819 -1.603 1.00 61.14 ATOM 1163 HN GLY 72 -22.017 33.959 -1.645 1.00 37.78 ATOM 1164 CA GLY 72 -21.776 36.007 -1.146 1.00 1.34 ATOM 1165 HA1 GLY 72 -20.775 35.720 -0.857 1.00 37.78 ATOM 1166 HA2 GLY 72 -22.284 36.402 -0.278 1.00 55.22 ATOM 1167 C GLY 72 -21.685 37.107 -2.203 1.00 53.05 ATOM 1168 O GLY 72 -21.826 38.290 -1.892 1.00 34.11 ATOM 1169 N LYS 73 -21.448 36.723 -3.458 1.00 52.21 ATOM 1170 HN LYS 73 -21.344 35.766 -3.654 1.00 37.78 ATOM 1171 CA LYS 73 -21.325 37.697 -4.552 1.00 74.15 ATOM 1172 HA LYS 73 -20.883 38.593 -4.138 1.00 3.22 ATOM 1173 CB LYS 73 -20.393 37.162 -5.648 1.00 51.24 ATOM 1174 HB1 LYS 73 -20.478 37.797 -6.521 1.00 37.78 ATOM 1175 HB2 LYS 73 -20.709 36.163 -5.911 1.00 44.42 ATOM 1176 CG LYS 73 -18.921 37.105 -5.238 1.00 34.13 ATOM 1177 HG1 LYS 73 -18.819 36.429 -4.400 1.00 37.78 ATOM 1178 HG2 LYS 73 -18.601 38.095 -4.943 1.00 4.52 ATOM 1179 CD LYS 73 -18.034 36.617 -6.382 1.00 13.01 ATOM 1180 HD1 LYS 73 -18.190 37.250 -7.245 1.00 37.78 ATOM 1181 HD2 LYS 73 -18.310 35.601 -6.628 1.00 31.24 ATOM 1182 CE LYS 73 -16.556 36.644 -6.010 1.00 25.22 ATOM 1183 HE1 LYS 73 -15.987 36.193 -6.809 1.00 37.78 ATOM 1184 HE2 LYS 73 -16.416 36.070 -5.105 1.00 33.10 ATOM 1185 NZ LYS 73 -16.058 38.027 -5.783 1.00 14.21 ATOM 1186 HZ1 LYS 73 -16.586 38.482 -5.010 1.00 14.43 ATOM 1187 HZ2 LYS 73 -16.167 38.600 -6.646 1.00 25.34 ATOM 1188 HZ3 LYS 73 -15.051 38.005 -5.528 1.00 4.25 ATOM 1189 C LYS 73 -22.689 38.076 -5.157 1.00 51.41 ATOM 1190 O LYS 73 -22.796 39.070 -5.874 1.00 3.10 ATOM 1191 N ASN 74 -23.728 37.291 -4.865 1.00 2.25 ATOM 1192 HN ASN 74 -23.583 36.491 -4.318 1.00 37.78 ATOM 1193 CA ASN 74 -25.082 37.591 -5.358 1.00 61.51 ATOM 1194 HA ASN 74 -25.041 37.601 -6.439 1.00 74.03 ATOM 1195 CB ASN 74 -26.077 36.510 -4.909 1.00 32.02 ATOM 1196 HB1 ASN 74 -26.236 36.587 -3.841 1.00 37.78 ATOM 1197 HB2 ASN 74 -25.668 35.535 -5.135 1.00 71.00 ATOM 1198 CG ASN 74 -27.420 36.635 -5.606 1.00 75.30 ATOM 1199 OD1 ASN 74 -27.502 37.043 -6.761 1.00 43.53 ATOM 1200 ND2 ASN 74 -28.486 36.294 -4.915 1.00 24.04 ATOM 1201 HD21 ASN 74 -28.362 35.985 -3.996 1.00 44.11 ATOM 1202 HD22 ASN 74 -29.360 36.359 -5.353 1.00 21.41 ATOM 1203 C ASN 74 -25.547 38.976 -4.872 1.00 24.12 ATOM 1204 O ASN 74 -26.286 39.678 -5.565 1.00 13.21 ATOM 1205 N LYS 75 -25.097 39.365 -3.681 1.00 12.21 ATOM 1206 HN LYS 75 -24.560 38.741 -3.151 1.00 37.78 ATOM 1207 CA LYS 75 -25.381 40.699 -3.143 1.00 43.33 ATOM 1208 HA LYS 75 -26.456 40.823 -3.126 1.00 61.22 ATOM 1209 CB LYS 75 -24.848 40.810 -1.705 1.00 52.45 ATOM 1210 HB1 LYS 75 -23.790 40.581 -1.704 1.00 37.78 ATOM 1211 HB2 LYS 75 -25.362 40.083 -1.092 1.00 5.11 ATOM 1212 CG LYS 75 -25.043 42.188 -1.072 1.00 33.13 ATOM 1213 HG1 LYS 75 -26.039 42.541 -1.301 1.00 37.78 ATOM 1214 HG2 LYS 75 -24.317 42.872 -1.491 1.00 10.20 ATOM 1215 CD LYS 75 -24.870 42.151 0.448 1.00 33.02 ATOM 1216 HD1 LYS 75 -25.649 41.530 0.872 1.00 37.78 ATOM 1217 HD2 LYS 75 -24.967 43.156 0.833 1.00 21.32 ATOM 1218 CE LYS 75 -23.512 41.596 0.871 1.00 73.54 ATOM 1219 HE1 LYS 75 -23.400 40.601 0.462 1.00 37.78 ATOM 1220 HE2 LYS 75 -23.480 41.543 1.949 1.00 54.14 ATOM 1221 NZ LYS 75 -22.385 42.441 0.397 1.00 44.41 ATOM 1222 HZ1 LYS 75 -22.502 43.418 0.730 1.00 71.42 ATOM 1223 HZ2 LYS 75 -22.346 42.444 -0.644 1.00 15.20 ATOM 1224 HZ3 LYS 75 -21.485 42.070 0.761 1.00 43.31 ATOM 1225 C LYS 75 -24.779 41.788 -4.050 1.00 13.22 ATOM 1226 O LYS 75 -25.394 42.828 -4.290 1.00 54.54 ATOM 1227 N VAL 76 -23.580 41.527 -4.570 1.00 0.35 ATOM 1228 HN VAL 76 -23.104 40.721 -4.283 1.00 37.78 ATOM 1229 CA VAL 76 -22.956 42.412 -5.560 1.00 41.33 ATOM 1230 HA VAL 76 -22.966 43.417 -5.162 1.00 3.41 ATOM 1231 CB VAL 76 -21.484 42.007 -5.839 1.00 4.32 ATOM 1232 HB VAL 76 -21.483 41.012 -6.267 1.00 53.30 ATOM 1233 CG1 VAL 76 -20.829 42.954 -6.845 1.00 13.24 ATOM 1234 HG11 VAL 76 -19.804 42.653 -7.010 1.00 62.22 ATOM 1235 HG12 VAL 76 -20.849 43.961 -6.457 1.00 24.24 ATOM 1236 HG13 VAL 76 -21.369 42.920 -7.781 1.00 35.42 ATOM 1237 CG2 VAL 76 -20.683 41.961 -4.543 1.00 50.42 ATOM 1238 HG21 VAL 76 -21.142 41.260 -3.859 1.00 32.31 ATOM 1239 HG22 VAL 76 -20.666 42.943 -4.092 1.00 24.55 ATOM 1240 HG23 VAL 76 -19.672 41.647 -4.756 1.00 22.02 ATOM 1241 C VAL 76 -23.745 42.388 -6.877 1.00 32.34 ATOM 1242 O VAL 76 -23.980 43.429 -7.493 1.00 4.13 ATOM 1243 N ALA 77 -24.164 41.190 -7.292 1.00 51.42 ATOM 1244 HN ALA 77 -23.913 40.395 -6.774 1.00 37.78 ATOM 1245 CA ALA 77 -24.979 41.020 -8.500 1.00 11.13 ATOM 1246 HA ALA 77 -24.395 41.364 -9.342 1.00 31.23 ATOM 1247 CB ALA 77 -25.297 39.545 -8.715 1.00 13.22 ATOM 1248 HB1 ALA 77 -25.835 39.421 -9.644 1.00 65.53 ATOM 1249 HB2 ALA 77 -25.904 39.185 -7.896 1.00 61.22 ATOM 1250 HB3 ALA 77 -24.377 38.980 -8.755 1.00 20.44 ATOM 1251 C ALA 77 -26.275 41.846 -8.427 1.00 25.13 ATOM 1252 O ALA 77 -26.777 42.326 -9.444 1.00 34.51 ATOM 1253 N ALA 78 -26.812 41.997 -7.216 1.00 44.10 ATOM 1254 HN ALA 78 -26.413 41.518 -6.458 1.00 37.78 ATOM 1255 CA ALA 78 -27.990 42.840 -6.983 1.00 11.11 ATOM 1256 HA ALA 78 -28.743 42.569 -7.713 1.00 73.12 ATOM 1257 CB ALA 78 -28.558 42.572 -5.593 1.00 24.15 ATOM 1258 HB1 ALA 78 -29.452 43.163 -5.445 1.00 62.53 ATOM 1259 HB2 ALA 78 -27.824 42.836 -4.845 1.00 72.44 ATOM 1260 HB3 ALA 78 -28.803 41.523 -5.499 1.00 3.31 ATOM 1261 C ALA 78 -27.649 44.331 -7.145 1.00 54.43 ATOM 1262 O ALA 78 -28.450 45.113 -7.662 1.00 72.41 ATOM 1263 N GLN 79 -26.450 44.715 -6.710 1.00 25.11 ATOM 1264 HN GLN 79 -25.861 44.050 -6.297 1.00 37.78 ATOM 1265 CA GLN 79 -25.987 46.102 -6.829 1.00 3.45 ATOM 1266 HA GLN 79 -26.770 46.740 -6.441 1.00 31.50 ATOM 1267 CB GLN 79 -24.721 46.320 -5.988 1.00 51.15 ATOM 1268 HB1 GLN 79 -24.313 47.295 -6.218 1.00 37.78 ATOM 1269 HB2 GLN 79 -23.993 45.565 -6.253 1.00 22.54 ATOM 1270 CG GLN 79 -24.962 46.244 -4.484 1.00 35.15 ATOM 1271 HG1 GLN 79 -24.021 46.394 -3.971 1.00 37.78 ATOM 1272 HG2 GLN 79 -25.346 45.263 -4.243 1.00 43.42 ATOM 1273 CD GLN 79 -25.954 47.289 -3.991 1.00 43.13 ATOM 1274 OE1 GLN 79 -26.085 48.368 -4.567 1.00 43.43 ATOM 1275 NE2 GLN 79 -26.648 46.987 -2.913 1.00 71.22 ATOM 1276 HE21 GLN 79 -26.493 46.116 -2.492 1.00 72.22 ATOM 1277 HE22 GLN 79 -27.287 47.648 -2.578 1.00 15.32 ATOM 1278 C GLN 79 -25.729 46.497 -8.291 1.00 35.20 ATOM 1279 O GLN 79 -25.986 47.635 -8.688 1.00 23.13 ATOM 1280 N ASN 80 -25.215 45.564 -9.090 1.00 63.21 ATOM 1281 HN ASN 80 -24.961 44.694 -8.708 1.00 37.78 ATOM 1282 CA ASN 80 -25.007 45.808 -10.525 1.00 71.34 ATOM 1283 HA ASN 80 -25.118 46.871 -10.695 1.00 42.12 ATOM 1284 CB ASN 80 -23.584 45.394 -10.937 1.00 64.01 ATOM 1285 HB1 ASN 80 -22.874 46.014 -10.407 1.00 37.78 ATOM 1286 HB2 ASN 80 -23.464 45.555 -12.000 1.00 32.20 ATOM 1287 CG ASN 80 -23.266 43.940 -10.636 1.00 0.12 ATOM 1288 OD1 ASN 80 -24.127 43.074 -10.686 1.00 55.03 ATOM 1289 ND2 ASN 80 -22.019 43.660 -10.330 1.00 52.14 ATOM 1290 HD21 ASN 80 -21.370 44.394 -10.314 1.00 45.24 ATOM 1291 HD22 ASN 80 -21.792 42.731 -10.138 1.00 40.14 ATOM 1292 C ASN 80 -26.071 45.079 -11.368 1.00 35.05 ATOM 1293 O ASN 80 -25.831 44.705 -12.518 1.00 75.11 ATOM 1294 N TYR 81 -27.258 44.910 -10.784 1.00 11.31 ATOM 1295 HN TYR 81 -27.387 45.256 -9.876 1.00 37.78 ATOM 1296 CA TYR 81 -28.376 44.223 -11.442 1.00 71.35 ATOM 1297 HA TYR 81 -28.040 43.234 -11.722 1.00 54.42 ATOM 1298 CB TYR 81 -29.545 44.089 -10.450 1.00 63.33 ATOM 1299 HB1 TYR 81 -29.979 45.066 -10.287 1.00 37.78 ATOM 1300 HB2 TYR 81 -29.162 43.717 -9.510 1.00 32.53 ATOM 1301 CG TYR 81 -30.656 43.150 -10.890 1.00 33.13 ATOM 1302 CD1 TYR 81 -30.428 41.783 -11.024 1.00 0.32 ATOM 1303 HD1 TYR 81 -29.439 41.393 -10.827 1.00 34.23 ATOM 1304 CD2 TYR 81 -31.938 43.626 -11.150 1.00 62.42 ATOM 1305 HD2 TYR 81 -32.134 44.686 -11.054 1.00 22.04 ATOM 1306 CE1 TYR 81 -31.441 40.921 -11.400 1.00 33.23 ATOM 1307 HE1 TYR 81 -31.242 39.864 -11.497 1.00 2.11 ATOM 1308 CE2 TYR 81 -32.956 42.770 -11.531 1.00 12.42 ATOM 1309 HE2 TYR 81 -33.943 43.161 -11.731 1.00 32.11 ATOM 1310 CZ TYR 81 -32.703 41.419 -11.655 1.00 31.53 ATOM 1311 OH TYR 81 -33.717 40.561 -12.026 1.00 41.54 ATOM 1312 HH TYR 81 -33.695 39.779 -11.461 1.00 32.22 ATOM 1313 C TYR 81 -28.822 44.973 -12.708 1.00 31.41 ATOM 1314 O TYR 81 -29.033 46.188 -12.682 1.00 34.43 ATOM 1315 N ARG 82 -28.950 44.234 -13.811 1.00 43.15 ATOM 1316 HN ARG 82 -28.760 43.275 -13.754 1.00 37.78 ATOM 1317 CA ARG 82 -29.337 44.799 -15.113 1.00 64.32 ATOM 1318 HA ARG 82 -29.454 43.969 -15.793 1.00 51.31 ATOM 1319 CB ARG 82 -30.676 45.546 -15.022 1.00 33.15 ATOM 1320 HB1 ARG 82 -30.920 45.949 -15.995 1.00 37.78 ATOM 1321 HB2 ARG 82 -30.572 46.362 -14.321 1.00 25.22 ATOM 1322 CG ARG 82 -31.834 44.666 -14.565 1.00 74.31 ATOM 1323 HG1 ARG 82 -31.585 44.233 -13.607 1.00 37.78 ATOM 1324 HG2 ARG 82 -31.980 43.875 -15.288 1.00 23.04 ATOM 1325 CD ARG 82 -33.126 45.459 -14.430 1.00 2.42 ATOM 1326 HD1 ARG 82 -33.905 44.794 -14.087 1.00 37.78 ATOM 1327 HD2 ARG 82 -33.394 45.854 -15.400 1.00 73.44 ATOM 1328 NE ARG 82 -33.003 46.569 -13.483 1.00 40.31 ATOM 1329 HE ARG 82 -32.223 46.579 -12.889 1.00 20.42 ATOM 1330 CZ ARG 82 -33.871 47.541 -13.383 1.00 44.43 ATOM 1331 NH1 ARG 82 -34.901 47.588 -14.166 1.00 53.25 ATOM 1332 HH11 ARG 82 -35.037 46.882 -14.861 1.00 41.13 ATOM 1333 HH12 ARG 82 -35.564 48.328 -14.067 1.00 1.11 ATOM 1334 NH2 ARG 82 -33.696 48.479 -12.510 1.00 14.44 ATOM 1335 HH21 ARG 82 -32.893 48.464 -11.914 1.00 3.12 ATOM 1336 HH22 ARG 82 -34.367 49.217 -12.436 1.00 13.54 ATOM 1337 C ARG 82 -28.242 45.719 -15.675 1.00 21.34 ATOM 1338 O ARG 82 -28.434 46.932 -15.822 1.00 24.44 ATOM 1339 N LYS 83 -27.090 45.123 -15.970 1.00 11.31 ATOM 1340 HN LYS 83 -26.991 44.170 -15.754 1.00 37.78 ATOM 1341 CA LYS 83 -25.959 45.825 -16.598 1.00 4.11 ATOM 1342 HA LYS 83 -25.671 46.649 -15.960 1.00 43.13 ATOM 1343 CB LYS 83 -24.781 44.847 -16.729 1.00 64.24 ATOM 1344 HB1 LYS 83 -24.477 44.531 -15.741 1.00 37.78 ATOM 1345 HB2 LYS 83 -23.953 45.353 -17.208 1.00 31.51 ATOM 1346 CG LYS 83 -25.131 43.604 -17.547 1.00 43.21 ATOM 1347 HG1 LYS 83 -25.280 43.898 -18.578 1.00 37.78 ATOM 1348 HG2 LYS 83 -26.048 43.183 -17.160 1.00 52.25 ATOM 1349 CD LYS 83 -24.042 42.537 -17.488 1.00 51.32 ATOM 1350 HD1 LYS 83 -23.865 42.271 -16.455 1.00 37.78 ATOM 1351 HD2 LYS 83 -23.134 42.934 -17.919 1.00 13.01 ATOM 1352 CE LYS 83 -24.451 41.285 -18.258 1.00 10.42 ATOM 1353 HE1 LYS 83 -24.584 41.543 -19.299 1.00 37.78 ATOM 1354 HE2 LYS 83 -25.387 40.922 -17.857 1.00 32.22 ATOM 1355 NZ LYS 83 -23.434 40.206 -18.153 1.00 41.00 ATOM 1356 HZ1 LYS 83 -22.520 40.537 -18.518 1.00 73.14 ATOM 1357 HZ2 LYS 83 -23.733 39.376 -18.706 1.00 1.15 ATOM 1358 HZ3 LYS 83 -23.317 39.920 -17.160 1.00 31.01 ATOM 1359 C LYS 83 -26.344 46.368 -17.986 1.00 13.55 ATOM 1360 O LYS 83 -27.387 46.004 -18.534 1.00 14.23 ATOM 1361 N ARG 84 -25.508 47.237 -18.560 1.00 3.52 ATOM 1362 HN ARG 84 -24.718 47.544 -18.068 1.00 37.78 ATOM 1363 CA ARG 84 -25.764 47.749 -19.913 1.00 71.54 ATOM 1364 HA ARG 84 -26.783 48.119 -19.921 1.00 21.42 ATOM 1365 CB ARG 84 -24.827 48.917 -20.262 1.00 41.14 ATOM 1366 HB1 ARG 84 -25.112 49.773 -19.663 1.00 37.78 ATOM 1367 HB2 ARG 84 -24.961 49.168 -21.305 1.00 23.14 ATOM 1368 CG ARG 84 -23.341 48.651 -20.029 1.00 1.41 ATOM 1369 HG1 ARG 84 -23.061 47.736 -20.534 1.00 37.78 ATOM 1370 HG2 ARG 84 -23.167 48.545 -18.968 1.00 63.33 ATOM 1371 CD ARG 84 -22.481 49.797 -20.561 1.00 23.14 ATOM 1372 HD1 ARG 84 -22.405 49.705 -21.636 1.00 37.78 ATOM 1373 HD2 ARG 84 -21.494 49.727 -20.125 1.00 15.32 ATOM 1374 NE ARG 84 -23.058 51.106 -20.237 1.00 65.35 ATOM 1375 HE ARG 84 -23.809 51.410 -20.785 1.00 24.33 ATOM 1376 CZ ARG 84 -22.651 51.878 -19.265 1.00 32.01 ATOM 1377 NH1 ARG 84 -21.648 51.537 -18.524 1.00 31.21 ATOM 1378 HH11 ARG 84 -21.168 50.677 -18.692 1.00 55.11 ATOM 1379 HH12 ARG 84 -21.365 52.127 -17.774 1.00 52.13 ATOM 1380 NH2 ARG 84 -23.254 52.996 -19.035 1.00 65.20 ATOM 1381 HH21 ARG 84 -24.034 53.270 -19.596 1.00 72.44 ATOM 1382 HH22 ARG 84 -22.939 53.590 -18.296 1.00 24.44 ATOM 1383 C ARG 84 -25.660 46.631 -20.964 1.00 43.02 ATOM 1384 O ARG 84 -24.572 46.151 -21.287 1.00 71.24 ATOM 1385 N LYS 85 -26.811 46.212 -21.475 1.00 22.33 ATOM 1386 HN LYS 85 -27.640 46.652 -21.185 1.00 37.78 ATOM 1387 CA LYS 85 -26.890 45.120 -22.452 1.00 13.42 ATOM 1388 HA LYS 85 -26.182 44.362 -22.148 1.00 33.32 ATOM 1389 CB LYS 85 -28.302 44.507 -22.427 1.00 32.13 ATOM 1390 HB1 LYS 85 -28.440 44.004 -21.479 1.00 37.78 ATOM 1391 HB2 LYS 85 -28.380 43.778 -23.222 1.00 35.54 ATOM 1392 CG LYS 85 -29.435 45.523 -22.600 1.00 4.15 ATOM 1393 HG1 LYS 85 -29.572 45.719 -23.656 1.00 37.78 ATOM 1394 HG2 LYS 85 -29.164 46.440 -22.098 1.00 54.21 ATOM 1395 CD LYS 85 -30.755 45.016 -22.013 1.00 72.21 ATOM 1396 HD1 LYS 85 -31.478 45.820 -22.046 1.00 37.78 ATOM 1397 HD2 LYS 85 -30.591 44.727 -20.986 1.00 21.13 ATOM 1398 CE LYS 85 -31.314 43.820 -22.775 1.00 1.12 ATOM 1399 HE1 LYS 85 -32.142 43.409 -22.216 1.00 37.78 ATOM 1400 HE2 LYS 85 -30.540 43.073 -22.871 1.00 13.52 ATOM 1401 NZ LYS 85 -31.789 44.200 -24.129 1.00 63.12 ATOM 1402 HZ1 LYS 85 -32.528 44.930 -24.056 1.00 13.44 ATOM 1403 HZ2 LYS 85 -32.187 43.374 -24.618 1.00 62.42 ATOM 1404 HZ3 LYS 85 -31.002 44.576 -24.692 1.00 61.22 ATOM 1405 C LYS 85 -26.510 45.593 -23.866 1.00 51.45 ATOM 1406 O LYS 85 -26.842 46.707 -24.277 1.00 73.21 ATOM 1407 N LEU 86 -25.786 44.743 -24.596 1.00 23.23 ATOM 1408 HN LEU 86 -25.556 43.871 -24.216 1.00 37.78 ATOM 1409 CA LEU 86 -25.315 45.076 -25.945 1.00 64.02 ATOM 1410 HA LEU 86 -25.255 46.154 -26.019 1.00 32.52 ATOM 1411 CB LEU 86 -23.912 44.487 -26.173 1.00 24.42 ATOM 1412 HB1 LEU 86 -23.586 44.766 -27.165 1.00 37.78 ATOM 1413 HB2 LEU 86 -23.986 43.408 -26.129 1.00 44.51 ATOM 1414 CG LEU 86 -22.838 44.940 -25.167 1.00 42.35 ATOM 1415 HG LEU 86 -23.132 44.621 -24.175 1.00 23.02 ATOM 1416 CD1 LEU 86 -21.488 44.294 -25.479 1.00 64.04 ATOM 1417 HD11 LEU 86 -20.756 44.616 -24.751 1.00 0.03 ATOM 1418 HD12 LEU 86 -21.164 44.588 -26.467 1.00 53.21 ATOM 1419 HD13 LEU 86 -21.585 43.219 -25.439 1.00 34.44 ATOM 1420 CD2 LEU 86 -22.722 46.463 -25.152 1.00 54.02 ATOM 1421 HD21 LEU 86 -23.673 46.895 -24.876 1.00 12.55 ATOM 1422 HD22 LEU 86 -22.439 46.816 -26.134 1.00 45.10 ATOM 1423 HD23 LEU 86 -21.971 46.761 -24.434 1.00 12.30 ATOM 1424 C LEU 86 -26.281 44.562 -27.024 1.00 44.20 ATOM 1425 O LEU 86 -26.326 43.363 -27.317 1.00 64.14 ATOM 1426 N GLU 87 -27.049 45.476 -27.612 1.00 14.24 ATOM 1427 HN GLU 87 -26.969 46.413 -27.332 1.00 37.78 ATOM 1428 CA GLU 87 -28.018 45.129 -28.656 1.00 51.22 ATOM 1429 HA GLU 87 -28.442 44.165 -28.410 1.00 31.24 ATOM 1430 CB GLU 87 -29.145 46.172 -28.688 1.00 34.43 ATOM 1431 HB1 GLU 87 -29.879 45.872 -29.424 1.00 37.78 ATOM 1432 HB2 GLU 87 -28.727 47.125 -28.983 1.00 52.22 ATOM 1433 CG GLU 87 -29.858 46.360 -27.351 1.00 34.24 ATOM 1434 HG1 GLU 87 -30.612 47.128 -27.466 1.00 37.78 ATOM 1435 HG2 GLU 87 -29.133 46.682 -26.615 1.00 60.10 ATOM 1436 CD GLU 87 -30.527 45.091 -26.850 1.00 24.51 ATOM 1437 OE1 GLU 87 -29.918 44.364 -26.037 1.00 21.55 ATOM 1438 OE2 GLU 87 -31.674 44.811 -27.260 1.00 51.41 ATOM 1439 C GLU 87 -27.349 45.041 -30.038 1.00 74.24 ATOM 1440 O GLU 87 -26.570 45.915 -30.419 1.00 12.10 ATOM 1441 N THR 88 -27.649 43.979 -30.780 1.00 13.10 ATOM 1442 HN THR 88 -28.239 43.294 -30.407 1.00 37.78 ATOM 1443 CA THR 88 -27.115 43.804 -32.140 1.00 24.23 ATOM 1444 HA THR 88 -26.123 44.236 -32.171 1.00 72.34 ATOM 1445 CB THR 88 -27.001 42.305 -32.523 1.00 25.41 ATOM 1446 HB THR 88 -27.990 41.864 -32.492 1.00 21.01 ATOM 1447 OG1 THR 88 -26.157 41.611 -31.586 1.00 53.41 ATOM 1448 HG1 THR 88 -25.287 41.472 -31.986 1.00 50.25 ATOM 1449 CG2 THR 88 -26.436 42.134 -33.934 1.00 11.02 ATOM 1450 HG21 THR 88 -25.437 42.544 -33.977 1.00 43.35 ATOM 1451 HG22 THR 88 -27.066 42.652 -34.642 1.00 55.43 ATOM 1452 HG23 THR 88 -26.405 41.083 -34.185 1.00 41.12 ATOM 1453 C THR 88 -28.001 44.507 -33.175 1.00 75.05 ATOM 1454 O THR 88 -29.215 44.292 -33.208 1.00 14.22 ATOM 1455 N ILE 89 -27.394 45.341 -34.020 1.00 62.51 ATOM 1456 HN ILE 89 -26.424 45.478 -33.942 1.00 37.78 ATOM 1457 CA ILE 89 -28.135 46.057 -35.066 1.00 10.44 ATOM 1458 HA ILE 89 -28.953 46.582 -34.587 1.00 51.20 ATOM 1459 CB ILE 89 -27.241 47.107 -35.775 1.00 75.41 ATOM 1460 HB ILE 89 -26.396 46.592 -36.207 1.00 74.42 ATOM 1461 CG1 ILE 89 -26.724 48.144 -34.761 1.00 73.11 ATOM 1462 HG11 ILE 89 -26.077 48.843 -35.270 1.00 37.78 ATOM 1463 HG12 ILE 89 -26.159 47.635 -33.994 1.00 23.41 ATOM 1464 CG2 ILE 89 -28.001 47.797 -36.909 1.00 33.44 ATOM 1465 HG21 ILE 89 -28.893 48.264 -36.517 1.00 32.53 ATOM 1466 HG22 ILE 89 -28.276 47.068 -37.659 1.00 10.13 ATOM 1467 HG23 ILE 89 -27.370 48.551 -37.359 1.00 13.14 ATOM 1468 CD1 ILE 89 -27.817 48.940 -34.075 1.00 32.41 ATOM 1469 HD11 ILE 89 -28.452 48.271 -33.512 1.00 31.12 ATOM 1470 HD12 ILE 89 -28.406 49.456 -34.819 1.00 54.31 ATOM 1471 HD13 ILE 89 -27.371 49.661 -33.406 1.00 35.24 ATOM 1472 C ILE 89 -28.722 45.078 -36.100 1.00 44.50 ATOM 1473 O ILE 89 -28.023 44.590 -36.994 1.00 45.51 ATOM 1474 N VAL 90 -30.013 44.796 -35.954 1.00 11.31 ATOM 1475 HN VAL 90 -30.519 45.270 -35.263 1.00 37.78 ATOM 1476 CA VAL 90 -30.707 43.803 -36.781 1.00 35.23 ATOM 1477 HA VAL 90 -29.962 43.184 -37.262 1.00 4.23 ATOM 1478 CB VAL 90 -31.587 42.893 -35.882 1.00 62.03 ATOM 1479 HB VAL 90 -30.946 42.452 -35.127 1.00 52.34 ATOM 1480 CG1 VAL 90 -32.653 43.715 -35.162 1.00 5.44 ATOM 1481 HG11 VAL 90 -33.248 43.066 -34.533 1.00 61.43 ATOM 1482 HG12 VAL 90 -33.292 44.196 -35.889 1.00 54.53 ATOM 1483 HG13 VAL 90 -32.175 44.467 -34.550 1.00 1.45 ATOM 1484 CG2 VAL 90 -32.220 41.754 -36.681 1.00 1.22 ATOM 1485 HG21 VAL 90 -32.794 41.123 -36.019 1.00 32.42 ATOM 1486 HG22 VAL 90 -31.443 41.168 -37.151 1.00 25.12 ATOM 1487 HG23 VAL 90 -32.870 42.163 -37.441 1.00 11.50 ATOM 1488 C VAL 90 -31.584 44.464 -37.862 1.00 3.12 ATOM 1489 O VAL 90 -31.950 45.638 -37.756 1.00 44.23 ATOM 1490 N GLN 91 -31.903 43.704 -38.909 1.00 30.51 ATOM 1491 HN GLN 91 -31.518 42.806 -38.974 1.00 37.78 ATOM 1492 HA GLN 91 -32.509 45.177 -40.224 1.00 73.04 ATOM 1493 CB GLN 91 -32.664 43.283 -41.216 1.00 1.21 ATOM 1494 HB1 GLN 91 -31.706 43.491 -41.673 1.00 37.78 ATOM 1495 HB2 GLN 91 -33.446 43.539 -41.917 1.00 63.21 ATOM 1496 CG GLN 91 -32.744 41.785 -40.934 1.00 75.15 ATOM 1497 HG1 GLN 91 -33.678 41.574 -40.434 1.00 37.78 ATOM 1498 HG2 GLN 91 -31.923 41.509 -40.286 1.00 21.21 ATOM 1499 CD GLN 91 -32.666 40.944 -42.193 1.00 72.21 ATOM 1500 OE1 GLN 91 -31.589 40.546 -42.625 1.00 13.10 ATOM 1501 NE2 GLN 91 -33.806 40.672 -42.797 1.00 61.31 ATOM 1502 HE21 GLN 91 -34.633 41.023 -42.408 1.00 10.32 ATOM 1503 HE22 GLN 91 -33.778 40.121 -43.608 1.00 24.14 ATOM 1504 CA GLN 91 -32.811 44.169 -39.966 1.00 72.32 ATOM 1505 C GLN 91 -34.282 44.212 -39.482 1.00 71.43 ATOM 1506 OT1 GLN 91 -34.893 43.135 -39.279 1.00 37.78 ATOM 1507 OT2 GLN 91 -34.817 45.329 -39.306 1.00 37.78 ATOM 1508 OH2 TIP3 1 -24.118 11.008 -3.969 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -23.256 10.532 -3.972 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -24.703 10.439 -4.476 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -24.761 17.165 -4.437 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -23.940 17.674 -4.355 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -24.484 16.334 -4.900 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -27.425 16.708 -4.130 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.781 16.817 -5.020 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -26.473 16.955 -4.220 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -30.838 36.158 -40.616 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -30.681 35.248 -40.890 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.026 36.633 -41.461 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -34.630 32.915 -7.634 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -34.572 31.980 -7.918 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -34.644 32.867 -6.656 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -32.344 33.632 -9.029 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -33.147 33.510 -8.476 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -32.149 32.742 -9.366 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -26.286 22.844 -8.433 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -25.546 22.824 -7.821 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -25.871 22.752 -9.314 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.682 25.754 -3.343 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -29.351 25.048 -3.383 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.722 26.068 -2.418 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -35.855 33.772 -10.067 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -35.291 33.202 -10.599 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -35.594 33.579 -9.145 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -31.992 30.086 -7.331 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -32.232 29.906 -6.389 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -32.853 30.215 -7.777 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -32.176 30.959 -10.656 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -31.288 31.123 -10.255 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -31.986 30.789 -11.585 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -34.180 30.496 -8.878 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -33.508 30.626 -9.591 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -34.826 29.896 -9.269 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -29.532 21.857 -2.408 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -30.010 21.020 -2.257 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -28.634 21.684 -2.046 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -32.842 27.401 -3.368 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -33.797 27.279 -3.205 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -32.556 26.542 -3.758 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -26.316 29.709 -13.362 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -27.220 29.388 -13.531 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -25.794 28.885 -13.225 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -32.494 31.770 -2.924 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -32.864 31.335 -2.122 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -31.659 32.176 -2.609 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -33.884 33.825 -13.408 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -33.361 33.081 -13.714 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -34.369 34.124 -14.217 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -33.910 36.285 -12.230 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -33.931 35.401 -12.669 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -34.808 36.375 -11.835 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -27.220 24.455 1.346 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -26.599 23.702 1.234 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -27.935 24.091 1.911 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -32.387 25.023 -4.583 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -32.258 25.277 -5.523 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -31.621 24.432 -4.391 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -31.379 28.331 -1.263 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -31.819 27.873 -2.013 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -31.910 29.143 -1.139 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -28.463 32.357 1.543 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -28.313 32.972 0.805 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -29.361 31.997 1.374 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -29.988 28.575 -8.418 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -30.713 29.177 -8.139 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -29.809 28.032 -7.614 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -31.648 25.836 -7.085 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -31.306 25.030 -7.547 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -31.996 26.383 -7.796 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -35.672 27.232 -3.092 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -35.575 28.121 -3.516 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -36.604 27.010 -3.223 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -24.784 35.097 -13.932 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -24.469 34.550 -13.200 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -24.649 36.026 -13.613 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -29.276 28.553 -11.020 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -29.666 28.554 -10.117 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -29.260 27.600 -11.270 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -30.385 19.382 -1.366 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -30.009 19.714 -0.519 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -31.315 19.228 -1.168 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -29.813 31.357 -6.360 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -30.095 32.301 -6.300 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -30.584 30.904 -6.755 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -31.003 31.576 1.025 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -31.129 30.608 1.150 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -31.690 31.983 1.603 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -35.388 24.255 2.289 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -34.995 23.429 1.938 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -34.927 24.964 1.799 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -34.423 24.684 -2.748 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -33.740 24.689 -3.453 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -34.979 25.453 -2.949 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -33.750 25.916 0.834 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -33.050 26.164 1.469 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -33.360 25.169 0.323 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -31.734 20.994 1.510 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -31.584 21.631 2.240 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -30.830 20.769 1.205 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -29.321 26.550 -0.754 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -30.021 27.200 -0.968 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -29.772 25.676 -0.835 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -28.592 28.193 -13.720 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -28.809 27.247 -13.662 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -28.963 28.568 -12.898 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -29.355 25.989 -12.006 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -28.625 25.545 -12.500 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -29.940 25.267 -11.753 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -26.644 25.819 -17.788 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -26.618 26.349 -16.959 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -27.340 26.228 -18.307 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -30.088 23.542 -4.504 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -29.847 22.869 -3.828 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -29.476 23.368 -5.245 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -30.583 24.226 -1.373 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -30.197 23.382 -1.681 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -31.480 23.977 -1.057 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -27.176 17.200 0.706 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -26.238 16.932 0.613 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -27.424 17.523 -0.183 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -27.332 20.769 -1.266 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -26.384 21.027 -1.289 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -27.327 19.811 -1.482 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -29.822 31.759 -9.613 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -29.476 32.600 -9.990 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -29.522 31.772 -8.690 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -32.935 32.356 2.769 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -33.155 31.469 3.146 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -33.809 32.763 2.594 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -30.168 32.431 -1.522 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -29.742 33.249 -1.193 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -30.548 32.023 -0.717 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -27.922 18.128 -1.812 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -27.854 17.599 -2.636 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -28.859 18.417 -1.785 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -35.253 29.616 -4.343 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -35.531 30.533 -4.495 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -34.312 29.610 -4.604 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -32.496 29.724 -4.710 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.388 30.426 -4.028 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -32.457 28.882 -4.199 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -33.218 26.713 6.325 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -33.109 26.978 7.268 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -34.181 26.546 6.232 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -26.897 29.162 10.339 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -27.121 28.289 9.950 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -27.614 29.752 10.031 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -32.988 30.963 11.096 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -32.954 30.727 12.045 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -32.757 30.138 10.644 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -32.364 30.008 7.495 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -33.102 30.385 6.967 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -31.922 30.795 7.882 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -27.803 26.858 9.160 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -28.564 27.373 8.812 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -28.192 26.006 9.417 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -27.571 29.446 12.983 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -27.722 30.417 13.075 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -27.202 29.348 12.077 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -37.075 24.239 4.430 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -36.467 24.221 3.653 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -37.797 23.656 4.177 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -33.131 23.676 -0.605 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -33.689 23.885 -1.393 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -33.664 23.031 -0.097 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -26.806 25.973 14.971 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -26.853 26.924 15.228 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -25.949 25.667 15.354 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -30.125 24.750 7.639 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -29.740 24.522 8.514 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -30.756 25.455 7.837 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -31.897 28.386 11.241 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -32.233 28.762 12.083 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -30.983 28.088 11.464 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -31.615 25.003 5.057 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -30.887 24.899 5.695 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -32.267 25.575 5.528 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -31.109 32.236 8.625 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -30.638 32.954 8.138 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -31.575 32.706 9.350 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -29.036 31.611 17.235 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -28.841 31.633 18.197 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -29.303 32.531 17.024 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -34.386 31.327 6.146 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -35.145 31.479 5.529 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -34.378 32.114 6.704 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -28.684 27.122 1.898 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -28.509 26.217 2.177 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -28.808 27.052 0.930 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -34.990 27.515 3.686 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -35.328 27.151 4.531 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -35.656 27.257 3.035 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -29.438 27.647 12.071 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -28.864 26.863 12.082 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -28.906 28.339 12.518 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -34.283 21.946 1.157 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -34.843 21.162 1.188 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -33.367 21.594 1.269 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -32.713 29.712 13.565 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -33.440 29.516 14.163 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -31.992 30.035 14.160 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -26.998 20.165 5.488 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -26.824 20.487 6.396 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -26.794 19.211 5.530 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -26.516 28.611 15.320 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -27.005 28.906 14.516 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -26.443 29.427 15.863 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -32.575 27.615 8.766 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -32.534 27.777 9.736 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -32.609 28.518 8.372 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -35.920 26.175 5.933 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -36.577 26.370 6.612 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -36.302 25.404 5.444 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -29.859 28.522 8.569 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -30.725 28.263 8.929 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -29.620 29.329 9.073 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.136 33.017 14.022 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -30.208 33.904 13.606 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -29.315 32.637 13.635 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -34.664 28.079 -0.596 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -34.380 27.302 -0.065 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -35.124 27.689 -1.359 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -32.381 26.854 3.075 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -32.062 26.113 3.636 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.301 27.017 3.390 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -31.314 28.902 1.460 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -31.193 28.562 0.548 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -31.729 28.154 1.939 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -33.633 29.928 3.806 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -34.197 29.138 3.681 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -33.906 30.282 4.675 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -29.312 24.651 10.260 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -28.672 24.857 10.974 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -30.117 24.406 10.732 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -28.938 30.926 9.610 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -28.468 31.688 10.011 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.775 31.317 9.277 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -33.220 30.324 -0.733 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -33.842 29.552 -0.697 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -33.261 30.700 0.155 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -28.888 23.545 3.248 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -29.824 23.261 3.242 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -28.667 23.622 4.207 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -30.919 30.763 15.331 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -30.724 31.573 14.812 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -30.296 30.808 16.082 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -36.261 31.982 4.327 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -37.233 31.931 4.208 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -35.963 32.571 3.605 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -27.746 32.156 13.005 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -27.887 32.501 12.096 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -27.020 32.710 13.358 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -26.522 31.217 16.215 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -27.468 31.237 16.471 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -26.187 32.082 16.488 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -28.142 31.943 19.814 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -27.162 32.027 19.770 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -28.299 31.414 20.603 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -28.391 23.465 5.899 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -27.943 22.763 6.393 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -28.942 23.918 6.570 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -28.079 23.589 15.499 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -28.973 23.711 15.840 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -27.719 24.501 15.433 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -29.123 20.519 0.772 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -28.440 20.719 0.094 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -28.631 20.564 1.623 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -31.453 22.627 3.693 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -31.638 23.505 4.101 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -31.638 21.996 4.399 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -27.748 25.341 12.431 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -27.269 24.485 12.468 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -27.612 25.722 13.324 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -32.815 20.511 16.610 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -33.469 20.622 17.302 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -32.981 19.634 16.262 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -27.557 21.112 2.964 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -27.342 20.740 3.851 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -27.958 21.981 3.162 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -32.820 34.620 13.264 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -32.997 34.322 14.160 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -31.980 35.119 13.338 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -30.263 35.610 13.163 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -29.714 36.350 13.501 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -30.097 35.612 12.195 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -24.856 13.839 7.952 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -24.735 13.812 6.971 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -25.272 12.996 8.162 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -38.977 32.103 3.913 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -39.465 32.528 4.626 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -39.642 31.929 3.240 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -29.610 34.183 16.428 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -28.891 34.731 16.050 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -30.062 33.811 15.642 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -34.990 45.708 -46.132 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -35.649 46.436 -46.129 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -34.580 45.750 -45.236 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -31.194 45.896 -50.432 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -30.587 46.638 -50.510 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -30.633 45.153 -50.182 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -33.074 48.713 -46.142 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -33.787 48.733 -45.486 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -33.543 48.680 -47.005 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -33.480 45.739 -43.750 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -32.558 45.436 -43.640 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -33.716 46.107 -42.881 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -24.563 41.510 -42.394 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -23.653 41.843 -42.235 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -24.839 41.155 -41.523 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -33.722 41.222 -48.378 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -33.221 40.421 -48.082 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -34.646 40.914 -48.431 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -36.893 39.728 -43.820 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -36.858 38.949 -43.223 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -36.717 39.357 -44.713 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -27.775 41.210 -39.880 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -28.708 41.113 -39.580 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -27.592 42.172 -39.792 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.826 47.797 -46.502 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -37.250 48.429 -47.130 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -37.479 47.718 -45.775 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -36.494 42.233 -44.808 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -36.669 41.376 -44.363 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -35.524 42.206 -45.005 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -32.589 39.075 -47.236 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -32.061 39.468 -46.512 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -32.639 38.125 -47.010 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -40.328 45.491 -44.704 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -41.140 45.038 -44.942 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -39.748 44.779 -44.350 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -32.608 45.282 -47.415 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -33.408 45.308 -46.843 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -32.913 45.665 -48.260 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -29.298 39.240 -43.080 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -29.903 39.954 -42.805 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -28.415 39.668 -43.107 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -38.041 49.578 -48.212 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -38.855 49.979 -48.526 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -37.386 49.775 -48.921 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -36.167 49.870 -50.142 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -35.811 49.666 -51.010 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -35.532 49.461 -49.517 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -36.297 43.508 -47.206 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -36.497 43.085 -46.343 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -35.888 44.367 -46.956 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -34.740 48.322 -48.335 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -35.444 47.972 -47.751 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.473 47.548 -48.883 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -36.676 47.193 -42.849 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -37.370 47.150 -43.544 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -36.587 48.152 -42.667 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -38.714 43.485 -43.768 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -37.883 43.211 -44.216 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -39.057 42.652 -43.375 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -37.679 44.872 -41.631 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -38.100 44.479 -42.420 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -37.345 45.735 -41.943 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -38.742 47.702 -44.499 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -39.401 46.982 -44.647 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -39.199 48.324 -43.890 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -37.035 37.603 -42.104 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -37.644 37.170 -41.488 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -36.257 37.845 -41.543 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -39.981 40.048 -45.544 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -39.665 39.183 -45.890 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -39.662 40.691 -46.187 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -36.546 40.978 -48.344 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -36.877 41.084 -49.245 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -36.549 41.891 -47.976 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -33.965 41.871 -45.690 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -33.103 41.509 -45.407 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -33.924 41.843 -46.662 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -31.390 37.338 -42.997 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -32.298 37.680 -43.180 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -30.817 38.130 -43.049 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -31.174 52.861 -39.114 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -31.579 52.077 -39.540 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -30.404 53.064 -39.677 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -39.732 35.318 -42.402 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -40.536 35.621 -42.888 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -40.051 34.610 -41.838 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -34.652 43.628 -49.426 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -34.158 42.806 -49.255 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -35.326 43.651 -48.719 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -35.544 42.422 -36.659 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -36.459 42.131 -36.830 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -35.212 42.696 -37.540 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -37.131 46.753 -39.154 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -36.759 46.972 -38.276 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -36.498 46.097 -39.517 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -34.405 46.971 -41.382 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -35.247 46.961 -41.894 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -34.596 46.394 -40.597 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -33.979 37.961 -43.448 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.382 38.065 -42.561 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -34.622 37.416 -43.947 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -36.695 38.943 -46.461 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -37.538 38.515 -46.720 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -36.560 39.641 -47.141 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -38.046 36.339 -44.282 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -38.673 35.755 -43.800 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -37.623 36.863 -43.568 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -39.258 40.895 -43.061 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -38.374 40.478 -43.060 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -39.642 40.631 -43.920 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -39.104 37.617 -46.455 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -39.731 37.009 -46.867 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -38.768 37.121 -45.669 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -30.237 40.409 -39.005 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -30.861 39.862 -39.507 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -30.240 40.011 -38.109 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -31.029 46.843 -45.792 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -31.677 47.578 -45.840 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -31.385 46.178 -46.417 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -39.102 45.129 -38.151 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -38.782 44.351 -38.641 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -38.610 45.874 -38.548 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -41.626 38.879 -43.661 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -41.188 39.320 -44.415 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -41.463 39.467 -42.915 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -38.153 41.822 -37.242 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -38.466 40.930 -37.419 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -38.086 42.238 -38.131 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -41.859 36.179 -43.807 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -42.777 36.031 -44.047 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -41.779 37.160 -43.752 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -37.578 43.212 -39.511 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -36.606 43.281 -39.331 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -37.709 43.779 -40.311 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -35.925 40.977 -40.577 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -35.436 41.671 -40.070 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -36.825 41.325 -40.639 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -34.845 38.479 -40.828 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -35.153 39.389 -40.607 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -33.993 38.389 -40.343 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -33.265 38.272 -36.851 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -33.556 37.516 -36.293 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -33.867 38.992 -36.600 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -29.276 48.339 -44.287 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -29.908 49.075 -44.152 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -29.718 47.768 -44.951 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -29.808 48.692 -39.651 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -29.549 48.186 -40.456 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -30.642 48.258 -39.357 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -28.354 42.302 -48.079 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.286 42.588 -48.096 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -27.927 42.915 -47.444 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -29.921 43.057 -45.331 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -28.974 43.261 -45.492 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -30.337 43.146 -46.213 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -28.932 47.261 -41.830 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -29.305 46.398 -42.077 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -28.999 47.794 -42.656 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -33.831 46.185 -49.765 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -34.238 45.290 -49.834 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -32.959 46.086 -50.206 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -31.075 43.087 -47.841 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -31.708 42.424 -48.162 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -31.622 43.898 -47.711 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -30.579 38.879 -36.694 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -30.166 38.088 -37.110 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.530 38.641 -36.621 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -38.181 49.042 -40.129 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -38.453 49.362 -39.238 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -37.792 48.153 -39.949 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -38.712 49.285 -37.462 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -37.897 49.345 -36.920 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -39.260 48.651 -36.993 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -31.883 50.459 -40.247 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -31.069 49.948 -40.068 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -32.599 49.827 -40.076 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -29.541 36.978 -38.331 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.004 36.571 -39.091 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -28.769 37.423 -38.733 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -36.684 49.881 -42.308 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -37.428 50.221 -42.828 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -37.058 49.760 -41.408 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -33.963 49.323 -42.944 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -34.839 49.725 -42.782 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -33.974 48.509 -42.407 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -31.582 49.907 -44.179 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -32.380 49.745 -43.625 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -31.888 49.729 -45.089 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -39.645 49.329 -42.437 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -40.545 49.533 -42.166 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -39.166 49.181 -41.590 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -33.186 36.350 -46.707 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -33.977 36.442 -46.129 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -33.442 35.684 -47.353 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -28.322 37.037 -44.495 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -29.050 36.550 -44.942 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -28.766 37.811 -44.096 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -30.770 36.084 -45.370 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -31.091 36.400 -44.503 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -31.558 36.127 -45.946 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -35.542 36.736 -45.373 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -35.826 37.544 -45.854 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -36.380 36.326 -45.080 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -39.576 43.803 -27.675 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -39.872 44.125 -28.535 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -40.248 44.111 -27.059 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -33.317 46.493 -23.556 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -33.680 47.217 -24.099 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -33.796 46.568 -22.704 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -34.989 49.426 -33.543 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -34.141 49.769 -33.902 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -35.575 49.372 -34.327 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -37.495 42.020 -27.467 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -37.159 42.068 -28.367 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -38.209 42.696 -27.441 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -25.184 38.208 -25.635 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -24.743 37.492 -26.133 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -25.064 38.998 -26.194 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -31.854 42.261 -26.402 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -31.841 43.182 -26.780 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -30.916 42.065 -26.243 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -30.140 40.475 -30.686 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -30.804 40.596 -29.963 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -30.481 41.036 -31.418 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -25.229 39.463 -23.198 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -26.169 39.645 -22.974 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -25.280 38.915 -24.011 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -33.589 44.723 -29.306 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -33.603 43.835 -29.695 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -32.753 44.750 -28.793 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -34.398 48.018 -25.596 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -34.371 47.131 -26.024 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -33.678 48.521 -26.050 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -28.982 35.948 -26.318 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -28.263 36.132 -26.972 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -29.573 35.347 -26.783 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -27.075 36.599 -24.370 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -27.810 36.394 -24.981 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -26.508 37.214 -24.876 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -32.373 49.119 -27.006 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -31.422 49.063 -27.187 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -32.720 49.682 -27.727 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.223 45.549 -26.754 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -34.571 45.407 -27.655 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -33.251 45.395 -26.854 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -36.718 42.577 -31.515 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -37.231 43.415 -31.452 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -36.243 42.652 -32.373 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -30.823 51.502 -29.783 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -30.989 51.687 -30.734 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -31.714 51.320 -29.419 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -36.915 47.594 -24.599 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -36.068 47.882 -25.003 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -37.225 46.892 -25.176 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -36.203 47.162 -32.367 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -35.864 48.008 -32.732 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -35.560 46.924 -31.688 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -34.639 46.586 -21.078 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -34.274 46.966 -20.246 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -35.364 47.202 -21.325 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -34.280 51.222 -31.426 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -34.621 50.580 -32.078 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -34.064 52.013 -31.959 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -33.390 50.890 -28.882 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -33.686 50.883 -29.827 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -34.103 51.343 -28.419 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -28.382 41.479 -17.380 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -28.280 40.517 -17.516 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -29.291 41.671 -17.698 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -32.768 41.757 -20.598 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -33.472 42.220 -21.094 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -33.235 41.007 -20.168 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -34.553 36.901 -34.884 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -35.152 37.667 -34.943 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -34.000 37.095 -34.100 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -34.316 41.941 -30.215 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -35.226 42.221 -30.444 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -34.008 41.467 -31.018 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -36.459 40.083 -20.767 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -35.587 39.991 -20.319 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -36.237 40.120 -21.721 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -32.087 41.070 -28.914 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -32.947 41.357 -29.293 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -32.079 41.454 -28.020 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -34.383 43.709 -24.713 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -34.549 44.399 -25.391 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -34.597 42.869 -25.168 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -34.274 41.140 -25.728 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -33.367 41.388 -26.009 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -34.636 40.664 -26.486 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -30.750 51.611 -20.162 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -30.719 52.547 -19.892 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -30.194 51.573 -20.966 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -37.734 40.235 -25.417 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -37.622 40.926 -26.109 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -38.347 39.608 -25.808 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -37.975 45.033 -31.764 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -38.753 45.138 -32.356 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -37.465 45.855 -31.894 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -35.407 39.540 -34.868 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -36.216 39.829 -34.394 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -34.688 39.748 -34.256 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -33.500 41.104 -32.703 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -32.598 41.472 -32.808 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -34.072 41.723 -33.205 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -37.339 37.795 -19.486 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -37.817 37.345 -20.189 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -37.053 38.641 -19.894 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.588 48.271 -22.019 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -36.890 48.000 -22.919 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -37.406 48.450 -21.539 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -31.404 54.076 -18.982 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -31.974 54.147 -18.194 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -32.009 54.268 -19.735 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -36.159 45.359 -34.490 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -36.291 46.054 -33.812 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -37.063 45.129 -34.781 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -39.889 45.362 -33.685 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -39.417 44.820 -34.357 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -40.589 45.794 -34.182 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -30.688 36.991 -24.314 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -30.087 36.486 -24.893 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -30.587 37.901 -24.609 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -33.147 38.290 -32.953 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -32.307 38.018 -32.526 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -33.253 39.223 -32.696 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -36.378 49.067 -35.966 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -35.708 49.704 -36.317 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -36.050 48.190 -36.262 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -35.824 40.556 -23.483 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -36.636 40.377 -24.012 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -35.110 40.583 -24.153 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -30.664 40.420 -21.944 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -31.178 39.602 -22.130 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -31.264 40.953 -21.390 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -29.637 50.221 -27.666 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -29.983 50.619 -28.494 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -29.790 50.895 -26.996 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -36.899 49.073 -16.965 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -37.134 48.352 -17.597 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -35.932 49.192 -17.086 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -35.557 46.586 -36.911 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -35.566 45.994 -36.130 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -35.114 46.056 -37.613 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -30.019 48.589 -17.339 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -29.606 47.936 -16.743 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -30.963 48.515 -17.159 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -32.392 47.707 -39.444 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -32.385 46.990 -38.772 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -33.083 47.435 -40.075 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -38.515 44.153 -35.686 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -38.787 44.629 -36.506 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -38.337 43.241 -35.994 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -35.585 44.771 -19.066 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -35.123 45.199 -19.816 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -36.084 44.037 -19.481 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -37.526 40.429 -33.261 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -37.262 41.010 -32.525 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -38.435 40.677 -33.442 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -35.438 42.779 -33.934 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -35.572 43.746 -34.062 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -35.436 42.419 -34.852 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -31.065 41.833 -18.199 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -31.707 41.273 -17.721 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -31.515 42.050 -19.033 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -34.865 42.757 -22.206 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -34.722 43.341 -22.983 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -35.217 41.925 -22.597 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -34.098 39.700 -19.409 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -33.748 39.873 -18.507 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -33.773 38.797 -19.620 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -32.218 38.205 -22.274 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -32.701 37.670 -21.621 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -31.821 37.547 -22.881 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -32.910 37.233 -19.615 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -31.959 37.085 -19.597 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -33.209 36.981 -18.711 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -25.978 49.236 -23.571 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -26.281 48.352 -23.865 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -25.034 49.265 -23.826 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -29.025 47.607 -19.848 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -28.520 46.987 -19.285 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -29.557 48.119 -19.217 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -32.466 38.179 -39.485 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -32.708 38.097 -38.534 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -31.941 37.376 -39.671 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -30.819 42.017 -32.800 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -30.418 41.442 -33.499 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -30.424 42.895 -32.959 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -26.832 38.068 -19.916 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -26.811 37.291 -20.510 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -25.966 38.498 -20.061 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -30.644 38.001 -31.829 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -30.453 38.823 -31.338 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -29.861 37.859 -32.371 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -27.847 39.833 -22.173 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -27.772 39.325 -21.351 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -28.786 40.113 -22.196 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -25.896 38.415 -37.404 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -26.480 38.306 -36.644 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -26.498 38.357 -38.180 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -31.396 52.221 -32.409 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -32.107 52.896 -32.458 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -30.611 52.670 -32.784 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -34.621 49.934 -23.031 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -34.515 49.583 -23.926 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -35.308 49.363 -22.627 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -33.279 54.310 -20.964 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -33.635 54.897 -21.635 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -33.764 53.465 -21.099 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -36.668 52.748 -19.422 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -36.049 52.408 -20.104 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -36.385 53.657 -19.280 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -27.521 51.320 -24.490 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -26.876 51.747 -25.077 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -27.091 50.477 -24.241 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -26.913 36.333 -28.069 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -26.001 36.207 -27.740 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -26.794 36.694 -28.963 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -34.363 50.706 -36.628 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -33.826 50.881 -35.830 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -33.816 51.022 -37.353 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -32.653 50.749 -34.420 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -32.061 50.982 -35.171 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -32.201 51.127 -33.635 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -27.262 49.309 -15.360 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -27.566 48.411 -15.594 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -27.592 49.872 -16.094 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -39.510 41.065 -4.551 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -39.143 40.537 -3.839 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -39.225 40.600 -5.367 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -39.770 45.804 -6.010 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -40.505 46.260 -5.591 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -40.032 44.856 -5.988 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -32.372 38.217 -6.662 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.828 38.321 -7.503 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -31.413 38.291 -6.898 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -41.458 41.038 -7.589 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -40.666 40.509 -7.362 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -42.148 40.383 -7.731 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -35.620 42.537 -15.472 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -36.241 43.217 -15.141 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -35.766 42.529 -16.424 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -32.856 40.112 -16.958 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -32.093 39.599 -16.618 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -33.423 40.243 -16.169 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -29.077 41.416 -1.273 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -28.844 42.268 -1.704 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -29.805 41.655 -0.655 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -39.103 42.683 -8.257 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -39.891 42.315 -8.690 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -39.450 43.077 -7.430 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -37.386 46.698 -7.004 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -36.962 45.839 -7.109 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -38.288 46.480 -6.668 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -35.920 49.234 -6.004 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -36.433 48.414 -5.918 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -35.928 49.613 -5.120 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.030 36.631 -15.465 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -29.265 36.413 -14.537 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -28.279 36.034 -15.664 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -29.387 36.558 -2.118 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -28.961 37.426 -2.291 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.339 36.726 -2.288 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -34.526 32.494 -4.771 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -34.807 33.322 -4.367 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -33.745 32.222 -4.242 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -31.913 37.550 -2.682 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -31.884 38.147 -1.897 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -32.707 37.851 -3.179 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -34.982 34.710 -15.693 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -35.841 34.982 -16.046 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -34.339 35.235 -16.207 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.906 38.294 -4.418 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.780 38.544 -4.728 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -33.335 38.378 -5.214 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -36.467 36.158 -11.225 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -36.317 35.313 -10.737 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -37.316 36.032 -11.659 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -35.804 40.740 -10.231 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -36.136 41.633 -9.982 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -35.296 40.894 -11.041 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -30.885 33.812 -6.471 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -31.101 34.581 -5.899 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -31.355 33.993 -7.300 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -29.145 53.706 -0.035 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -29.581 54.518 0.298 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -28.704 53.996 -0.862 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -38.860 40.158 -7.061 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -38.659 41.039 -7.428 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -38.358 39.538 -7.641 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -37.411 44.633 -15.007 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -37.417 45.164 -14.171 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -38.341 44.570 -15.253 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -33.732 36.800 -17.009 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -34.695 36.998 -17.048 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -33.452 37.150 -16.135 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -27.950 49.264 -1.304 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -27.648 49.615 -0.457 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -28.167 50.064 -1.831 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -27.207 42.253 -15.058 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -27.201 41.442 -14.522 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -27.642 41.980 -15.899 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -36.016 46.552 -10.540 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -36.102 47.360 -9.990 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -35.174 46.173 -10.271 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -36.820 43.232 -9.667 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -37.034 44.073 -10.085 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -37.612 43.026 -9.121 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -36.240 49.724 -12.899 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -37.049 49.779 -13.460 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -36.494 50.175 -12.067 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -40.553 43.157 -5.954 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -41.199 42.599 -6.430 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -40.192 42.560 -5.257 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -28.461 51.500 -2.855 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -28.817 50.924 -3.574 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -28.962 52.325 -2.944 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -27.388 51.417 -20.044 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -28.120 51.254 -20.677 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -27.737 51.091 -19.184 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -35.440 45.788 -16.550 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -35.462 45.312 -17.413 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -36.214 45.432 -16.064 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -37.463 46.257 -12.848 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -37.949 47.089 -12.849 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -36.902 46.308 -12.041 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -31.448 36.124 -5.064 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -31.560 36.488 -4.162 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -31.876 36.785 -5.641 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -37.355 38.867 -8.932 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -36.801 39.533 -9.400 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -37.194 38.047 -9.414 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -34.206 40.378 -14.564 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -34.066 40.548 -13.605 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -34.783 41.121 -14.857 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -33.300 51.209 -15.008 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -34.213 51.581 -15.033 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -32.958 51.481 -14.133 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -38.270 49.567 -14.662 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -39.029 50.066 -14.979 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -37.801 49.295 -15.484 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -30.070 54.794 -7.346 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -30.373 54.510 -8.237 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -30.299 55.751 -7.308 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -37.388 46.989 -18.725 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -36.602 46.422 -18.786 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -38.097 46.450 -19.132 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -34.007 47.327 -18.519 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -34.373 46.766 -17.815 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -33.991 48.222 -18.125 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -29.137 46.773 -1.188 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -29.680 46.859 -0.401 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -28.734 47.660 -1.297 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -38.794 44.876 -19.881 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -39.649 44.474 -20.047 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -38.150 44.177 -20.120 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -36.996 42.836 -20.460 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -37.078 41.863 -20.385 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -36.307 42.960 -21.148 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -28.553 44.067 -1.900 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -28.889 44.967 -2.059 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -28.172 44.116 -1.002 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -31.834 39.318 -0.609 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -31.536 39.161 0.305 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -31.731 40.273 -0.729 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -30.443 39.386 1.787 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -29.558 39.165 1.439 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -30.681 38.615 2.349 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -34.176 49.657 -17.117 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -33.859 50.279 -17.814 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -33.831 50.041 -16.283 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -27.807 49.008 -7.405 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -27.412 49.163 -6.529 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -27.074 48.618 -7.930 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -25.521 45.507 -0.638 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -25.586 46.299 -0.066 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -26.194 44.898 -0.278 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -30.865 38.715 -15.516 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -30.241 37.965 -15.626 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -31.643 38.314 -15.076 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -28.321 39.669 -14.713 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -27.986 39.414 -15.596 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -29.288 39.564 -14.791 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -28.362 39.056 -2.542 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -28.164 39.294 -3.457 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -28.762 39.872 -2.164 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -26.537 39.146 -12.677 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -27.260 39.196 -13.335 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -26.422 40.076 -12.382 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -27.854 38.702 -17.309 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -27.540 38.451 -18.205 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -28.289 37.900 -16.975 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -31.641 51.543 -10.270 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -31.116 50.984 -9.670 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -31.308 52.445 -10.104 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -29.192 50.036 -4.999 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -29.018 50.624 -5.757 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -29.216 49.152 -5.385 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -29.401 50.711 -8.829 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -29.253 51.434 -8.183 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -29.004 49.930 -8.397 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -36.221 48.585 -8.682 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -36.795 47.922 -8.237 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -35.783 49.048 -7.939 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -31.660 35.612 -10.784 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -31.974 34.953 -10.120 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -32.479 35.881 -11.258 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -29.024 34.243 -10.520 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -29.848 34.735 -10.364 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -28.331 34.785 -10.073 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -27.380 36.033 -9.287 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -27.426 36.343 -8.362 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -27.112 36.813 -9.785 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -29.673 35.795 -12.808 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -30.556 35.775 -12.400 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -29.147 35.189 -12.257 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -33.234 37.775 -14.483 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -33.704 38.634 -14.424 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -33.485 37.304 -13.658 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -36.475 36.987 -17.048 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -37.196 37.335 -16.517 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -36.709 37.249 -17.971 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -31.119 47.789 -11.420 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -30.391 48.178 -11.944 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -30.691 47.537 -10.573 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -28.964 34.585 -0.293 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -29.102 35.086 0.520 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -29.076 35.256 -1.011 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -28.909 51.272 1.268 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -29.063 52.006 0.627 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -28.689 51.724 2.087 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -26.818 37.808 11.784 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -26.018 37.698 11.231 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -27.194 38.658 11.493 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -31.277 37.282 3.336 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -31.537 37.581 4.214 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -31.174 36.311 3.434 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -31.334 34.554 3.710 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -30.377 34.319 3.790 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -31.773 33.701 3.505 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -27.834 46.745 1.979 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -28.537 47.430 1.904 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -27.036 47.179 1.596 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -32.425 43.629 2.140 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -32.539 44.517 1.788 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -33.211 43.482 2.676 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -30.921 41.843 0.671 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -30.829 41.068 1.266 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -31.443 42.488 1.195 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -25.370 39.775 4.835 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -25.734 39.509 3.959 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -25.019 40.684 4.682 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -29.733 48.685 1.726 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -30.585 48.863 2.132 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -29.414 49.573 1.439 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -33.710 35.709 2.788 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -32.940 35.297 3.227 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -33.359 36.532 2.423 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -35.364 33.639 2.266 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -34.872 34.454 2.533 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -35.846 33.905 1.476 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -27.706 44.307 0.687 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -27.799 45.170 1.147 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -28.242 43.701 1.211 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -22.473 44.518 2.176 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -23.162 44.673 2.854 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -21.631 44.653 2.653 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -24.111 42.190 4.457 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -23.220 42.150 4.821 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -24.272 43.147 4.321 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -26.741 39.505 8.783 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -26.769 40.349 8.323 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -27.124 39.701 9.664 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -26.404 38.841 2.460 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -26.499 37.884 2.510 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -26.971 39.100 1.703 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -28.059 39.274 0.268 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -28.021 38.752 -0.553 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.323 40.167 -0.035 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -23.507 32.820 5.544 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -23.345 32.308 4.713 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -23.634 33.726 5.237 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -28.693 33.914 3.817 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -28.495 33.304 3.075 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -27.812 34.200 4.131 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -25.909 34.329 4.187 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -25.937 33.352 4.068 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -25.149 34.614 3.627 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -27.261 35.201 15.322 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -26.798 34.824 14.538 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -26.763 34.848 16.083 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -30.133 35.187 10.450 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -30.197 35.607 9.582 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -30.954 34.645 10.518 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -29.723 34.235 7.392 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -28.842 34.652 7.545 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -29.879 34.360 6.448 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -32.278 33.556 10.780 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -32.611 32.630 10.857 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -32.609 33.993 11.598 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.436 54.080 -37.185 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -30.097 53.502 -37.610 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -29.183 54.712 -37.898 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -28.947 55.373 -39.516 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -29.262 56.031 -40.142 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -28.859 54.551 -40.052 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -30.497 51.575 -42.345 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -30.768 51.117 -43.167 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -31.129 51.251 -41.674 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -31.341 51.563 -36.694 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -30.464 51.184 -36.929 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -31.554 52.141 -37.450 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -33.694 53.743 -32.576 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -34.213 54.323 -32.011 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -33.556 54.271 -33.400 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -34.639 51.932 -21.107 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -34.121 51.533 -20.377 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -34.605 51.254 -21.824 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -37.610 51.790 -17.080 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -37.364 52.037 -18.004 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -37.479 50.820 -17.053 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -25.834 53.622 -19.617 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -26.447 52.860 -19.632 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -26.126 54.176 -20.376 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -26.588 54.821 -21.901 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -26.019 54.501 -22.633 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -27.419 55.041 -22.328 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -30.550 54.864 -34.783 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -30.192 54.621 -35.662 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -29.967 54.395 -34.151 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -29.085 51.112 -22.272 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -28.579 51.356 -23.083 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -29.521 50.283 -22.507 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -25.074 51.819 -25.862 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -25.602 51.320 -26.533 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -24.423 52.328 -26.396 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -33.171 55.456 -34.602 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -33.328 56.005 -35.372 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -32.199 55.282 -34.624 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -33.067 51.449 -18.811 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -32.229 51.317 -19.320 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -32.887 52.232 -18.264 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -27.516 54.803 -8.408 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -28.462 54.685 -8.197 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -27.481 54.770 -9.384 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -33.173 57.592 -15.999 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -33.764 56.816 -16.111 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -33.612 58.296 -16.480 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -30.719 57.455 -7.239 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -30.088 58.049 -6.819 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -31.322 58.041 -7.709 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -33.059 52.338 -12.429 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -32.563 51.856 -11.728 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -32.833 53.275 -12.272 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -28.254 50.688 -17.525 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -28.993 50.045 -17.613 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -28.706 51.551 -17.340 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -37.266 54.626 -17.028 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -37.441 53.665 -17.011 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -38.139 55.027 -16.969 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -32.713 53.433 -16.605 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -32.016 53.777 -16.005 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -32.981 52.587 -16.191 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -34.586 55.092 -13.435 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -34.812 55.206 -14.383 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -35.180 54.376 -13.133 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -35.775 52.755 -12.405 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -36.135 52.257 -11.652 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -34.823 52.513 -12.417 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -30.278 56.065 0.894 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -31.120 56.308 1.288 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -29.706 56.819 1.068 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -30.687 54.139 -14.776 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -30.124 53.882 -14.016 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -31.086 54.992 -14.495 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -27.877 54.554 -2.361 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -27.120 53.962 -2.507 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -28.003 54.990 -3.212 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -29.633 52.967 -17.091 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -30.096 53.476 -17.785 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -29.921 53.385 -16.254 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -29.907 53.604 -4.874 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -30.034 54.149 -5.684 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -30.738 53.693 -4.397 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -32.090 56.309 -13.887 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -32.195 56.964 -14.613 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -32.996 55.972 -13.743 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -30.533 54.092 -9.962 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -29.920 54.013 -10.723 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -31.350 54.479 -10.357 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -29.165 53.768 -12.377 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -29.033 52.802 -12.240 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -28.302 54.165 -12.124 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -36.753 50.792 -10.417 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -37.447 51.208 -9.890 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -36.482 50.014 -9.882 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -32.544 54.928 -11.542 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -32.017 55.444 -12.187 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -33.467 55.076 -11.821 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -34.741 55.348 -16.204 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -35.633 55.076 -16.520 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -34.165 54.592 -16.434 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -35.703 52.349 -15.175 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -36.074 52.442 -14.279 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -36.478 52.171 -15.742 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -8.226 -1.222 22.776 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -7.792 -2.097 22.689 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -8.626 -1.065 21.884 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -17.892 16.794 -16.744 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -18.087 16.674 -17.679 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -18.718 16.505 -16.286 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -18.012 7.276 -15.075 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -17.721 6.423 -15.408 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -17.223 7.857 -15.180 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -16.567 12.015 -12.087 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -17.070 12.435 -11.352 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -15.711 12.493 -12.096 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -21.576 12.068 -9.961 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -21.244 12.381 -10.833 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -20.877 11.451 -9.650 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -18.931 9.695 -6.734 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -19.155 9.952 -7.659 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -19.608 9.035 -6.496 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -15.877 8.949 -15.276 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -14.931 9.127 -15.353 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -16.273 9.833 -15.127 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -21.722 9.730 -4.158 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -20.906 10.238 -4.156 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -21.486 8.904 -4.633 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -15.272 8.850 -8.325 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -15.132 8.518 -9.216 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -15.445 9.809 -8.450 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -13.683 14.516 -7.114 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -14.393 13.952 -6.734 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -13.773 15.358 -6.644 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -11.395 10.587 -14.032 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -11.136 9.684 -14.238 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -12.269 10.693 -14.468 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -14.336 11.951 -4.078 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -13.673 12.417 -3.517 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -14.065 11.012 -4.038 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -21.424 7.560 -8.194 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -22.191 7.062 -8.560 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -21.025 7.980 -8.965 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -19.331 10.699 -9.257 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -18.932 10.169 -9.987 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -18.856 11.565 -9.311 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -15.831 11.566 -8.521 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -16.609 11.952 -8.994 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -15.841 12.003 -7.650 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -21.957 13.447 -2.113 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -22.931 13.512 -2.142 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -21.742 12.839 -2.827 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -24.348 15.946 -1.935 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -24.456 15.005 -2.199 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -24.738 16.446 -2.678 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -10.379 13.647 -3.960 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -10.670 13.796 -4.884 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -11.196 13.400 -3.487 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -19.640 14.331 -0.974 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -20.473 14.020 -1.401 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -19.763 14.129 -0.042 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -20.781 15.930 -10.795 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -19.894 15.519 -10.941 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -20.954 15.782 -9.849 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -14.065 15.464 -13.886 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -14.095 14.775 -13.183 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -14.956 15.413 -14.308 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -20.633 7.693 -5.635 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -20.124 6.887 -5.489 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -21.022 7.574 -6.535 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -19.596 9.019 -13.716 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -18.993 8.422 -14.221 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -20.421 8.525 -13.661 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -14.222 9.169 -4.187 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -13.593 8.844 -4.843 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -15.101 9.078 -4.632 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -17.412 8.561 1.964 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -17.930 7.952 2.496 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -17.646 8.330 1.035 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -16.479 11.580 -14.778 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -17.135 12.185 -15.178 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -16.567 11.738 -13.810 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -13.824 8.409 -1.498 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.249 7.547 -1.551 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -13.920 8.778 -2.401 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -10.954 13.210 -13.382 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -10.952 12.232 -13.484 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -11.450 13.526 -14.161 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -18.123 9.750 -11.473 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -18.568 9.494 -12.304 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -17.494 10.450 -11.743 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -18.272 12.025 -5.545 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -18.507 11.201 -6.033 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -17.913 11.698 -4.683 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -13.776 11.165 -15.255 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -13.419 12.057 -15.437 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -14.729 11.321 -15.081 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -23.606 13.170 -7.589 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -23.096 12.461 -8.005 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -24.524 13.032 -7.924 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -21.611 13.470 -15.875 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -22.300 13.040 -16.389 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -21.197 12.737 -15.367 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -20.195 11.630 -14.392 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -19.942 10.707 -14.174 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -20.317 12.060 -13.514 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -20.526 13.199 -12.201 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -19.688 13.604 -11.856 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -21.139 13.951 -12.279 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -15.783 13.034 -6.116 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -16.700 12.716 -5.953 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -15.251 12.604 -5.399 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -25.914 12.497 -8.896 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -25.365 12.491 -9.716 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -26.800 12.297 -9.204 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -27.266 14.077 -3.246 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -27.336 15.016 -3.515 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -28.170 13.820 -3.043 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -24.559 16.349 0.736 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -24.451 16.181 -0.229 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -23.751 16.831 0.986 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -18.457 13.423 -15.508 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -19.037 14.208 -15.571 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -19.055 12.714 -15.183 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -17.012 11.210 -3.335 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -16.055 11.372 -3.420 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -17.149 11.085 -2.375 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -16.497 15.235 -15.000 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -16.821 15.857 -15.684 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -17.056 14.437 -15.121 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -24.163 12.534 -10.938 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -23.925 13.377 -11.379 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -23.314 12.200 -10.593 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -11.167 16.860 -6.364 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -11.907 16.918 -5.721 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -10.984 15.897 -6.426 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -7.724 14.305 -4.177 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -7.637 14.545 -5.126 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -8.647 13.965 -4.097 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -12.804 9.804 0.617 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -13.102 9.238 -0.136 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -13.258 9.432 1.387 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -16.410 8.897 -5.858 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -17.326 9.157 -6.080 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -15.981 8.765 -6.734 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -10.971 14.184 -6.618 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -11.903 14.169 -6.920 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -10.453 13.967 -7.428 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -14.047 13.365 -9.626 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -14.615 12.632 -9.316 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -13.782 13.825 -8.808 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -24.646 13.408 -2.916 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -24.498 12.480 -3.231 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -25.625 13.525 -2.969 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -19.825 14.272 -5.760 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -20.270 14.262 -6.631 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -19.353 13.413 -5.720 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -23.946 14.747 -5.326 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -24.097 14.107 -4.608 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -23.792 14.187 -6.119 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -21.201 14.316 -8.300 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -22.108 14.239 -7.940 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -21.138 13.579 -8.939 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -23.582 6.311 -9.288 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -23.705 5.683 -10.006 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -24.465 6.428 -8.920 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -14.896 18.082 -13.659 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -14.437 17.220 -13.616 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -14.431 18.635 -13.003 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -8.835 14.211 -11.779 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -8.244 13.520 -12.093 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -9.659 14.077 -12.300 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -11.106 11.889 1.316 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -11.496 11.021 1.068 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -11.793 12.530 1.079 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -7.654 9.103 8.350 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -6.999 8.521 7.919 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -7.700 8.767 9.268 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -4.007 0.503 14.144 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -3.298 1.071 13.771 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -4.798 0.706 13.585 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -8.219 -0.080 15.595 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -8.982 -0.036 16.211 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -8.608 0.144 14.721 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -12.928 9.830 8.897 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -11.987 9.733 8.613 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -12.972 10.716 9.265 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -15.432 13.403 12.608 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -16.313 13.821 12.760 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -15.114 13.806 11.767 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -10.338 9.922 8.011 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -9.456 9.526 8.145 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -10.221 10.500 7.237 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -13.424 8.875 13.442 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -13.852 9.734 13.655 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -13.348 8.883 12.478 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -9.893 2.725 15.654 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -9.908 3.601 15.214 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -9.893 2.087 14.910 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -14.916 7.164 15.027 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -14.418 7.854 14.542 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -15.091 7.563 15.904 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -18.609 11.922 8.852 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -17.956 11.656 8.161 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -18.137 11.756 9.701 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -17.302 11.634 11.234 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -16.587 12.247 11.483 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -17.285 10.951 11.944 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -17.189 10.309 13.590 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -17.595 10.844 14.310 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -17.391 9.375 13.843 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -20.383 11.901 18.754 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -20.022 11.205 19.328 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -21.301 12.036 19.081 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -8.233 10.040 3.795 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -8.569 9.415 3.147 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -7.426 10.412 3.376 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -18.016 11.825 15.701 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -18.388 12.733 15.661 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -18.751 11.283 16.054 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -24.364 14.100 5.318 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -24.789 13.901 4.456 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -24.177 15.063 5.267 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -17.271 13.010 3.025 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -16.844 12.327 2.474 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -17.172 13.839 2.504 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -10.591 4.897 18.100 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -11.365 4.817 18.693 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -10.786 4.295 17.374 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -14.961 9.331 7.135 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -15.152 8.408 7.331 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -14.208 9.551 7.733 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -9.998 4.880 13.944 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -9.526 5.576 13.472 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -10.927 5.212 13.992 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -15.666 10.738 16.631 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -16.520 11.184 16.445 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -15.053 11.126 15.986 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -14.169 10.391 3.670 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -13.256 10.743 3.798 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -14.386 9.987 4.521 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -14.669 11.226 14.011 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -14.748 12.114 13.586 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -15.565 10.831 13.893 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -3.804 8.208 17.630 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -3.448 8.596 18.460 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -3.868 7.249 17.827 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -9.414 11.482 5.748 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -8.661 11.638 6.369 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -9.026 10.899 5.051 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -21.669 14.058 5.917 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -21.768 14.466 6.804 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -22.589 13.877 5.635 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -19.605 12.233 6.027 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -19.656 12.039 6.974 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -20.388 12.797 5.856 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -19.656 12.634 12.317 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -19.167 13.387 12.722 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -18.955 12.105 11.891 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -19.784 15.184 4.309 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -20.444 14.878 4.970 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -20.297 15.307 3.506 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -13.895 12.202 -0.179 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -13.503 11.316 -0.045 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -14.682 12.199 0.384 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -13.410 14.522 16.303 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -13.664 14.523 17.249 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -12.435 14.598 16.320 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -8.518 12.703 1.042 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -9.430 12.362 1.198 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -8.524 12.972 0.114 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -11.632 11.274 4.024 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -10.931 11.395 4.696 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -11.213 11.546 3.189 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -18.150 8.353 -0.642 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -18.013 9.315 -0.774 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -18.542 8.055 -1.467 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -16.911 11.253 6.858 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -16.181 10.599 6.946 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -17.418 10.944 6.096 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -19.100 14.496 7.986 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -18.913 13.707 8.532 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -19.792 14.963 8.474 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -12.297 1.088 19.342 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -13.081 1.653 19.518 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -12.495 0.262 19.797 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -14.271 14.292 10.273 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -14.596 15.201 10.131 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -13.359 14.314 9.927 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -18.960 14.076 19.825 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -18.872 14.759 19.127 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -19.471 13.359 19.390 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -17.543 11.085 -0.619 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -16.933 11.000 0.146 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -18.076 11.864 -0.411 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -16.974 15.463 1.838 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -16.332 15.735 1.165 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -17.174 16.289 2.326 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -20.140 10.273 16.527 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -20.329 10.877 17.275 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -20.636 10.665 15.772 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -16.018 10.874 1.723 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -15.301 10.799 2.398 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -16.552 10.051 1.853 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -12.004 11.050 14.901 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -11.990 10.107 14.696 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -12.912 11.330 14.684 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -15.839 8.191 17.434 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -15.674 9.143 17.215 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -16.817 8.119 17.443 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -15.453 3.010 22.748 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -15.085 2.278 23.286 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -15.248 3.817 23.274 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -17.539 7.797 14.507 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -16.689 7.332 14.650 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -18.206 7.174 14.810 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -25.667 16.513 8.125 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -25.927 16.766 7.209 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -25.445 15.562 8.058 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -14.630 15.658 14.180 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -14.217 15.270 14.990 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -14.808 14.885 13.615 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -10.721 14.949 16.636 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -10.590 15.154 17.583 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -10.729 15.820 16.206 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -7.860 5.456 10.942 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -7.893 6.428 11.032 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -7.741 5.311 9.985 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -9.903 12.797 15.078 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -10.210 13.546 15.630 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -10.671 12.181 15.058 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -12.436 6.206 14.040 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -13.278 6.061 14.506 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -12.503 7.118 13.713 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -9.659 1.003 13.465 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -10.380 0.648 12.895 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -9.167 1.605 12.879 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -10.462 0.561 17.230 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -11.203 0.708 17.845 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -10.395 1.402 16.731 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -5.185 1.890 20.905 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -5.175 1.245 20.167 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -5.581 1.395 21.651 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -9.051 -0.844 20.199 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -9.789 -0.518 19.672 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -8.481 -1.314 19.547 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -21.082 11.944 14.566 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -21.326 12.844 14.823 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -20.621 12.058 13.706 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -22.661 17.370 14.856 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -22.776 17.977 14.104 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -22.401 17.960 15.595 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -22.055 14.719 15.185 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -22.783 14.398 14.638 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -22.134 15.706 15.128 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -19.304 14.334 15.768 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -19.164 14.870 16.575 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -20.237 14.496 15.534 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -17.882 14.425 13.295 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -18.201 14.728 14.168 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -17.651 15.251 12.820 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -16.849 17.358 14.197 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -16.073 16.757 14.212 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -16.819 17.761 13.316 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -22.313 14.782 8.524 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -23.226 14.432 8.456 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -21.843 14.119 9.089 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -20.987 12.914 9.933 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -20.291 12.360 9.529 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -20.770 12.906 10.889 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -26.256 17.408 5.574 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -26.791 17.150 4.789 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -25.330 17.232 5.298 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -8.970 14.309 5.780 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -9.306 13.393 5.823 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -8.476 14.343 4.934 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -25.398 14.901 2.918 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -26.220 15.400 3.091 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -25.085 15.251 2.058 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -18.961 6.455 27.927 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -18.967 5.705 27.299 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -19.884 6.750 27.950 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -17.533 15.072 25.911 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -16.988 15.881 26.023 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -17.515 14.652 26.799 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -17.374 7.769 25.968 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -16.781 7.762 26.745 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -18.199 7.395 26.305 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -11.366 5.267 24.825 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -11.908 4.521 25.166 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -10.455 4.976 24.957 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -17.971 4.222 23.398 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -18.551 4.129 22.606 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -17.172 3.711 23.169 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -13.458 9.250 30.871 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -12.852 8.633 31.341 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -12.870 9.730 30.251 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -12.886 4.640 19.767 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -13.498 3.878 19.772 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -12.755 4.845 20.713 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -21.301 6.612 26.214 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -22.131 6.154 26.039 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -20.610 5.970 25.941 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -14.540 13.481 27.242 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -14.456 12.647 27.745 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -15.395 13.849 27.537 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -16.768 12.601 30.557 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -17.501 11.936 30.515 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -16.618 12.724 31.501 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -12.895 7.394 25.639 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -12.361 7.904 26.284 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -12.283 6.698 25.322 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -19.428 4.437 21.119 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -20.286 4.272 20.717 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -19.008 5.101 20.530 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -14.208 7.191 19.390 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -13.815 6.319 19.187 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -14.649 7.457 18.554 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -17.639 6.869 22.569 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -17.821 6.760 21.615 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -17.785 5.979 22.944 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -13.156 3.512 26.015 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -13.873 4.178 25.943 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -12.809 3.633 26.924 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -18.016 6.400 19.779 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -18.417 7.045 19.153 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -17.135 6.239 19.417 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -19.292 4.731 25.753 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -18.776 4.716 24.911 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -19.324 3.806 26.022 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -11.583 7.468 31.727 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -11.284 7.119 30.858 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -11.007 7.037 32.363 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -14.883 5.180 24.306 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -15.413 5.954 24.535 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -14.186 5.529 23.718 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -12.370 7.810 21.280 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -11.560 8.205 20.884 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -12.974 7.680 20.515 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -16.352 7.198 28.477 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -17.279 6.876 28.489 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -16.162 7.419 29.420 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -19.357 10.512 24.034 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -19.944 10.142 24.736 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -19.635 11.453 23.960 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -21.168 9.345 25.728 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -22.023 9.666 26.033 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -21.174 8.391 25.955 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -19.735 13.229 23.618 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -19.901 14.123 23.983 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -18.769 13.216 23.459 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.752 7.800 31.070 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -14.941 8.353 30.977 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -15.624 7.331 31.899 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -18.285 10.054 19.833 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -18.889 9.667 20.510 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -17.876 10.823 20.291 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -21.883 13.621 21.936 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -21.240 13.247 22.573 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -21.582 14.538 21.809 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -17.444 12.209 21.292 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -17.146 12.679 22.097 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -17.919 12.896 20.778 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -14.003 1.446 24.492 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -14.311 0.730 25.058 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -13.705 2.143 25.125 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -20.284 15.896 21.536 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -19.690 15.265 21.074 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -19.930 15.930 22.455 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -14.282 5.822 27.380 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -15.034 6.294 27.804 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -13.933 6.467 26.727 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -11.963 10.605 29.070 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -12.620 11.295 28.864 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -11.156 11.105 29.316 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -18.578 8.290 17.819 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -19.171 8.684 17.145 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -18.465 9.011 18.482 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -15.874 8.878 20.844 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -15.272 8.271 20.367 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -16.472 9.211 20.156 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -19.942 9.164 21.741 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -20.503 8.425 21.997 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -19.795 9.656 22.578 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -14.607 2.479 20.142 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -14.863 2.662 21.075 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -15.441 2.269 19.707 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -21.432 17.009 19.224 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -21.952 16.314 18.750 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -21.143 16.570 20.047 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -9.289 10.976 26.750 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -8.336 11.169 26.648 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -9.665 11.159 25.864 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -8.507 5.061 28.715 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -9.332 5.409 29.111 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -8.121 5.842 28.251 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -9.426 11.629 29.375 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -8.521 11.328 29.574 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -9.517 11.480 28.405 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -9.123 13.509 31.362 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -9.808 13.545 32.035 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -9.475 12.892 30.689 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -10.302 2.335 20.856 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -10.933 1.978 20.205 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -10.846 2.478 21.661 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -10.841 6.428 29.304 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -11.400 5.700 28.959 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -10.914 7.131 28.624 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -12.165 2.736 22.800 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -12.566 3.616 22.671 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -12.818 2.253 23.340 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -12.771 5.462 22.499 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -12.675 6.354 22.083 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -12.112 5.467 23.228 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -6.315 0.688 23.176 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -6.669 1.276 23.871 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -7.071 0.097 22.955 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -15.374 16.685 29.203 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -15.445 16.903 28.247 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -14.436 16.495 29.334 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -14.673 11.445 29.126 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -15.411 11.889 29.593 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -14.543 10.619 29.621 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -16.834 14.383 28.464 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -16.981 13.741 29.192 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -16.483 15.176 28.914 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -22.864 12.612 19.657 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -23.734 12.254 19.864 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -22.550 12.994 20.515 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -13.330 28.421 -17.296 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -13.163 27.522 -17.603 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -12.439 28.768 -17.074 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -14.497 21.909 -17.097 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -15.339 22.392 -17.286 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -14.454 21.235 -17.781 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -12.881 31.621 -18.499 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -12.941 30.694 -18.763 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -12.871 32.116 -19.355 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -15.681 31.667 -14.900 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -15.719 30.704 -15.082 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -16.462 31.833 -14.326 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -16.367 25.146 -15.563 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -16.731 25.882 -15.040 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -15.434 25.107 -15.297 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -12.870 24.076 -16.487 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -13.328 23.261 -16.785 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -11.917 23.865 -16.580 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -16.816 18.922 -15.352 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -17.163 18.197 -15.912 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -16.134 18.484 -14.783 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -10.852 29.371 -16.470 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -10.196 28.865 -15.939 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -11.325 29.918 -15.808 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -12.693 13.775 -15.517 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -12.592 14.218 -16.366 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -13.145 14.441 -14.949 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -10.411 32.894 -18.107 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -10.752 33.797 -18.257 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -11.213 32.336 -18.109 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -26.434 22.964 -15.409 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -27.181 22.459 -15.747 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -25.917 23.197 -16.220 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -24.889 24.695 -12.345 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -24.536 23.986 -12.922 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -24.953 24.274 -11.470 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -29.428 27.224 -6.158 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -28.681 26.608 -5.981 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -30.215 26.641 -6.186 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -14.069 22.873 -13.096 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -14.693 22.283 -13.582 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -13.226 22.369 -13.088 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -8.930 3.791 -17.559 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -8.181 3.674 -18.145 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -9.233 2.901 -17.376 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -21.748 23.575 -13.558 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -22.563 23.063 -13.747 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -21.904 24.428 -13.974 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -8.489 30.924 -14.512 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -7.625 30.957 -14.045 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -8.410 30.161 -15.102 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -12.541 30.728 -14.759 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -13.462 30.453 -14.661 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -12.602 31.625 -15.145 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -13.718 25.253 -14.270 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -13.342 24.947 -15.134 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -13.893 24.416 -13.780 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -18.924 18.933 -13.602 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -18.472 18.176 -13.168 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -18.286 19.228 -14.279 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -20.100 15.728 -15.554 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -20.391 16.214 -14.752 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -20.795 15.043 -15.685 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -24.519 17.044 -12.853 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -23.974 17.619 -13.426 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -25.201 16.704 -13.439 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.248 22.468 -13.826 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -24.425 21.606 -13.398 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -25.011 22.596 -14.434 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -27.380 24.883 -13.515 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -27.198 24.278 -14.259 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -26.539 24.906 -13.017 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -16.816 23.231 -17.450 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -16.694 23.924 -16.758 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -17.622 23.490 -17.901 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -22.919 18.828 -14.242 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -22.209 18.232 -13.893 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -22.536 19.201 -15.046 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -15.395 27.284 -11.683 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -16.192 27.244 -12.253 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -14.666 27.481 -12.313 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -19.596 23.283 -11.928 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -20.434 23.337 -12.447 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -19.116 22.551 -12.335 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -27.198 25.718 -5.546 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -26.434 26.310 -5.342 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -27.627 25.578 -4.667 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -14.628 29.892 -10.910 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -14.908 28.956 -10.931 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -13.666 29.853 -11.073 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -10.126 23.410 -11.662 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -9.485 22.676 -11.611 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -9.582 24.206 -11.523 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -17.063 27.312 -13.962 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -16.493 27.898 -14.508 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -17.822 27.871 -13.733 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -19.845 36.163 -12.089 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -20.276 36.964 -11.770 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -19.833 36.270 -13.068 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -13.576 27.846 -13.591 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -13.402 26.913 -13.873 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -12.789 28.088 -13.063 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -24.700 21.483 -1.214 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -24.066 20.914 -1.712 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -24.458 22.382 -1.465 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -19.816 28.547 -12.464 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -19.015 29.000 -12.145 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -19.605 27.590 -12.374 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -25.173 23.566 -17.719 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -25.696 24.397 -17.833 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -24.680 23.485 -18.539 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -15.989 21.169 -11.757 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -16.043 21.114 -12.733 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -15.235 20.587 -11.531 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -19.518 30.498 -8.148 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -20.143 30.759 -8.870 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -20.097 30.263 -7.405 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -20.617 33.528 -11.618 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -20.496 33.286 -12.554 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -20.492 34.499 -11.608 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -20.990 17.191 -13.320 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -20.237 17.825 -13.401 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -20.871 16.793 -12.432 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -26.670 27.536 -15.635 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -27.437 27.770 -15.071 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -26.151 28.349 -15.678 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -24.435 20.118 -12.320 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -23.780 19.782 -12.971 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -24.807 19.314 -11.928 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -17.233 29.798 -12.119 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -16.270 29.923 -12.099 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -17.575 30.642 -12.495 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -13.645 32.896 -16.212 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -14.451 32.478 -15.837 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -13.485 32.406 -17.051 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -21.160 31.187 -10.195 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -21.680 30.635 -10.813 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -20.975 32.006 -10.704 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -15.261 28.960 -15.341 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -14.849 28.851 -16.227 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -14.616 28.537 -14.728 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -19.029 25.933 -12.445 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -18.329 25.861 -13.111 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -19.219 25.004 -12.195 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -15.631 21.242 -14.569 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -15.206 21.533 -15.400 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -16.131 20.435 -14.828 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -10.191 25.719 -13.952 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -9.418 25.513 -13.374 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -10.935 25.280 -13.516 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -22.844 20.056 -2.591 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -22.838 19.083 -2.680 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -22.038 20.337 -3.058 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -19.964 33.540 -14.390 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -19.744 34.495 -14.446 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -20.427 33.359 -15.218 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -26.932 34.836 -15.666 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -27.200 33.929 -15.492 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -26.252 35.022 -14.983 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -8.022 25.112 -12.457 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -7.572 24.568 -13.129 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -7.295 25.655 -12.061 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -11.679 21.600 -13.029 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -11.013 21.474 -13.729 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -11.265 22.256 -12.424 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -13.516 19.786 -11.808 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -12.935 19.460 -11.088 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -12.923 20.338 -12.357 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -25.595 22.266 1.353 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -25.277 21.765 0.580 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -26.162 21.632 1.837 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -11.799 18.721 -9.832 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -11.440 18.949 -8.947 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -12.190 17.847 -9.711 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -24.648 22.457 -10.632 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -23.688 22.519 -10.551 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -24.789 21.657 -11.179 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -30.622 23.695 -8.342 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -29.778 23.656 -7.833 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -30.802 22.779 -8.569 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -28.365 23.593 -6.850 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -27.688 23.212 -7.457 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -27.908 24.362 -6.438 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -10.391 19.214 -7.444 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -10.612 18.461 -6.851 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -10.266 19.971 -6.834 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -23.053 14.879 -11.855 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -23.623 15.613 -12.160 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -22.321 15.327 -11.388 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -14.016 13.282 -12.280 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -13.969 13.367 -11.295 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -13.154 12.917 -12.527 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -22.393 29.539 -12.004 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -22.911 28.809 -12.370 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -21.456 29.280 -12.181 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -17.996 16.435 -12.935 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -17.357 16.038 -13.553 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -18.128 15.741 -12.246 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -17.822 32.211 -13.240 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -17.613 32.975 -12.660 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -18.622 32.500 -13.730 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -24.137 35.097 -16.609 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -25.031 34.904 -16.930 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -24.225 35.073 -15.632 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -26.419 23.078 13.308 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -27.169 23.034 13.935 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -25.639 22.897 13.865 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -10.700 23.144 10.755 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -11.023 22.839 11.619 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -10.117 23.901 10.971 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -22.581 19.919 13.610 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -23.154 20.500 13.059 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -22.615 20.320 14.490 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -12.141 17.446 11.155 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -12.397 17.399 12.102 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -11.587 18.251 11.104 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -14.608 17.032 9.952 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -13.796 17.220 10.472 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -14.544 17.632 9.192 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -19.170 17.771 15.544 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -19.700 18.019 14.761 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -18.265 17.631 15.181 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -10.488 28.868 14.943 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -10.476 28.197 14.252 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -11.292 28.645 15.481 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -11.671 23.512 15.180 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -12.014 24.435 15.240 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -11.066 23.437 15.938 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -20.984 23.860 18.811 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -21.276 24.399 18.050 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -21.816 23.578 19.236 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -12.723 13.401 -2.376 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -13.158 13.049 -1.566 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -12.450 14.310 -2.125 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -20.236 18.649 12.955 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -20.508 18.289 12.079 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -20.997 19.206 13.228 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -21.797 25.436 16.512 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -20.846 25.300 16.323 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -21.878 26.409 16.618 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -26.596 20.898 8.111 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -25.728 21.062 8.509 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -26.917 20.094 8.569 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -27.596 16.569 3.296 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -27.456 16.948 2.392 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -28.519 16.296 3.294 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -16.808 16.211 11.459 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -17.361 17.021 11.444 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -16.046 16.438 10.892 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -21.900 26.931 19.417 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -20.942 26.767 19.534 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -22.138 27.504 20.178 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -24.462 25.154 16.060 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -24.666 24.193 16.001 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -23.483 25.187 16.141 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -9.866 26.346 16.442 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -9.664 27.290 16.407 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -10.802 26.290 16.129 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -13.845 30.485 15.495 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -14.212 30.892 16.300 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -13.444 29.632 15.815 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -21.728 19.266 16.629 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -21.887 19.489 17.565 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -20.791 19.021 16.597 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -13.751 20.550 14.622 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -14.403 21.213 14.901 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -13.214 21.012 13.943 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -16.847 29.702 12.166 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -16.460 30.246 11.439 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -16.601 28.794 11.939 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -20.877 18.098 10.359 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -20.371 18.363 9.572 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -21.782 17.942 10.019 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -28.299 34.538 18.819 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -29.017 34.542 18.156 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -28.444 33.717 19.325 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -19.925 29.674 20.106 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -20.370 30.258 19.454 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -19.013 30.042 20.176 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -15.885 32.622 19.718 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -16.422 33.329 19.317 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -15.538 32.125 18.947 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -23.917 25.028 19.059 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -23.262 25.746 19.182 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -24.291 25.197 18.179 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -25.363 22.613 15.919 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -26.327 22.646 16.052 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -25.048 21.960 16.588 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -17.883 18.672 11.534 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -18.649 18.730 12.146 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -18.185 19.121 10.737 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -19.105 22.245 19.915 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -19.738 22.785 19.389 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -19.548 22.143 20.784 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -24.538 20.722 17.727 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -24.757 19.873 17.332 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -23.797 20.519 18.334 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -22.534 32.985 1.276 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -22.774 32.291 1.940 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -21.905 32.543 0.690 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -11.052 33.509 10.329 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -10.628 33.695 11.193 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -10.312 33.474 9.698 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -15.091 32.336 22.387 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -15.361 32.480 21.456 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -14.253 32.797 22.464 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -13.584 23.977 11.719 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -14.521 24.280 11.658 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -13.252 24.054 10.814 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -10.591 33.557 13.128 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -11.074 32.800 13.527 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -9.650 33.298 13.196 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -9.534 21.162 17.368 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -10.478 20.951 17.178 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -9.514 22.141 17.411 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -12.054 20.329 16.809 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -12.529 20.432 15.959 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -11.777 19.385 16.816 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -12.137 22.053 12.971 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -12.768 22.672 12.532 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -11.851 22.542 13.786 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -16.072 25.028 11.304 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -16.483 25.233 10.460 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -16.514 25.632 11.938 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -24.541 19.788 9.898 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -25.388 19.302 9.857 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -23.870 19.113 9.680 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -24.351 21.455 12.106 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -25.215 21.891 12.167 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -24.411 20.910 11.289 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -11.047 17.792 16.945 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -10.136 18.059 16.708 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -10.947 17.331 17.801 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -26.948 18.495 9.446 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -27.759 18.125 9.810 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -26.514 17.732 8.998 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -21.689 28.143 16.973 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -21.844 27.790 17.875 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -21.599 29.093 17.104 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -21.874 33.860 18.524 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -22.519 34.170 17.858 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -21.102 34.432 18.392 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -15.828 31.743 17.125 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -16.279 31.217 16.429 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -16.327 32.581 17.150 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -12.924 17.885 13.764 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -13.381 18.690 14.081 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -13.539 17.154 13.986 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -25.828 34.077 13.308 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -25.725 34.411 12.389 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -24.917 33.825 13.575 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -16.550 30.416 14.835 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -16.779 30.200 13.907 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -15.572 30.367 14.855 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -17.089 34.209 17.677 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -16.601 34.980 17.364 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -18.022 34.511 17.704 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -11.957 15.450 9.165 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -11.267 15.702 8.516 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -11.837 16.085 9.903 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -10.247 16.392 7.173 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -9.420 16.862 7.405 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -9.947 15.653 6.601 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -23.216 17.348 9.107 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -24.120 17.149 8.790 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -22.714 16.524 8.923 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -23.706 16.697 4.856 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -22.822 16.872 5.247 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -23.549 16.706 3.900 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -19.145 16.141 17.852 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -19.892 16.548 18.334 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -18.984 16.756 17.103 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -22.464 14.848 17.982 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -22.619 13.988 18.419 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -22.355 14.623 17.040 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -18.794 22.929 25.365 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -18.370 23.679 25.818 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -18.136 22.203 25.440 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -17.129 23.126 28.239 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -17.386 22.179 28.237 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -17.537 23.479 29.035 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -19.224 26.342 27.414 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -19.620 26.988 26.793 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -19.991 25.973 27.898 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -18.118 20.605 28.024 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -19.098 20.646 28.084 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -17.886 19.785 28.508 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -22.816 19.029 27.068 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -22.881 19.133 26.102 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -23.568 18.473 27.297 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -18.657 23.646 22.742 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -18.833 23.354 23.666 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -19.550 23.761 22.354 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -16.446 24.572 26.097 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.705 24.049 26.892 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -16.455 25.505 26.415 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -15.862 17.167 26.562 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -15.040 16.663 26.340 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -15.716 18.045 26.153 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -18.600 10.643 30.629 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -19.516 10.435 30.415 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -18.198 9.784 30.820 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -14.170 27.287 25.819 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -14.773 27.336 26.583 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -14.739 26.966 25.091 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -18.062 26.256 22.390 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -18.248 25.296 22.456 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -18.361 26.498 21.489 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -16.623 27.086 27.089 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -17.504 26.830 27.439 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -16.832 27.727 26.370 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -20.882 24.684 21.534 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -21.709 24.159 21.464 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -20.572 24.755 20.613 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -20.855 21.085 25.714 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -20.883 21.026 26.691 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.239 21.827 25.536 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -16.655 21.217 25.744 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -17.092 20.970 26.586 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -15.988 20.512 25.608 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -19.754 18.599 24.866 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -20.196 19.268 25.415 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -19.141 19.124 24.305 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -18.504 20.400 23.214 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -18.254 20.050 22.338 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -19.257 20.992 23.026 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -19.936 19.011 30.556 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -20.027 18.524 31.380 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -19.149 18.616 30.127 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -20.752 21.490 22.030 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -21.635 21.877 21.908 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -20.899 20.521 21.933 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -20.845 20.422 28.389 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -20.651 19.999 29.257 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -21.597 19.895 28.030 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -22.568 19.642 24.202 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -21.887 19.102 23.764 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -22.051 20.306 24.717 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -15.698 26.151 23.811 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -15.918 25.441 24.443 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -16.564 26.402 23.422 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -9.234 21.033 24.131 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -8.398 21.050 24.610 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -9.281 21.916 23.698 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -21.378 25.249 28.773 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -21.537 24.308 28.638 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -21.910 25.473 29.543 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -22.034 28.685 21.504 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -21.676 28.133 22.230 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -21.245 29.147 21.143 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -14.282 28.143 22.542 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -13.389 28.034 22.909 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -14.787 27.394 22.919 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -12.004 27.626 24.293 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -12.744 27.471 24.934 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -11.562 28.410 24.632 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -17.537 28.523 24.992 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -17.274 29.102 24.247 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -18.498 28.648 25.069 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -20.635 26.891 23.133 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -20.924 26.080 22.660 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -19.658 26.883 23.040 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -22.942 23.117 20.784 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -23.552 23.695 20.267 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -23.473 22.324 20.986 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -20.307 28.106 25.544 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -20.498 27.575 24.739 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -21.055 28.703 25.616 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -20.763 18.755 21.693 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -20.804 17.784 21.705 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -19.921 18.950 21.221 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -14.165 22.934 26.483 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -14.904 23.571 26.408 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -14.412 22.368 27.249 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -23.651 30.363 19.878 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -22.907 30.550 19.271 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -23.285 29.715 20.510 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -23.681 20.620 21.880 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -23.329 20.283 22.736 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -24.616 20.391 21.905 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -17.303 30.321 20.397 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -16.839 31.161 20.212 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -17.071 30.122 21.335 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -16.346 29.945 22.925 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -15.928 30.833 22.965 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -15.587 29.330 22.800 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -19.143 27.064 19.976 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -18.334 27.153 19.422 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -19.449 27.992 20.097 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -16.800 28.003 18.902 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -15.918 28.109 18.528 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -16.965 28.849 19.373 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -18.433 19.645 20.556 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -17.629 19.393 20.051 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -18.678 20.521 20.187 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -10.085 23.863 17.516 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -9.813 24.719 17.104 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -10.586 24.127 18.293 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -25.417 32.391 19.744 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -24.880 31.560 19.705 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -24.959 32.934 20.399 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -10.921 25.127 23.667 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -11.249 24.587 24.419 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -11.283 26.023 23.838 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -11.615 23.249 25.569 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -12.541 23.276 25.905 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -11.183 22.593 26.124 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -9.281 23.307 22.588 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -9.788 24.037 23.028 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -8.758 23.757 21.914 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -11.833 22.351 21.948 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -11.591 21.426 21.746 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -10.977 22.787 22.122 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -14.589 19.381 25.501 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -14.009 19.322 24.729 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -13.969 19.422 26.260 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -14.303 20.953 28.390 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -13.553 20.438 28.026 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -14.359 20.675 29.307 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -11.102 17.247 21.656 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -11.988 17.495 21.318 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -10.659 18.107 21.806 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -17.773 18.093 29.081 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -16.942 17.681 29.396 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -17.883 17.743 28.183 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -13.664 15.761 26.041 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -12.841 15.737 25.505 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -13.712 14.867 26.452 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -11.919 15.663 23.874 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -11.685 14.741 23.635 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -11.464 16.207 23.203 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -19.501 15.939 24.189 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -19.698 16.869 24.450 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -18.829 15.648 24.840 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -17.012 13.582 23.638 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -16.274 14.188 23.386 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -17.284 13.907 24.523 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -22.594 19.599 19.364 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -22.755 19.861 20.289 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -22.179 18.712 19.436 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -21.515 31.163 18.345 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -21.599 32.093 18.663 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -21.641 31.237 17.375 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -25.636 43.363 -44.041 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -25.891 44.101 -43.447 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -25.313 42.665 -43.429 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -27.445 39.710 -47.959 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -27.764 39.375 -48.799 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -27.742 40.648 -47.946 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -23.401 42.839 -45.517 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -24.197 43.171 -45.049 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -23.756 42.303 -46.234 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -26.364 38.630 -45.690 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -26.979 37.900 -45.482 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -26.678 38.969 -46.559 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -20.840 46.199 -38.659 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -20.210 46.055 -39.370 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -21.451 46.878 -39.016 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -22.130 44.048 -33.643 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -21.756 44.077 -34.545 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -21.578 44.688 -33.132 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -26.250 45.253 -42.070 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -25.515 45.710 -41.614 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -26.722 44.796 -41.353 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -22.679 48.032 -39.679 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -23.156 48.818 -40.028 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -23.286 47.286 -39.875 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -30.681 45.159 -43.591 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -30.665 45.797 -44.332 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -30.378 44.321 -43.993 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -27.385 46.259 -44.568 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -27.826 47.122 -44.457 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -27.022 46.059 -43.686 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -26.929 48.041 -40.065 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -27.417 47.655 -40.824 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -27.626 48.416 -39.506 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -21.122 42.739 -44.049 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -21.960 42.770 -44.571 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -20.442 42.973 -44.687 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -31.488 40.703 -45.246 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -30.803 41.393 -45.355 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -31.502 40.534 -44.282 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -23.637 47.334 -35.742 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -23.841 46.631 -36.392 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -23.864 46.933 -34.880 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -26.982 43.849 -39.448 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -27.276 44.144 -38.560 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -26.021 43.692 -39.344 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -24.249 43.052 -39.376 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -24.481 42.096 -39.386 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -23.581 43.140 -40.077 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -24.438 37.887 -40.946 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -25.300 37.531 -41.262 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -23.933 38.031 -41.756 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -24.753 46.300 -39.924 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -24.601 45.869 -39.061 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -25.541 46.863 -39.777 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -29.039 50.791 -37.892 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -29.213 50.082 -38.541 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -28.119 51.061 -38.071 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -22.136 49.155 -37.201 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -22.519 48.429 -36.671 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -22.202 48.838 -38.124 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -23.865 45.087 -37.509 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -23.975 44.274 -38.048 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -23.031 44.934 -37.019 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -22.125 42.383 -41.561 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -21.717 42.608 -42.433 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -21.415 41.956 -41.072 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -19.683 36.444 -38.587 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -18.903 35.898 -38.723 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.001 36.632 -39.475 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -21.527 36.933 -36.608 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -22.213 37.222 -37.254 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -20.757 36.701 -37.171 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -23.422 37.715 -38.380 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -24.284 37.861 -37.932 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -23.654 37.674 -39.332 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -27.411 43.906 -46.009 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -27.437 44.849 -45.727 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -26.724 43.509 -45.431 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -25.132 40.487 -39.948 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -25.028 39.520 -40.020 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -26.105 40.621 -39.877 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -26.894 37.448 -42.072 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -27.357 36.891 -42.729 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -26.809 38.320 -42.521 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -26.588 39.848 -43.306 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -26.424 39.517 -44.224 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -25.881 40.510 -43.161 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -27.561 38.413 -39.585 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -27.436 37.988 -40.463 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -27.813 39.335 -39.799 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -24.732 49.715 -40.448 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -25.117 50.568 -40.711 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -25.507 49.129 -40.334 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -26.152 52.224 -40.551 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -25.646 53.042 -40.563 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -26.248 52.012 -39.593 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -19.613 46.629 -28.554 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -20.487 46.471 -28.971 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -19.169 47.247 -29.170 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -19.442 48.686 -30.584 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -19.502 48.573 -31.550 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -19.975 49.468 -30.406 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -20.721 47.115 -21.797 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -20.149 47.604 -21.170 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -20.784 47.705 -22.574 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -14.997 44.247 -24.856 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -15.162 43.779 -25.709 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -14.169 44.719 -25.004 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -22.350 39.258 -28.689 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -22.910 39.915 -29.145 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -22.613 38.403 -29.086 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -23.104 40.626 -24.860 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -23.682 40.239 -24.177 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -23.708 40.806 -25.608 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -24.775 40.802 -27.054 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -24.362 40.844 -27.938 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -25.458 41.494 -27.078 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -19.783 47.886 -26.097 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -18.972 47.744 -25.553 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -19.665 47.282 -26.860 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -18.782 45.696 -16.206 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -18.055 46.125 -15.705 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -18.632 45.969 -17.129 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -24.144 51.322 -32.179 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -24.626 51.396 -33.037 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -23.721 52.181 -32.075 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -19.070 38.212 -26.380 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -19.714 38.953 -26.427 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -19.021 37.885 -27.280 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -24.112 41.164 -29.758 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -25.055 41.253 -29.975 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -23.650 41.441 -30.581 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -18.255 44.559 -27.238 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -18.707 45.277 -27.733 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -18.779 43.751 -27.454 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -19.022 41.534 -16.376 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -18.072 41.320 -16.262 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -19.430 41.258 -15.533 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -15.796 43.275 -27.240 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -16.615 43.808 -27.332 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -15.890 42.581 -27.898 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -19.860 39.967 -22.472 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -20.577 39.959 -23.121 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -19.158 39.407 -22.884 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -21.004 38.356 -34.355 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -20.107 38.108 -34.123 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -21.190 37.846 -35.175 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -27.666 39.497 -30.993 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -27.160 40.330 -31.106 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -28.568 39.797 -30.726 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -15.092 47.584 -23.580 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -14.498 48.210 -23.159 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -15.001 46.765 -23.040 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -20.962 40.210 -26.570 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -21.626 40.393 -25.867 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -21.497 39.853 -27.318 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -23.326 41.905 -32.289 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -22.856 42.666 -32.700 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -23.208 41.174 -32.942 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -17.713 44.550 -24.567 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -18.008 44.547 -25.506 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -16.742 44.416 -24.623 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -23.359 36.954 -29.846 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -22.947 36.589 -30.640 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -24.274 37.188 -30.135 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -18.917 43.211 -22.525 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -18.594 43.769 -23.273 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -19.174 42.379 -22.947 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -21.958 46.902 -29.971 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -22.712 46.296 -30.152 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -22.264 47.773 -30.323 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -21.457 45.938 -18.306 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -21.858 45.624 -19.140 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -20.499 45.956 -18.494 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -20.891 41.284 -18.379 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -20.727 42.025 -19.017 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -20.206 41.409 -17.686 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -14.989 45.227 -22.234 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -15.718 44.957 -21.636 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -15.094 44.654 -23.016 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -21.278 49.206 -27.946 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -20.825 48.753 -27.200 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -21.251 48.557 -28.667 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -24.050 45.327 -30.748 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -24.968 45.635 -30.564 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -24.087 44.372 -30.611 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -22.786 49.372 -30.777 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -23.004 49.880 -29.972 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -23.217 49.876 -31.497 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -17.609 47.338 -24.578 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -16.657 47.500 -24.372 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -17.725 46.379 -24.423 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -20.606 39.064 -19.967 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -20.690 39.931 -19.529 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -20.453 39.285 -20.909 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -21.376 45.115 -36.215 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -21.092 45.356 -37.128 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -21.035 45.830 -35.668 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -20.791 46.082 -32.393 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -21.061 46.288 -31.479 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -20.438 46.927 -32.733 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.632 42.293 -27.860 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -20.007 42.063 -28.716 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -20.004 41.623 -27.248 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -15.057 40.456 -19.530 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -14.691 40.541 -20.415 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -16.013 40.644 -19.646 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -19.958 48.535 -33.417 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -19.185 48.764 -33.949 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -20.706 48.904 -33.910 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -23.593 36.068 -34.934 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -23.916 35.326 -35.452 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -22.781 36.351 -35.402 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -16.934 47.127 -14.720 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -17.314 48.034 -14.739 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -16.337 47.137 -13.969 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -24.381 45.632 -33.565 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -23.687 44.969 -33.769 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -24.249 45.826 -32.620 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -21.469 46.207 -15.606 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -20.523 45.969 -15.509 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -21.641 46.094 -16.568 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -23.239 39.907 -34.140 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -23.427 40.102 -35.091 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -22.389 39.405 -34.164 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -20.601 43.040 -20.367 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -19.993 43.119 -21.131 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -21.245 43.771 -20.499 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -23.770 40.093 -36.790 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -24.657 39.737 -36.987 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -23.189 39.628 -37.407 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -17.175 44.391 -20.716 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -17.802 44.025 -21.377 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -17.333 43.855 -19.914 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -17.747 40.951 -19.879 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -17.966 41.759 -19.363 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -18.392 40.949 -20.604 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -18.069 38.440 -23.875 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -17.262 37.922 -23.898 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -18.447 38.338 -24.781 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -22.219 45.133 -20.809 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -23.127 45.414 -21.053 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -21.635 45.801 -21.252 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -23.451 37.607 -17.527 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -23.429 37.969 -16.622 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -23.786 36.697 -17.412 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -16.278 36.139 -16.867 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -16.087 36.922 -16.305 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -16.921 36.463 -17.515 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -26.382 36.011 -21.844 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -26.640 36.339 -22.742 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -26.799 35.146 -21.786 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -28.138 52.191 -30.899 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -28.900 51.898 -30.372 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -27.368 51.773 -30.465 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -25.749 51.020 -29.929 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -25.375 51.019 -30.833 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -24.958 51.012 -29.346 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -23.692 39.284 -15.396 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -23.007 39.386 -14.699 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -24.474 38.974 -14.910 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -8.474 33.535 -15.325 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -8.674 32.652 -14.947 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -8.102 33.340 -16.193 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -24.229 36.143 -27.345 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -23.765 35.308 -27.217 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -23.843 36.508 -28.171 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -12.495 33.132 -20.724 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -12.039 33.233 -21.564 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -12.244 33.937 -20.216 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -29.593 40.338 -34.580 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -28.843 39.754 -34.343 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -30.016 39.882 -35.342 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -18.724 46.014 -18.985 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -18.136 45.637 -19.671 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -18.892 46.935 -19.295 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -18.462 49.265 -22.769 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -18.059 48.555 -23.307 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -19.400 49.266 -23.044 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -17.583 51.811 -22.814 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -17.851 50.865 -22.722 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -17.195 52.031 -21.950 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -23.442 50.258 -24.192 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -23.061 50.979 -23.635 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -23.953 50.736 -24.878 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -23.343 50.971 -28.547 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -22.647 50.406 -28.148 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -23.230 51.836 -28.104 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -20.974 48.972 -23.817 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -20.674 48.644 -24.691 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -21.830 49.411 -24.007 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -25.863 37.520 -30.701 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -26.583 38.189 -30.663 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -25.616 37.494 -31.650 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -27.559 38.737 -33.642 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -27.648 38.946 -32.693 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -26.661 38.358 -33.717 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -24.921 37.875 -33.321 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -24.509 37.132 -33.824 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -24.372 38.655 -33.561 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.328 39.031 -20.603 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.563 39.335 -21.507 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -23.887 38.160 -20.754 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -23.692 36.525 -21.426 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -24.636 36.312 -21.583 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -23.227 36.079 -22.138 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -24.609 50.061 -36.583 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -24.668 49.156 -36.226 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -23.704 50.104 -36.964 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -16.390 34.655 -14.506 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -15.888 33.853 -14.706 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -16.421 35.138 -15.356 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -13.812 41.204 -8.046 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -13.255 40.415 -8.188 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -14.336 41.274 -8.867 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -15.825 40.648 -6.098 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -15.228 40.991 -6.788 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -15.375 40.880 -5.257 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -15.186 38.500 -8.399 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -14.207 38.444 -8.435 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -15.408 39.173 -9.069 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -14.471 39.560 -12.851 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -13.940 40.096 -13.485 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -13.830 38.880 -12.527 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -15.325 40.607 -10.349 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -14.899 40.238 -11.150 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -16.107 41.062 -10.688 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -18.178 43.250 -18.370 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -18.534 44.157 -18.305 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -18.503 42.808 -17.558 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -12.049 44.121 -2.249 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -12.510 44.833 -2.748 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -11.427 43.730 -2.908 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -13.424 37.310 -4.994 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -13.740 37.097 -4.092 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -12.863 36.544 -5.239 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -24.465 49.184 -10.265 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -25.167 49.865 -10.236 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -24.820 48.460 -9.721 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -16.641 46.621 -3.903 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -17.383 47.192 -4.188 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -17.051 45.729 -3.805 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -21.573 46.626 -3.778 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -21.376 45.691 -3.916 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -22.126 46.636 -2.961 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -19.786 45.589 -10.532 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -18.877 45.612 -10.224 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -19.925 46.471 -10.937 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -18.736 46.989 -1.455 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -18.893 47.417 -2.316 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -17.780 47.097 -1.305 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -18.336 38.559 -18.484 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -17.915 39.307 -18.948 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -19.197 38.453 -18.942 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -16.919 40.725 -13.522 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -16.133 40.248 -13.196 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -16.667 41.013 -14.422 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -18.891 41.815 -1.649 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -18.879 42.657 -1.158 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -17.982 41.461 -1.546 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -23.369 41.837 -13.066 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -23.860 42.068 -12.252 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -23.347 42.657 -13.570 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -29.858 38.119 -7.598 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -29.797 38.000 -8.573 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -28.975 37.858 -7.272 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -26.309 41.816 -12.154 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -26.354 42.036 -11.201 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -26.108 42.663 -12.582 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -24.341 37.614 -13.066 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -25.141 38.134 -12.807 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -23.593 38.209 -12.861 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -17.426 34.678 -11.980 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -16.966 34.841 -12.834 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -18.189 35.292 -11.998 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -19.985 48.133 -11.539 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -19.465 48.373 -12.315 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -20.878 48.499 -11.724 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -13.555 45.969 -3.708 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -14.520 46.058 -3.776 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -13.214 46.576 -4.370 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -18.345 38.428 -15.765 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -18.362 38.501 -16.750 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -17.388 38.427 -15.542 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -17.987 44.300 -3.300 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -18.280 43.431 -3.601 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -18.323 44.360 -2.388 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -15.646 38.310 -15.289 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -15.285 38.427 -14.391 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -15.019 38.797 -15.865 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -15.920 46.917 -1.297 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -15.777 47.885 -1.189 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -16.010 46.796 -2.269 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -9.858 37.590 -13.524 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -9.347 37.133 -14.232 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -9.192 38.154 -13.076 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -14.133 41.110 -3.948 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -14.362 41.723 -3.219 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -13.364 40.601 -3.600 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -19.146 47.896 -4.168 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -19.990 47.425 -4.000 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -19.320 48.407 -4.983 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -22.434 52.244 -16.017 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -23.346 51.890 -15.938 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -22.444 53.061 -15.472 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -16.233 38.803 -3.175 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -15.597 38.236 -2.713 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -16.337 39.581 -2.582 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -20.807 49.116 -17.398 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -20.618 49.394 -16.484 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -21.589 48.539 -17.313 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -23.355 47.373 -14.050 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -23.928 46.633 -13.814 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -22.595 46.949 -14.523 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -12.108 37.807 -17.064 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -12.620 36.981 -16.935 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -11.192 37.497 -17.214 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -20.631 50.531 -14.882 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -20.838 50.786 -13.967 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -21.252 51.068 -15.421 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -19.561 40.074 -13.981 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -18.745 40.412 -13.552 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -19.233 39.394 -14.609 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -23.635 48.560 -16.563 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -24.000 49.460 -16.439 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -23.561 48.204 -15.654 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -22.140 39.433 -13.150 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -22.536 40.330 -13.022 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -21.194 39.616 -13.345 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -13.719 34.043 -7.196 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -13.654 34.803 -7.781 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -13.068 34.229 -6.488 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -23.087 46.448 -1.529 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -23.241 47.366 -1.225 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -23.931 45.985 -1.324 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -18.042 49.622 -14.792 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -17.706 50.182 -15.499 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -18.999 49.836 -14.754 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -21.653 44.138 -1.491 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -20.713 44.294 -1.265 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -22.067 45.024 -1.426 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -16.196 41.374 -16.156 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -15.526 40.797 -16.577 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -15.963 42.263 -16.454 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -14.989 44.782 0.062 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -15.323 45.566 -0.440 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -14.140 45.072 0.416 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -17.231 43.755 1.217 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -16.422 44.182 0.852 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -17.007 42.797 1.231 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -14.359 42.747 -1.713 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -14.725 43.385 -1.065 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -13.483 43.124 -1.944 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -24.989 50.958 -16.063 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -25.504 51.419 -16.741 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -25.660 50.474 -15.541 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -28.847 51.160 -11.612 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -29.364 50.962 -10.808 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -28.939 50.349 -12.161 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -10.496 39.133 -10.448 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -10.309 40.102 -10.478 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -9.686 38.729 -10.816 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -14.101 39.652 -17.125 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -14.351 39.902 -18.050 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -13.366 38.998 -17.242 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -12.452 38.770 -8.538 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -11.761 38.896 -9.227 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -11.955 38.831 -7.685 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -11.835 39.900 -3.063 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -11.282 39.110 -3.201 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -11.524 40.259 -2.204 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -10.943 40.432 -0.526 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -10.114 40.207 -0.055 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -11.648 40.044 0.035 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -11.746 35.185 -19.043 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -12.514 35.355 -18.454 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -11.056 35.795 -18.714 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -12.767 40.416 -14.801 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -11.955 39.893 -14.785 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -13.106 40.304 -15.707 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -11.458 39.054 -6.077 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -12.078 38.615 -5.470 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -11.524 40.001 -5.845 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -13.617 35.490 -17.085 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -14.586 35.643 -17.101 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -13.522 34.601 -16.672 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -29.892 37.660 -10.302 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -30.580 36.976 -10.438 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -29.444 37.719 -11.156 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -15.809 49.619 -1.120 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -16.328 50.160 -0.516 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -15.291 50.254 -1.625 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -20.070 49.380 -6.432 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -19.701 50.251 -6.256 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -20.083 49.321 -7.416 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -22.483 49.197 -12.150 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -22.838 48.595 -12.842 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -23.178 49.189 -11.445 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -25.093 27.290 -13.272 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -24.924 26.452 -12.792 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -25.536 27.008 -14.091 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -24.784 31.214 -11.700 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -23.876 30.864 -11.764 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -25.264 30.769 -12.434 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -18.499 33.585 -9.696 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -17.922 33.967 -10.385 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -19.355 33.477 -10.140 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -28.916 48.814 -13.019 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -28.785 47.842 -12.992 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -28.338 49.112 -13.749 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -21.362 35.570 -16.855 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -22.291 35.264 -16.826 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -21.329 36.151 -17.630 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -19.752 36.287 -14.794 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -19.210 37.039 -15.121 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -20.355 36.083 -15.546 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -19.168 51.629 -11.042 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -19.962 51.812 -11.576 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -18.453 52.049 -11.527 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -26.153 37.881 6.668 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -26.406 38.401 7.464 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -25.975 38.565 5.984 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -27.903 40.361 11.170 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -28.509 41.072 10.939 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -27.979 40.294 12.155 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -22.023 36.823 5.327 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -21.416 36.189 5.732 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -22.909 36.405 5.430 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -15.696 34.805 8.699 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -15.335 35.704 8.806 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -14.901 34.223 8.732 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -24.721 37.325 10.052 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -23.791 37.020 9.971 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -24.811 37.997 9.361 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -16.025 31.127 9.997 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -16.403 30.546 9.278 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -15.281 31.573 9.572 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -22.223 36.084 9.591 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -21.782 35.501 10.239 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -21.478 36.500 9.109 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -24.416 44.968 4.055 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -24.168 45.907 4.011 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -25.400 44.986 4.162 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -14.097 37.356 11.334 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -13.613 36.537 11.600 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -14.102 37.893 12.132 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -16.386 39.043 4.885 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -16.705 38.822 5.780 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -16.436 40.008 4.846 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -18.291 39.417 2.239 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -17.683 38.664 2.138 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -18.938 39.110 2.918 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -14.329 42.813 3.863 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -13.456 43.133 4.163 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -14.163 41.888 3.584 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -19.047 40.079 6.267 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -18.407 39.539 6.773 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -19.788 40.231 6.902 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -16.320 41.170 1.505 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -17.062 40.608 1.824 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -15.579 40.948 2.103 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -19.570 33.185 15.788 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -18.698 33.246 15.382 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -19.626 33.977 16.356 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -16.295 40.867 -1.275 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -15.592 41.517 -1.495 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -16.277 40.821 -0.294 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -16.338 37.357 2.818 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -16.258 38.015 3.553 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -16.920 36.678 3.174 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -28.311 40.094 13.831 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -28.311 40.456 14.721 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -28.416 39.125 13.966 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -21.189 40.336 7.875 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -21.620 40.806 8.593 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -21.931 39.898 7.393 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -19.928 38.464 4.200 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -19.674 39.032 4.955 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -20.717 37.988 4.514 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -17.272 38.195 7.374 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -16.476 38.125 7.946 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -17.480 37.261 7.142 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -28.312 37.362 13.997 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -27.899 36.676 14.565 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -27.711 37.422 13.215 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -27.369 35.558 7.545 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -26.719 35.391 8.240 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -27.039 36.365 7.098 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -19.598 36.780 8.856 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -19.085 37.581 8.684 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -19.193 36.106 8.273 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -24.496 35.841 5.952 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -25.096 35.314 5.377 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -25.032 36.631 6.193 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -20.170 41.512 1.930 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -19.981 41.827 2.837 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -19.546 40.770 1.805 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -14.892 37.596 8.759 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -14.130 38.079 8.424 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -14.713 37.510 9.730 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -19.975 34.978 11.006 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -19.770 35.727 10.418 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -19.374 34.273 10.706 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -17.021 43.341 3.915 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -17.083 43.598 2.975 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -16.055 43.235 4.068 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -19.402 42.225 4.509 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -18.480 42.565 4.412 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -19.315 41.477 5.138 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -23.598 34.665 16.466 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -23.560 34.257 15.575 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -24.484 34.419 16.803 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -21.612 46.951 4.080 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -21.051 46.204 3.781 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -21.216 47.223 4.914 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -20.056 44.731 3.491 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -19.971 43.876 3.972 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -19.190 44.852 3.076 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -12.636 35.187 12.078 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -11.991 34.833 12.721 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -12.518 34.625 11.297 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -17.766 35.496 7.119 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -17.971 34.665 6.637 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -16.994 35.254 7.683 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -18.087 32.880 6.315 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -18.574 32.036 6.501 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -17.265 32.579 5.892 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -23.133 39.128 6.433 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -22.749 38.367 5.954 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -23.948 39.337 5.935 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -23.987 47.898 3.209 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -24.109 48.620 3.832 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -23.068 47.584 3.380 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -27.084 45.354 4.224 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -27.896 45.226 4.717 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -27.357 45.884 3.442 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -19.058 44.435 -0.677 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -18.511 44.275 0.127 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -18.997 45.412 -0.820 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -21.434 40.862 -1.510 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -20.495 41.131 -1.645 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -21.423 39.890 -1.613 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -10.996 43.082 0.065 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -11.380 43.638 -0.648 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -11.076 42.166 -0.280 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -18.657 37.078 19.551 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -18.546 36.785 20.462 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -18.653 38.040 19.608 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -21.813 36.664 16.765 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -22.512 35.982 16.651 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -22.227 37.478 16.463 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -21.743 31.595 15.651 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -21.492 30.820 15.103 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -20.921 32.148 15.682 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -19.589 35.408 17.591 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -20.334 35.910 17.173 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -19.255 36.019 18.289 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -25.529 47.773 0.940 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -24.949 47.798 1.735 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -25.033 48.287 0.267 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -11.734 43.604 4.577 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.603 44.540 4.763 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -11.167 43.145 5.243 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -10.014 42.204 6.152 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -9.097 41.986 6.336 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -10.399 41.363 5.814 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -10.832 41.819 2.605 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -10.916 42.313 1.765 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -11.154 42.450 3.282 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -14.027 40.197 3.068 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -13.520 39.966 2.262 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -13.757 39.520 3.720 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -25.708 34.789 10.613 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -25.159 34.474 9.860 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -25.563 35.759 10.621 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -25.912 31.719 3.421 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -26.250 31.534 2.536 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -24.949 31.489 3.365 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -28.057 33.352 10.605 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -27.240 33.896 10.559 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -28.785 34.008 10.539 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -18.026 33.067 9.964 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -17.410 32.319 10.115 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -17.484 33.724 9.499 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -13.312 33.423 8.694 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -12.505 33.403 9.244 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -12.999 33.153 7.797 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -10.036 32.598 7.697 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -10.867 32.603 7.159 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -9.431 33.179 7.199 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -24.223 34.575 8.339 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -24.305 34.921 7.424 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -23.472 35.082 8.718 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -23.519 34.841 2.995 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -23.202 34.174 2.338 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -22.880 35.560 2.925 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -26.052 33.850 17.483 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -26.837 34.270 17.912 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -25.669 33.292 18.196 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -23.366 33.214 14.130 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -22.838 32.652 14.740 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -23.014 32.999 13.244 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -24.487 50.171 -3.373 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -23.692 49.935 -3.905 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -25.201 49.616 -3.758 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -11.642 31.119 13.928 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -12.524 31.038 14.355 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -11.096 30.435 14.380 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -28.812 53.012 -40.839 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -27.909 52.639 -40.905 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -29.332 52.505 -41.511 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -26.412 51.650 -37.905 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -25.766 51.014 -37.522 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -26.652 52.228 -37.153 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -22.262 52.346 -22.913 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -21.737 52.880 -23.545 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -21.875 52.557 -22.051 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -20.813 51.702 -26.854 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -20.001 51.756 -26.308 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -20.802 50.794 -27.212 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -22.993 53.234 -26.914 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -22.753 54.149 -26.663 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -22.144 52.735 -26.833 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -19.462 48.528 -19.716 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -19.195 49.419 -20.036 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -19.886 48.703 -18.848 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -23.181 55.772 -23.577 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -23.785 55.004 -23.691 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -23.580 56.279 -22.830 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -20.381 53.800 -24.288 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -20.790 54.411 -24.935 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -19.737 53.284 -24.819 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -24.958 53.648 -23.776 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -24.920 52.953 -23.080 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -24.999 53.142 -24.611 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -18.526 52.055 -25.343 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -17.796 51.637 -25.813 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -18.235 52.049 -24.397 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -21.832 55.565 -25.893 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -21.711 56.454 -26.243 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -22.343 55.701 -25.058 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -20.948 56.210 -21.832 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -20.715 55.297 -21.591 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -21.607 56.108 -22.544 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -20.014 53.540 -21.567 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -19.176 53.983 -21.314 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -20.007 53.558 -22.550 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -21.878 57.945 -19.945 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -21.225 57.981 -19.221 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -21.427 57.420 -20.649 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -17.866 58.630 -18.013 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -18.824 58.469 -17.867 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -17.705 59.479 -17.594 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -17.776 55.052 -21.028 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -17.911 55.670 -21.758 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -17.375 55.607 -20.315 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -23.786 59.550 -18.843 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -23.102 58.988 -19.273 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -24.041 60.175 -19.528 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -19.237 51.250 -20.088 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -19.719 51.916 -20.616 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -18.340 51.629 -19.992 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -24.082 56.873 -21.289 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -24.725 56.489 -20.682 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -23.388 57.240 -20.706 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -28.923 53.206 -33.281 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -28.595 52.932 -32.388 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -28.337 52.745 -33.898 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -25.447 51.607 -21.978 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -26.151 51.616 -21.293 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -25.655 50.822 -22.522 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -26.829 50.448 -27.426 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -27.759 50.150 -27.415 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -26.620 50.542 -28.374 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -25.278 51.783 -34.566 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -24.993 51.173 -35.278 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -26.038 52.262 -34.952 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -27.304 53.197 -35.751 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -28.141 53.346 -36.258 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -27.083 54.073 -35.407 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -16.854 52.626 -20.194 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -16.134 52.797 -19.578 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -17.135 53.522 -20.491 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -25.244 55.419 -7.046 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -25.382 55.302 -6.078 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -26.119 55.204 -7.441 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -19.872 49.719 -9.181 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.546 50.483 -9.700 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -19.893 48.990 -9.827 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -24.865 52.669 -11.032 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -25.391 51.971 -10.592 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -23.991 52.620 -10.599 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -16.521 56.577 -19.173 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -17.066 57.297 -18.771 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -15.615 56.849 -19.006 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -20.559 58.401 -17.477 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -20.778 57.688 -16.835 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -21.169 59.114 -17.254 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -23.904 57.132 -14.474 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -24.307 57.656 -15.204 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -24.452 57.333 -13.707 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -25.548 54.991 -4.348 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -25.278 55.452 -3.548 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -25.614 54.050 -4.072 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -21.505 56.576 -15.621 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -22.302 56.884 -15.128 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -21.202 55.802 -15.117 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -24.907 58.596 -16.568 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -25.808 58.922 -16.663 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -24.436 58.958 -17.356 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -26.631 50.861 -9.974 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -27.181 50.908 -9.178 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -27.269 50.986 -10.711 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -22.948 55.037 -8.445 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -22.364 55.637 -7.967 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -23.777 55.026 -7.905 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -22.325 52.777 -9.920 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -21.897 52.237 -9.241 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -22.524 53.627 -9.461 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -22.433 49.049 -4.825 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -21.732 49.245 -5.472 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -22.206 48.157 -4.493 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -26.792 54.596 -11.175 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -26.159 53.844 -11.230 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -26.223 55.366 -10.959 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -28.476 52.191 -6.736 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -28.976 52.614 -6.002 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -27.812 52.851 -6.981 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -29.524 47.237 -9.066 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -29.407 46.400 -8.581 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -28.971 47.869 -8.582 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -24.995 56.348 -10.020 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -24.149 55.949 -9.758 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -25.422 56.567 -9.182 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -21.677 51.812 -12.424 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -21.967 52.225 -11.578 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -22.070 50.908 -12.393 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -23.066 55.197 -17.403 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -23.906 55.646 -17.248 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -22.425 55.699 -16.863 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -22.122 54.134 -14.038 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -21.959 53.358 -13.463 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -22.808 54.633 -13.573 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -25.943 52.546 -3.184 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -26.795 52.083 -3.023 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -25.281 51.823 -3.203 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -23.867 49.032 -0.908 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -24.220 49.382 -1.756 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -23.233 49.699 -0.625 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 6.719 -9.111 12.238 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 7.282 -9.448 11.498 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 7.034 -9.614 13.016 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 3.848 -5.783 11.636 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 3.272 -6.031 10.902 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 4.726 -6.133 11.378 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 9.682 -15.099 13.631 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 8.973 -14.502 13.901 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 9.776 -14.941 12.673 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 2.072 -9.545 12.714 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 1.366 -8.892 12.737 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 2.370 -9.538 11.773 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 4.068 -7.020 8.894 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 4.877 -7.017 9.457 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 4.351 -6.604 8.074 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 9.734 -12.071 8.940 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 9.692 -12.903 8.437 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 10.680 -11.810 8.892 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 9.239 -12.724 15.233 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 10.140 -12.984 14.989 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 9.174 -12.952 16.186 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 5.897 -7.001 15.459 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 5.414 -6.967 16.301 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 5.286 -7.467 14.849 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -2.187 -8.541 20.915 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -3.095 -8.376 21.197 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -2.181 -8.280 19.970 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.847 -8.166 19.529 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -4.040 -8.155 18.967 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -5.332 -8.943 19.231 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -2.433 -7.983 18.223 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -1.730 -8.508 17.790 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -2.467 -7.149 17.697 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 9.103 -13.694 17.808 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 8.678 -14.515 17.528 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 9.638 -13.958 18.583 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 11.936 -6.638 14.394 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 12.332 -6.323 13.545 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 12.037 -7.614 14.354 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 1.194 -8.570 18.987 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 0.850 -8.914 19.841 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 0.562 -8.909 18.320 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 1.422 -10.585 15.300 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 1.689 -10.480 14.364 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 1.367 -11.560 15.429 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 2.650 -9.031 10.106 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 2.451 -9.593 9.352 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 3.141 -8.274 9.716 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -0.351 -9.105 16.773 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 0.251 -9.750 16.330 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -0.693 -8.568 16.047 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 4.469 -8.717 13.852 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 3.638 -8.971 13.398 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 5.162 -8.840 13.167 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -5.290 -1.995 20.696 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -5.718 -2.492 21.419 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -5.266 -2.634 19.951 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 0.265 -9.540 21.383 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -0.645 -9.152 21.321 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 0.113 -10.446 21.675 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 8.270 -8.310 15.222 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 7.399 -7.863 15.312 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 8.045 -9.208 14.891 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 1.081 -13.253 15.872 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 1.265 -13.737 16.685 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 0.504 -13.841 15.372 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 7.509 -10.762 14.373 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 6.694 -11.257 14.507 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 8.221 -11.414 14.572 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 8.596 -10.133 10.605 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 9.377 -10.006 11.187 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 8.914 -10.740 9.908 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 12.541 -13.138 16.419 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 13.501 -13.306 16.551 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 12.170 -14.021 16.183 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 9.820 -14.165 10.892 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 9.976 -14.664 10.070 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 9.352 -13.364 10.595 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 6.173 -6.872 10.641 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 6.396 -7.675 11.161 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 7.025 -6.385 10.574 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -7.544 -1.897 18.192 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -7.658 -1.878 17.233 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -6.897 -2.619 18.343 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -2.461 -5.793 16.555 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -1.902 -5.048 16.236 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -3.363 -5.504 16.362 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -5.465 -3.669 18.580 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -5.191 -4.513 18.988 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -5.089 -3.705 17.670 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -1.424 -3.463 15.595 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -1.499 -2.731 16.237 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -1.894 -3.133 14.807 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 3.636 -9.258 16.407 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 2.839 -9.777 16.189 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 4.048 -9.081 15.537 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 4.589 -1.617 13.599 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 3.947 -1.072 13.128 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 5.366 -1.658 12.986 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 12.262 -6.964 8.434 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 12.106 -7.278 7.517 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 13.200 -6.677 8.427 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 0.890 -3.344 23.264 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 1.315 -4.174 23.580 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 0.461 -2.978 24.065 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 2.828 -6.984 26.522 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 3.482 -6.410 26.962 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 2.433 -6.413 25.835 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 1.934 -7.804 22.719 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 2.830 -7.906 22.351 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 1.413 -8.512 22.286 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 7.689 -9.278 25.712 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 7.882 -9.016 24.793 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 7.419 -8.457 26.139 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -0.148 -7.980 28.410 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -0.767 -8.620 28.769 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 0.466 -8.519 27.862 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 0.791 -2.574 20.682 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 1.729 -2.335 20.573 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 0.732 -2.889 21.619 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -5.288 -1.555 24.489 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -5.491 -0.815 23.881 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -5.503 -1.194 25.380 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 2.889 -5.209 20.707 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 2.884 -4.265 20.915 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 1.945 -5.482 20.807 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 3.896 -8.727 19.070 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 3.994 -9.115 18.168 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 2.924 -8.676 19.197 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 0.279 -5.980 20.998 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -0.655 -5.690 21.027 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 0.354 -6.611 21.730 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 4.425 -7.354 21.471 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 4.447 -7.989 20.727 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 3.935 -6.580 21.109 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 9.735 -12.988 22.083 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 10.071 -13.513 22.839 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 9.000 -12.465 22.463 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -2.486 -4.312 23.824 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -3.327 -4.342 24.335 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -1.851 -4.774 24.387 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 2.212 -5.533 24.186 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 2.013 -6.379 23.720 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 3.140 -5.340 23.945 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -4.786 -4.102 25.308 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -4.830 -3.157 25.064 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -5.359 -4.166 26.102 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 5.256 -6.602 18.162 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 6.212 -6.820 18.245 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 4.797 -7.384 18.542 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 7.820 -8.769 22.958 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 7.805 -9.744 22.833 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 6.950 -8.477 22.648 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -2.375 -4.925 21.097 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -2.418 -4.688 22.050 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -3.297 -5.184 20.873 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -4.999 -5.657 20.482 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -5.818 -5.596 20.988 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -4.991 -6.585 20.146 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -1.507 -3.038 19.273 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -0.683 -2.833 19.767 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -1.907 -3.778 19.777 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 1.627 -9.387 26.876 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 1.934 -9.925 26.144 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 2.130 -8.542 26.782 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -6.441 -3.439 27.404 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -6.300 -3.718 28.313 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -7.177 -2.796 27.461 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 7.505 -11.552 22.850 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 7.169 -11.684 23.773 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 6.789 -11.879 22.292 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 10.482 -14.625 20.023 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 11.309 -14.898 20.484 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 10.041 -14.026 20.667 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 6.452 -11.666 25.310 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 6.909 -10.850 25.620 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 5.832 -11.872 26.015 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 4.812 -5.208 23.382 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 4.830 -6.014 22.830 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 5.400 -5.425 24.145 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -8.313 -1.404 27.652 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -8.961 -1.141 28.317 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -8.720 -1.138 26.801 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -6.449 -3.397 22.841 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -5.976 -2.781 23.440 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -6.377 -4.254 23.281 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -5.038 12.940 0.392 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -4.127 12.808 0.101 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -5.548 13.018 -0.447 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -9.834 13.957 -9.108 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -9.541 14.874 -8.954 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -9.601 13.787 -10.036 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -7.238 15.613 -6.560 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -7.202 16.518 -6.173 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -6.461 15.580 -7.158 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -4.842 17.449 0.582 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -4.752 16.882 -0.217 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -5.114 16.821 1.288 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -7.225 16.372 -10.424 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -7.636 15.732 -11.035 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -7.937 16.577 -9.782 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -9.102 16.453 -8.326 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -9.859 16.756 -7.792 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -8.469 16.094 -7.660 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.036 13.402 -2.130 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -5.253 13.282 -2.719 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -6.762 13.630 -2.750 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -3.824 13.503 -3.719 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -2.860 13.470 -3.667 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -4.000 14.044 -4.518 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -7.229 18.116 -5.579 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -8.027 18.491 -5.160 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.765 18.893 -5.956 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -6.141 16.522 -3.610 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.679 15.736 -3.837 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -6.290 17.138 -4.353 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -3.756 15.201 -5.940 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -3.808 16.150 -5.671 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -4.193 15.179 -6.808 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 2.230 3.293 15.304 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 2.871 2.874 14.694 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 1.761 3.941 14.744 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -6.975 10.866 11.686 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -7.149 11.548 11.001 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -7.220 11.308 12.524 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -7.583 5.035 8.163 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.271 4.095 8.156 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -8.445 4.999 7.732 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 1.254 4.942 13.187 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 0.692 4.456 12.537 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 0.724 5.713 13.424 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 8.737 -0.775 14.990 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 8.909 0.189 14.899 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 9.235 -1.175 14.248 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 4.202 2.376 13.694 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 4.969 2.014 13.205 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 4.077 3.268 13.307 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -6.819 2.436 8.133 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -6.189 2.170 8.839 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -6.906 1.649 7.586 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 9.232 1.859 14.371 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 8.750 2.694 14.544 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 10.137 2.028 14.699 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -6.199 1.094 12.673 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -6.070 0.987 11.717 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -6.895 1.778 12.744 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -4.042 6.366 12.114 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -3.801 6.628 11.197 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -4.529 7.147 12.460 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -5.002 1.748 10.078 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.961 2.535 10.668 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.084 1.477 9.982 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -5.461 8.629 12.809 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -5.324 8.796 13.772 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -5.793 9.480 12.467 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 6.053 -0.704 15.798 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 5.487 -1.011 15.062 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 6.953 -0.702 15.422 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 3.989 7.741 16.342 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 3.520 8.485 15.901 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 3.536 7.654 17.202 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 8.406 6.393 15.182 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 7.741 6.945 15.660 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 8.780 6.992 14.525 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -3.784 7.236 9.510 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -3.410 8.084 9.261 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -4.530 7.111 8.887 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -7.588 12.540 13.738 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -7.716 13.289 13.140 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -8.419 12.523 14.281 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -0.331 7.882 18.650 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 0.165 8.722 18.619 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -1.160 8.113 19.112 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -3.262 -2.182 13.883 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -3.478 -2.226 12.947 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -3.389 -1.239 14.116 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -4.816 3.753 11.932 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -5.623 3.760 12.472 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -4.546 4.702 11.896 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 2.733 0.608 16.121 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 2.286 1.477 16.067 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 3.316 0.594 15.349 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 6.728 -1.617 11.966 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 7.330 -0.848 12.026 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 7.003 -2.071 11.144 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -0.584 3.854 11.508 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -1.184 3.261 11.998 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -1.089 4.115 10.731 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -2.613 2.630 13.053 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -2.434 3.353 13.693 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -3.410 2.938 12.571 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 2.609 10.086 15.668 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 1.714 10.447 15.821 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 3.132 10.852 15.413 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -1.804 6.862 16.162 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -1.156 6.908 16.883 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -2.477 7.519 16.407 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -7.548 8.252 10.999 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -6.771 7.993 11.528 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -7.630 9.213 11.162 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 2.752 7.924 18.866 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 1.966 7.352 18.884 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 2.389 8.820 18.678 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 6.709 7.845 16.739 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 5.794 7.886 16.392 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 6.596 7.893 17.700 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 3.945 4.947 12.734 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 2.968 5.055 12.713 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 4.184 4.717 11.806 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -0.874 13.912 16.723 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -1.568 13.519 16.155 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -1.006 14.885 16.630 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -2.983 5.011 14.400 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -2.495 5.606 15.017 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.278 5.605 13.678 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -5.566 -0.616 16.143 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -6.490 -0.483 15.826 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -5.012 -0.185 15.456 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -10.418 16.218 19.125 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -9.497 16.541 18.987 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -10.615 16.456 20.052 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 0.594 -1.223 17.142 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 1.066 -0.437 16.814 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -0.350 -1.017 16.996 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 4.897 3.721 10.488 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 5.058 3.443 9.583 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 5.522 3.185 11.021 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 1.189 10.192 18.656 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 1.280 10.913 19.293 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 0.879 10.637 17.834 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 5.026 5.319 15.156 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 4.712 6.169 15.526 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 4.628 5.289 14.253 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -2.215 -1.375 17.232 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -2.071 -1.985 17.994 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -3.100 -1.018 17.379 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -4.900 3.125 15.195 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -4.293 3.862 14.973 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -4.402 2.330 14.965 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 4.377 -4.427 13.953 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 4.056 -4.900 13.151 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 4.185 -3.489 13.772 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.008 19.582 0.573 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.967 19.650 0.390 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.841 18.608 0.610 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -6.444 11.369 2.227 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -5.688 11.726 1.724 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -7.227 11.730 1.760 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -7.294 11.849 7.337 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.190 11.054 7.887 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -6.981 12.575 7.898 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 5.883 7.807 19.548 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 5.862 8.282 20.413 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 4.948 7.777 19.273 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -5.819 7.048 7.614 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -6.429 6.324 7.885 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -5.625 6.860 6.689 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 9.685 2.906 18.276 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 9.164 3.706 18.038 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 10.533 3.024 17.803 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 10.134 -0.655 19.660 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 9.779 -1.224 18.942 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 11.069 -0.504 19.402 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 6.513 2.266 12.200 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 6.938 2.864 12.852 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 7.203 1.596 12.005 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 7.388 4.018 14.258 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 6.480 4.257 14.528 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 7.911 4.820 14.468 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -11.723 0.174 11.799 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -11.843 -0.009 10.862 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -12.586 0.001 12.189 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -8.122 3.211 12.535 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -7.976 3.886 11.832 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -8.767 3.634 13.134 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -4.662 -3.256 16.025 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -5.056 -2.369 16.126 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -4.083 -3.167 15.245 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -5.003 9.349 15.412 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -4.580 8.966 16.210 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -5.039 10.304 15.594 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 0.203 11.429 16.405 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 0.075 12.391 16.578 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -0.654 11.139 16.056 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -10.230 18.639 13.993 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -11.108 18.223 14.099 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -10.288 19.094 13.129 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.331 12.166 15.228 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -5.490 13.016 15.657 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -6.079 12.080 14.593 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 8.380 -5.218 10.503 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 9.291 -5.235 10.176 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 8.027 -4.361 10.191 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 10.468 -2.235 10.107 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 11.060 -1.812 9.446 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 10.721 -3.185 10.079 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 7.828 -2.628 9.608 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 7.640 -2.278 8.729 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 8.755 -2.349 9.785 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -7.521 13.802 3.440 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -7.978 13.589 2.601 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -7.058 12.980 3.671 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.065 0.001 18.825 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.246 -0.760 19.418 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -5.339 -0.314 17.939 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -5.551 15.220 1.987 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -6.178 14.898 2.660 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -5.330 14.424 1.468 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 4.656 6.655 26.442 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 3.708 6.906 26.492 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 4.950 6.651 27.358 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -5.213 7.317 25.595 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -4.698 6.922 26.332 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -5.004 8.276 25.648 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -4.599 6.209 23.192 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -4.782 6.575 24.090 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -5.270 6.640 22.621 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -5.809 4.364 28.567 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -5.757 3.595 29.174 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -6.721 4.700 28.690 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -0.253 -2.214 25.497 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -0.348 -2.555 26.418 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 0.067 -1.290 25.618 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 3.131 -1.749 25.734 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 2.260 -2.133 25.580 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 3.604 -1.881 24.887 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -6.156 2.113 30.093 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -6.317 2.106 31.043 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -5.287 1.648 29.994 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.261 2.392 27.550 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -2.146 1.977 27.465 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -0.994 2.568 26.625 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 2.049 7.470 26.109 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 2.270 8.353 25.735 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 1.149 7.573 26.442 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 2.865 5.086 24.693 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 3.794 5.246 24.915 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 2.395 5.846 25.083 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 5.076 8.635 24.513 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 5.145 7.943 25.198 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 4.220 9.076 24.705 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -1.720 5.094 28.088 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -1.280 5.236 28.930 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -1.549 4.151 27.885 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -5.311 8.851 28.622 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -4.945 9.279 27.817 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -4.839 7.991 28.664 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 6.089 4.995 19.418 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 6.043 5.943 19.614 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 6.838 4.915 18.800 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 2.756 9.904 25.030 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 2.861 10.814 25.338 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 2.130 9.976 24.277 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -6.600 11.088 29.620 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -6.368 11.038 30.556 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -6.144 10.306 29.220 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -11.147 8.559 27.493 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -10.342 9.011 27.184 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -11.570 9.214 28.094 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -3.207 14.012 26.468 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -3.260 14.164 25.499 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -4.123 14.177 26.788 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -7.548 16.138 26.035 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -8.360 15.912 25.564 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -7.014 16.632 25.367 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 8.324 5.198 17.684 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 8.378 5.521 16.759 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 8.574 5.975 18.223 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -3.520 3.378 23.972 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -3.700 4.277 23.652 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -4.135 3.272 24.733 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 0.547 0.357 25.725 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 1.335 0.660 26.200 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 0.036 1.178 25.558 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -1.166 0.038 29.132 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -0.710 -0.616 28.587 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -0.977 0.889 28.696 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -12.457 4.289 28.586 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -12.794 3.890 29.396 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -13.195 4.868 28.275 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -7.585 1.738 25.563 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -7.846 2.069 26.460 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -8.273 1.071 25.349 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -0.986 2.552 24.847 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -1.865 2.855 24.527 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -0.363 2.861 24.159 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -5.284 3.343 26.046 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -5.458 3.842 26.876 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -6.162 3.009 25.780 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -4.126 6.424 27.948 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -3.220 6.036 27.955 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -4.706 5.677 28.216 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 7.688 0.919 23.716 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 8.379 0.949 23.019 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 7.846 1.725 24.240 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -2.270 11.463 25.929 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -2.538 12.331 26.290 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -1.592 11.683 25.263 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -4.539 9.913 26.224 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -5.194 10.634 26.320 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -3.684 10.383 26.073 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -5.799 14.411 27.241 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -6.375 15.049 26.762 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -6.128 14.438 28.164 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 2.927 9.105 21.435 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 3.876 9.114 21.665 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 2.889 8.606 20.599 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 5.678 9.189 21.933 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 5.563 8.860 22.862 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 6.063 10.067 22.043 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -7.077 14.037 29.661 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -6.754 13.126 29.730 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -7.802 14.083 30.328 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -0.561 12.307 23.819 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -0.071 11.491 23.599 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -0.171 12.986 23.224 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 0.905 0.421 22.988 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 0.875 0.152 23.923 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 1.128 1.376 23.024 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 0.534 -5.330 28.659 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 0.994 -5.533 29.476 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 0.223 -6.207 28.338 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.611 8.840 19.999 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -2.515 8.068 20.613 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -2.879 9.568 20.574 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -3.717 1.000 29.707 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -2.859 0.574 29.898 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -3.697 1.146 28.742 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 0.902 9.999 22.990 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 1.648 9.756 22.387 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 0.219 9.344 22.792 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 8.669 7.410 19.332 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 8.970 8.198 18.862 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 7.735 7.604 19.554 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -2.749 14.127 23.753 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -2.126 13.372 23.753 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -2.205 14.885 23.474 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 10.320 5.847 20.950 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 9.722 6.325 20.339 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 10.349 6.403 21.733 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 7.927 0.882 19.077 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 8.457 1.637 18.746 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 8.595 0.268 19.436 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 1.357 3.145 23.329 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 1.076 3.735 22.620 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 1.969 3.697 23.871 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -7.289 7.182 27.558 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -6.794 7.835 28.087 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -6.766 7.095 26.740 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 6.823 -1.435 24.747 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 5.977 -1.705 24.331 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 7.002 -0.540 24.373 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 4.549 -2.441 23.417 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 4.151 -2.203 22.567 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 4.611 -3.422 23.387 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -0.417 -2.819 28.149 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -1.018 -2.785 28.903 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 0.023 -3.699 28.235 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -8.099 2.401 28.115 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -7.492 2.189 28.856 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -8.414 3.310 28.318 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -8.228 16.443 28.676 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -7.820 15.659 29.082 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -7.917 16.422 27.749 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -6.547 11.777 26.979 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -6.659 11.638 27.942 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -6.216 12.700 26.909 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 4.626 -5.264 27.723 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 4.485 -5.464 28.655 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 4.692 -4.282 27.696 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 6.365 -5.669 25.592 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 5.733 -5.762 26.334 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 6.937 -4.922 25.862 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -5.968 -0.203 26.721 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -6.600 -0.693 27.286 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -6.495 0.539 26.363 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -9.288 -0.390 25.169 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -8.922 -0.802 24.349 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -10.222 -0.254 24.967 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -3.739 1.353 27.007 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -4.401 0.628 26.954 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -4.217 2.138 26.661 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 4.895 -2.520 27.703 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 4.280 -2.247 26.980 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 4.898 -1.768 28.306 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 0.072 14.316 22.041 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -0.031 14.186 21.069 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -0.601 14.982 22.264 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -2.892 30.944 -15.991 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -1.947 31.011 -15.811 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -3.061 31.644 -16.652 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -6.036 32.860 -17.560 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -5.808 32.914 -16.602 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -6.063 31.889 -17.744 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -3.291 33.096 -17.760 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -3.103 33.027 -18.700 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -4.272 33.102 -17.711 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -10.140 23.817 -16.078 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -9.883 23.049 -15.529 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -10.121 24.570 -15.460 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -8.872 30.642 -17.947 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -9.311 31.511 -18.044 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -9.553 30.078 -17.535 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 1.082 27.524 -11.371 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 0.617 28.389 -11.293 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 0.361 26.861 -11.302 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 0.257 24.607 -4.932 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -0.223 23.770 -4.758 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 0.795 24.413 -5.710 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 2.141 24.963 -7.978 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 1.396 25.596 -7.977 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 2.747 25.315 -8.666 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -0.103 30.076 -5.652 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -0.328 31.002 -5.434 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 0.773 29.941 -5.238 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -3.664 17.844 -5.367 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -3.107 17.937 -4.577 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -3.540 18.685 -5.841 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 0.315 26.958 -8.500 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 0.836 27.637 -8.948 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -0.279 26.609 -9.203 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -2.645 29.647 -7.866 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -2.066 30.428 -8.014 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -2.970 29.425 -8.751 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 2.028 27.906 -1.821 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 1.485 28.719 -1.853 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 1.882 27.561 -0.918 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 1.147 15.223 -3.484 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 1.759 14.603 -3.892 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 0.295 15.066 -3.955 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 3.321 26.343 -10.060 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 2.482 26.612 -10.472 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 3.997 26.681 -10.668 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 3.663 27.884 -12.437 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 2.727 27.800 -12.171 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 3.639 28.436 -13.220 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 0.450 30.140 -2.002 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 0.251 31.101 -1.947 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -0.128 29.737 -1.311 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -1.431 31.993 -8.411 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -0.617 32.165 -8.928 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -1.495 32.759 -7.802 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 0.456 32.367 -10.384 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 1.348 32.598 -10.714 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -0.124 33.040 -10.784 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -1.326 14.862 -4.598 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -1.651 15.484 -3.908 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -2.013 14.899 -5.294 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 1.918 17.900 -3.020 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 1.698 16.972 -3.229 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 1.830 17.951 -2.041 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -3.948 24.123 -9.145 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -3.995 24.848 -9.805 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -4.149 23.321 -9.653 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -1.113 25.987 -10.624 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -2.078 26.148 -10.734 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -1.044 25.012 -10.521 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 0.569 20.076 1.277 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 0.497 20.383 2.191 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -0.361 19.899 1.010 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -9.099 21.969 -14.312 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -8.864 21.599 -13.436 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -8.309 22.490 -14.567 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 0.794 20.167 -4.009 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 1.302 20.479 -4.773 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 1.281 19.360 -3.708 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -1.620 24.410 -7.800 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -1.070 23.979 -8.473 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -2.533 24.330 -8.155 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -4.325 21.489 -10.543 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -4.069 22.049 -11.305 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -4.884 20.794 -10.931 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -3.369 23.598 -12.096 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -3.019 23.791 -12.996 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -3.687 24.471 -11.775 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -2.612 20.448 -5.711 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -2.882 20.515 -6.652 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -2.081 21.253 -5.554 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -3.915 20.183 -8.126 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -4.032 20.697 -8.953 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -4.804 20.156 -7.732 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -1.032 22.275 -4.203 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -1.511 22.406 -3.356 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -0.384 21.567 -4.005 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -3.137 27.147 -13.621 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -3.318 26.915 -12.685 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -3.364 28.104 -13.679 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -1.193 30.594 -13.544 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -2.033 30.102 -13.655 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -0.808 30.226 -12.722 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 1.772 21.588 -0.717 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 1.418 20.976 -0.040 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 1.834 21.048 -1.515 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -0.781 28.828 0.024 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -1.268 28.985 0.840 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -0.125 28.141 0.262 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 0.767 25.489 -2.373 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 0.569 25.241 -3.305 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 1.207 26.359 -2.444 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -7.194 23.897 -14.901 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -6.487 24.571 -14.787 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -7.612 24.135 -15.741 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -3.869 29.778 -13.739 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -3.759 30.121 -14.657 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -4.664 30.252 -13.401 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -7.197 28.633 -13.066 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -6.717 29.479 -12.929 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -6.694 27.979 -12.524 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 1.301 17.914 -0.363 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 0.658 17.212 -0.175 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 1.138 18.580 0.331 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -0.352 29.838 -11.050 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -1.299 29.952 -10.806 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 0.070 30.675 -10.757 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -1.105 23.244 -10.354 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -0.733 22.356 -10.380 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -1.890 23.195 -10.934 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -1.756 18.976 -3.581 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -0.815 19.239 -3.552 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.148 19.576 -4.253 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -2.863 30.831 -10.476 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -2.608 31.458 -9.770 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -3.686 31.223 -10.859 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -8.998 28.045 -14.983 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -9.480 27.247 -14.675 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -8.333 28.214 -14.270 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -8.325 21.247 -11.792 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -7.383 21.021 -11.818 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -8.692 20.652 -11.102 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -5.237 16.054 -8.393 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -5.794 16.012 -9.197 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -4.787 16.906 -8.461 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -6.784 27.340 1.921 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -6.743 26.367 2.056 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -6.227 27.488 1.122 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 1.132 26.892 0.618 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 1.373 25.973 0.387 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 1.128 26.896 1.604 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -6.188 30.180 -17.813 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -7.152 30.248 -17.991 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -6.091 29.319 -17.356 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -1.626 25.116 0.806 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -1.617 24.141 0.717 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -0.756 25.393 0.475 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 2.208 22.664 -6.566 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 2.115 23.455 -7.145 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 3.154 22.558 -6.466 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -5.608 26.074 -14.379 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -5.799 26.259 -13.427 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -4.674 26.335 -14.482 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -2.381 24.660 -14.433 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -2.513 25.599 -14.175 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -2.185 24.698 -15.372 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 1.248 24.195 -0.071 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 1.488 23.265 -0.306 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 1.068 24.620 -0.949 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -2.178 16.451 -2.587 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -3.069 16.362 -2.187 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -2.083 17.417 -2.757 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -0.203 15.391 -1.060 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.913 15.705 -1.663 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 0.546 15.208 -1.655 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -4.659 15.804 -1.532 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -4.991 14.889 -1.515 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -5.136 16.213 -2.296 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -1.593 16.892 0.688 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -2.474 16.518 0.804 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -1.101 16.203 0.190 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 0.697 34.005 -15.804 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 0.866 34.784 -16.340 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 0.001 34.294 -15.170 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -6.570 27.841 -16.336 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -7.502 27.902 -16.070 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -6.174 27.241 -15.679 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -9.058 19.394 -9.908 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -9.215 19.270 -8.950 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -9.899 19.119 -10.319 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 3.497 32.230 -4.096 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 3.922 32.253 -4.956 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 3.040 31.361 -4.077 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 2.180 29.815 -4.050 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 1.527 30.009 -3.337 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 2.562 28.961 -3.791 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -0.136 32.806 -2.000 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 0.750 33.243 -2.003 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -0.703 33.415 -1.474 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -1.067 32.407 -4.532 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -0.733 32.533 -3.614 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -1.859 31.853 -4.424 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -6.419 19.229 -10.748 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -7.316 19.313 -10.366 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -6.310 18.272 -10.874 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -1.164 34.703 -13.958 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -0.752 34.949 -13.098 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -1.869 34.061 -13.707 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -4.668 20.116 0.012 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -4.961 20.294 -0.906 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -4.865 19.158 0.150 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -11.732 25.730 12.870 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -12.461 25.173 12.534 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -11.992 25.929 13.801 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -2.726 23.616 4.654 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -2.578 24.021 5.544 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -3.659 23.332 4.674 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -1.964 25.975 3.433 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -1.970 25.763 2.475 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -2.297 25.159 3.860 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -5.481 23.934 7.047 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -5.467 23.613 6.121 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -6.343 23.662 7.378 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -5.594 22.942 4.451 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -6.543 23.034 4.265 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -5.261 22.358 3.731 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -7.581 28.094 8.715 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -6.845 28.413 8.181 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -8.128 28.892 8.871 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -10.477 30.958 11.374 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -10.960 31.698 10.964 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -10.957 30.798 12.215 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -3.893 32.845 4.413 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -3.978 33.392 3.621 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -4.747 32.972 4.884 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -8.323 19.714 9.208 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -7.943 20.224 9.929 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -9.217 20.105 9.083 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -2.549 22.544 -1.894 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -2.152 22.555 -0.999 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -3.235 21.865 -1.842 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -7.757 17.466 7.826 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -7.994 18.210 8.433 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -7.101 17.847 7.233 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -4.332 21.705 2.311 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -3.379 21.864 2.280 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -4.507 21.141 1.528 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -0.768 22.325 3.195 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -1.410 22.724 3.825 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 0.027 22.889 3.272 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -7.480 14.721 8.099 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -7.486 15.698 8.146 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -7.898 14.523 7.234 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -2.455 24.985 6.961 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -2.578 25.944 6.877 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -3.034 24.735 7.696 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -7.177 25.721 10.003 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -7.428 26.544 9.529 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -7.944 25.536 10.580 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -3.159 27.681 7.325 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -3.764 27.111 7.866 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -2.452 27.924 7.939 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -4.711 25.945 8.696 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -5.436 25.952 9.359 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -4.983 25.246 8.058 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -4.874 29.809 7.076 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -4.353 28.983 7.118 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -4.189 30.520 7.017 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -8.607 18.843 16.183 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -9.017 18.811 15.287 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -8.773 19.761 16.488 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -5.066 28.056 -0.013 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -4.517 27.353 -0.425 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -4.750 28.883 -0.426 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -4.899 30.763 -0.586 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -4.930 31.686 -0.249 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -4.779 30.870 -1.557 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -2.794 28.355 4.567 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -2.944 28.092 5.492 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -2.466 27.538 4.135 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -6.186 30.655 4.809 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -6.360 31.545 5.164 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -5.757 30.183 5.552 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -1.702 22.302 0.696 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -1.763 21.338 0.520 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -1.253 22.354 1.572 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 0.801 26.361 3.252 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 1.081 25.428 3.296 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -0.132 26.346 3.544 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -3.618 25.878 -0.947 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -2.926 25.783 -0.260 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -3.658 25.010 -1.360 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 1.547 23.759 2.653 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 1.400 23.895 1.689 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 2.457 23.445 2.710 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -2.510 12.254 15.220 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -2.300 11.974 14.323 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -3.481 12.147 15.282 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -8.040 17.347 18.503 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -7.889 17.725 17.610 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -7.161 17.014 18.779 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -1.179 16.608 16.879 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -1.100 16.927 17.802 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -1.214 17.412 16.352 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -0.399 14.506 19.378 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -0.515 14.171 18.465 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -0.632 15.450 19.315 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -3.527 30.411 2.947 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -3.195 29.651 3.477 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -3.372 31.184 3.517 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -8.899 30.519 9.113 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -9.356 31.176 8.540 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -9.431 30.509 9.935 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -9.266 25.253 11.852 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -8.757 25.199 12.669 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -10.167 25.531 12.149 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -8.949 19.705 19.658 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -9.088 20.287 18.879 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -8.569 18.889 19.279 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -10.747 20.970 9.140 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -10.738 21.886 9.508 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -11.600 20.917 8.646 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -13.080 20.749 7.741 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -13.229 21.281 6.940 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -13.208 19.830 7.451 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -12.942 17.689 7.605 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -12.975 16.857 8.107 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -12.039 17.710 7.250 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -10.910 19.898 11.649 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -11.374 20.608 12.143 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -10.826 20.256 10.740 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -8.309 32.067 12.754 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -8.928 31.577 12.181 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -7.726 31.389 13.107 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -6.578 31.771 7.974 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -5.959 31.020 7.877 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -7.311 31.410 8.505 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -7.884 13.045 10.197 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -8.846 13.020 10.152 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -7.633 13.752 9.557 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -5.839 16.085 19.903 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -5.903 15.126 19.876 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -5.309 16.266 20.702 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -12.380 19.375 27.190 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -12.022 19.407 26.276 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -11.666 18.936 27.711 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -4.302 16.087 22.363 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -4.233 15.198 22.757 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -3.394 16.442 22.427 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -11.623 19.662 24.528 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -10.794 20.183 24.577 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -11.678 19.398 23.598 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -10.420 19.919 21.876 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -9.871 19.899 21.048 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -9.811 20.266 22.558 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -1.075 17.473 25.273 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -1.097 16.810 26.005 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -0.918 18.309 25.720 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -1.513 16.479 22.838 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -0.770 16.910 22.370 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -1.454 16.841 23.760 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -10.231 18.332 28.577 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -9.655 17.533 28.563 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -9.785 18.929 29.185 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -6.296 17.282 23.903 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -6.715 17.776 23.194 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -5.527 16.853 23.473 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -1.255 15.741 27.333 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -1.944 15.095 27.060 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -1.011 15.463 28.218 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -0.946 17.283 19.539 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -1.632 17.814 19.961 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -0.192 17.320 20.167 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 0.894 17.099 21.620 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 1.660 17.584 21.952 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 1.134 16.162 21.741 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -9.694 36.400 -17.533 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -9.061 35.823 -18.022 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -9.279 36.506 -16.652 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -8.109 34.403 -18.516 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -7.267 33.953 -18.294 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -8.767 33.685 -18.526 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -5.198 32.870 -15.015 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -4.283 32.908 -14.669 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -5.646 32.221 -14.429 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -10.463 42.742 -4.003 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -9.800 42.046 -3.965 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -11.053 42.470 -4.741 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -12.247 38.108 -12.308 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -11.743 38.547 -11.594 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -11.554 37.805 -12.934 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -6.823 41.107 -11.286 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -6.158 41.628 -11.748 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -6.368 40.814 -10.456 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -3.470 36.293 -8.831 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -3.803 35.690 -8.141 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -3.924 35.988 -9.646 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -8.020 38.687 -11.831 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -7.597 39.558 -11.681 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -7.266 38.055 -11.861 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -4.713 38.983 -6.679 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -4.752 38.037 -6.426 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -3.986 39.025 -7.333 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -1.815 34.004 -6.598 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -2.775 33.754 -6.564 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -1.426 33.561 -5.809 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 2.400 33.762 -2.142 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 2.783 33.255 -2.895 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 3.165 34.070 -1.652 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -5.452 40.230 -9.142 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -4.545 39.878 -9.235 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -5.713 39.971 -8.244 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -2.992 38.957 -8.850 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -2.065 39.056 -9.090 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -3.156 37.986 -8.916 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -5.550 40.282 -4.475 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -5.443 41.231 -4.571 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -5.206 39.913 -5.320 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -8.215 36.207 -15.162 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -8.431 35.243 -15.178 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -7.251 36.229 -14.992 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 2.396 33.580 -11.922 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 3.295 33.780 -12.204 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 2.022 33.047 -12.668 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -8.816 35.860 -11.473 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -9.261 36.435 -12.120 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -7.865 36.049 -11.604 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -6.232 36.611 -12.057 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -5.935 36.324 -12.951 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -5.742 36.020 -11.442 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -0.062 34.932 -11.465 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 0.893 34.731 -11.462 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -0.269 35.147 -10.527 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -8.058 37.773 -1.734 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -7.407 37.751 -2.473 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -8.925 37.734 -2.182 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 1.277 32.102 -13.913 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 1.145 32.670 -14.704 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 0.477 31.545 -13.883 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -3.121 35.313 -15.818 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -2.343 35.214 -15.234 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -3.039 34.582 -16.455 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -8.897 40.134 1.347 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -8.418 40.897 0.952 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -9.459 40.541 2.035 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -6.382 37.763 -3.881 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -6.117 38.701 -4.014 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -5.885 37.276 -4.561 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -4.862 36.330 -5.877 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -4.208 35.798 -5.404 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -5.182 35.730 -6.593 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -5.642 37.682 0.576 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -6.580 37.489 0.792 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -5.689 38.151 -0.269 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -3.273 30.803 -5.520 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -3.646 31.652 -5.869 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -3.086 30.276 -6.335 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -8.363 37.421 0.928 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -8.585 38.335 1.216 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -8.331 37.483 -0.057 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -4.697 31.227 -3.275 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -5.327 31.861 -3.632 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -4.154 30.969 -4.051 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -5.302 33.345 0.287 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -6.179 33.719 0.514 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -4.674 34.051 0.531 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -9.480 41.595 -10.849 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -9.579 42.543 -10.951 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -8.528 41.432 -11.019 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -12.261 41.749 -5.822 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -12.981 41.657 -5.163 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -12.730 41.811 -6.679 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -0.918 35.280 -8.867 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -1.000 34.874 -7.979 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -1.771 35.737 -8.995 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -5.027 34.774 -10.422 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -5.256 34.584 -9.476 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -4.899 33.884 -10.820 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -5.560 35.568 -14.524 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -5.675 34.602 -14.620 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -4.704 35.747 -14.974 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -2.966 32.793 -13.318 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -3.631 32.585 -12.618 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -2.411 31.990 -13.366 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -10.983 40.074 4.797 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -11.622 39.342 4.688 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -10.974 40.515 3.925 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -2.007 34.503 -0.906 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -2.475 34.875 -0.133 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -2.644 34.571 -1.621 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -10.935 36.283 3.457 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -10.090 36.324 2.992 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -10.933 35.392 3.886 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -12.803 38.040 4.452 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -13.148 37.511 5.179 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -12.176 37.432 3.988 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -5.972 35.173 3.517 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -5.968 34.813 4.419 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -5.461 36.007 3.585 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -8.256 42.535 0.169 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -7.775 43.179 -0.358 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -9.177 42.866 0.174 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -3.825 35.624 0.950 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -4.453 36.293 0.605 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -3.630 35.930 1.849 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -4.474 37.477 3.077 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -4.911 37.651 2.214 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -4.147 38.339 3.354 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -8.726 34.411 5.933 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -9.557 34.159 5.446 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -8.871 35.328 6.185 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -6.273 33.315 5.762 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -7.176 33.711 5.713 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -6.249 32.899 6.658 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -3.108 31.843 6.877 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -3.175 32.212 5.972 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -2.586 32.491 7.359 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -7.490 34.696 1.280 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -7.917 35.556 1.113 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -7.021 34.825 2.135 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 23.782 -13.727 4.847 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 23.769 -14.240 4.036 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 24.314 -12.959 4.637 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 11.824 -12.525 11.856 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 11.118 -13.154 11.591 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 12.390 -13.052 12.479 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 23.050 -7.572 12.654 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 23.586 -7.140 11.959 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 22.124 -7.440 12.354 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 10.044 -14.751 8.011 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 10.862 -14.689 7.503 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 9.485 -15.344 7.492 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 20.848 -4.454 10.574 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 20.164 -3.874 10.976 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 21.132 -3.972 9.773 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 21.155 -16.072 10.539 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 21.246 -17.002 10.791 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 20.916 -15.621 11.379 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 13.472 -13.961 13.328 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 13.445 -14.584 14.062 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 14.432 -13.850 13.137 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 17.684 -9.301 10.545 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 17.697 -10.245 10.290 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 18.488 -8.932 10.132 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 22.510 -9.295 8.408 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 23.373 -8.957 8.146 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 22.722 -10.068 8.991 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 24.501 -6.793 14.783 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 24.064 -7.136 13.971 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 25.047 -6.041 14.462 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 17.742 -3.011 9.746 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 18.134 -3.083 10.646 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 17.338 -2.140 9.734 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 19.983 -8.492 9.149 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 20.936 -8.712 9.047 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 19.560 -8.938 8.391 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 20.829 -13.402 15.164 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 20.535 -12.648 14.620 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 21.092 -12.994 16.008 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 19.381 -15.613 8.468 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 18.803 -16.379 8.422 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 19.998 -15.823 9.200 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 20.173 -10.579 7.256 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 20.224 -11.428 7.749 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 21.067 -10.204 7.337 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 24.979 -14.005 16.643 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 25.154 -13.427 15.876 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 24.236 -14.549 16.366 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 12.452 -11.897 9.244 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 13.425 -11.832 9.255 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 12.218 -12.115 10.169 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 20.664 -7.033 11.414 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 20.303 -7.511 10.644 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 20.638 -6.091 11.144 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 14.917 -8.657 7.000 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 14.901 -9.245 7.765 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 15.461 -9.145 6.334 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 17.484 -5.564 8.842 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 18.395 -5.861 8.791 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 17.551 -4.621 9.115 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 13.758 -3.744 8.941 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 14.222 -4.515 8.537 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 14.140 -3.686 9.846 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 14.196 -10.777 11.687 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 13.527 -11.411 11.993 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 14.698 -11.268 11.010 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 20.476 -17.928 12.909 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 20.720 -18.740 13.363 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 19.829 -18.219 12.223 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 20.107 -13.000 8.473 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 21.023 -13.180 8.771 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 19.724 -13.898 8.330 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 13.406 -8.339 10.665 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 13.502 -9.277 10.944 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 12.780 -8.373 9.916 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 17.935 -12.020 9.903 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 18.626 -12.257 9.248 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 18.173 -12.548 10.697 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 18.748 -13.321 12.150 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 19.144 -12.593 12.663 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 19.330 -14.090 12.341 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 15.243 -11.955 9.329 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 15.255 -12.348 8.447 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 16.190 -11.956 9.602 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 24.103 -12.096 12.441 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 23.646 -12.915 12.649 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 24.629 -11.906 13.243 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 16.273 -10.188 5.236 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 16.907 -10.861 5.578 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 16.403 -10.206 4.285 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 23.154 -11.445 9.903 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 22.990 -12.376 9.650 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 23.622 -11.512 10.763 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 15.838 -7.508 11.572 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 14.996 -7.761 11.135 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 16.519 -8.036 11.101 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 18.134 -11.987 6.024 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 18.536 -12.862 6.011 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 18.833 -11.407 6.397 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 14.911 -6.144 8.217 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 14.990 -6.974 7.703 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 15.842 -5.936 8.477 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 26.850 -6.783 16.181 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 26.067 -7.217 15.791 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 26.734 -5.847 15.952 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 20.552 -15.168 13.062 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 20.513 -16.126 13.281 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 20.763 -14.730 13.918 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 22.562 -14.071 9.226 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 23.117 -14.493 8.557 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 22.155 -14.822 9.710 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 22.916 -4.304 12.383 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 22.161 -4.356 11.762 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 23.597 -4.873 11.972 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 12.676 -7.608 5.808 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 13.512 -8.011 6.127 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 12.735 -7.667 4.852 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 13.226 -5.876 18.942 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 12.654 -6.676 18.953 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 14.071 -6.183 19.330 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 21.882 -6.945 18.641 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 22.679 -6.694 19.155 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 22.090 -6.666 17.728 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 16.095 -13.489 12.934 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 16.444 -13.399 13.846 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 16.895 -13.529 12.380 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 17.373 -13.337 15.320 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 17.799 -12.654 15.897 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 18.039 -14.033 15.253 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 16.236 -18.521 11.764 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 15.766 -17.686 11.839 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 15.595 -19.189 12.096 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 22.461 -12.902 19.198 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 22.137 -12.497 18.374 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 23.430 -12.792 19.153 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 22.405 -9.282 15.567 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 22.121 -8.386 15.827 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 22.712 -9.174 14.653 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 15.190 -13.338 17.043 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 15.867 -13.377 16.338 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 15.711 -13.293 17.868 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 18.814 -18.821 10.962 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 18.730 -19.568 10.363 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 17.890 -18.654 11.270 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 10.033 -16.554 18.089 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 10.010 -17.435 18.473 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 10.233 -15.966 18.846 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 11.330 -4.785 9.728 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 11.373 -5.655 9.261 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 12.156 -4.329 9.447 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 12.703 -6.028 11.869 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 12.992 -6.881 11.462 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 12.094 -5.646 11.209 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 21.142 -6.824 26.761 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 20.882 -6.546 27.647 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 22.051 -7.125 26.864 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 28.821 -5.695 14.513 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 28.467 -6.394 15.095 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 29.760 -5.668 14.718 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 24.657 -10.314 16.945 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 25.084 -9.569 17.436 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 23.818 -9.932 16.616 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 10.772 -10.008 12.308 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 11.313 -9.659 13.037 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 11.116 -10.913 12.169 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 25.135 -12.308 18.787 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 25.288 -13.070 18.185 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 25.028 -11.544 18.179 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 25.454 -11.902 14.882 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 25.141 -11.313 15.611 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 26.391 -11.691 14.795 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 11.330 -15.477 15.850 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 10.852 -15.965 16.554 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 10.746 -15.551 15.065 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 14.279 -20.160 12.771 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 13.392 -19.854 12.992 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 14.322 -21.050 13.136 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 22.236 -3.202 8.520 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 22.879 -2.667 9.005 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 22.014 -2.665 7.748 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 19.513 -6.919 16.863 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 19.730 -7.016 17.802 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 20.372 -6.733 16.440 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 12.845 -2.342 13.584 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 13.381 -2.703 14.324 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 13.162 -1.416 13.490 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 14.618 -3.252 15.494 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 15.591 -3.293 15.455 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 14.352 -4.166 15.732 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 21.872 -3.932 14.865 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 22.148 -3.060 15.173 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 22.294 -4.018 13.974 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 22.098 -6.444 15.943 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 21.870 -5.553 15.598 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 23.018 -6.595 15.616 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 26.265 -4.762 14.209 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 27.219 -4.991 14.132 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 26.203 -3.877 13.837 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 14.165 -3.729 11.624 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 13.828 -4.642 11.750 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 13.682 -3.205 12.295 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 15.880 -5.424 13.352 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 15.841 -6.075 12.613 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 15.701 -4.573 12.926 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 19.372 -4.891 14.275 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 18.788 -4.401 14.900 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 20.275 -4.574 14.492 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 25.719 -8.211 18.258 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 26.321 -7.652 17.729 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 25.276 -7.584 18.861 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 10.589 -14.827 23.985 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 10.864 -14.847 24.926 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 9.947 -15.542 23.914 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 11.096 -15.103 26.745 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 10.911 -15.629 27.558 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 11.036 -14.186 27.040 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 18.812 -14.039 21.164 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 19.594 -13.448 21.244 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 18.971 -14.726 21.816 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 21.064 -12.535 21.473 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 21.795 -12.461 22.132 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 21.530 -12.735 20.624 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 14.408 -15.948 23.526 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 15.282 -16.318 23.669 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 13.891 -16.245 24.308 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 23.305 -12.167 22.980 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 24.001 -11.900 22.341 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 23.769 -12.235 23.817 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 13.249 -11.221 23.338 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 14.065 -10.797 22.983 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 13.559 -12.052 23.710 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 15.778 -9.039 25.359 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 15.042 -8.547 25.778 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 15.480 -9.954 25.362 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 24.252 -6.625 20.057 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 24.077 -7.521 20.442 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 24.572 -6.107 20.802 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 25.280 -11.331 21.300 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 26.223 -11.161 21.406 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 25.215 -11.778 20.420 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 13.073 -16.760 25.759 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 12.397 -16.135 26.093 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 12.985 -17.530 26.328 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 10.855 -16.454 29.120 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 11.551 -16.583 29.775 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 10.074 -16.852 29.522 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 17.263 -13.593 18.974 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 17.350 -14.515 18.711 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 17.702 -13.555 19.854 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 19.826 -10.107 21.293 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 20.191 -11.023 21.297 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 19.605 -9.938 22.217 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 17.529 -8.712 20.677 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 17.550 -8.533 21.640 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 18.320 -9.263 20.523 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 17.632 -8.615 23.436 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 17.006 -8.732 24.190 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 18.335 -8.040 23.800 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 15.587 -10.284 22.302 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 15.855 -10.288 21.372 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 16.283 -9.765 22.745 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 21.513 -9.594 19.192 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 20.874 -9.682 19.933 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 21.562 -8.625 19.028 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 16.343 -5.996 17.397 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 16.234 -6.406 18.279 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 15.436 -5.989 17.023 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 17.428 -5.173 23.831 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 16.660 -5.301 24.431 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 18.110 -5.786 24.177 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 14.895 -5.616 24.975 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 14.123 -5.117 25.298 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 14.801 -6.490 25.391 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 12.461 -14.961 21.872 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 13.278 -15.326 22.281 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 11.830 -14.909 22.613 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 14.586 -9.618 18.490 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 15.286 -9.525 17.813 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 14.706 -8.844 19.061 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 23.668 -9.109 20.877 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 22.991 -9.475 20.274 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 24.219 -9.881 21.113 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 18.632 -11.891 17.149 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 18.286 -12.319 17.957 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 19.565 -11.696 17.357 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 21.400 -11.336 17.141 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 21.703 -10.747 16.418 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 21.408 -10.752 17.940 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 17.391 -1.857 19.633 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 16.512 -2.185 19.897 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 17.971 -2.133 20.361 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 9.731 -6.743 22.827 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 9.971 -6.764 23.759 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 9.082 -7.471 22.731 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 13.659 -7.654 26.503 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 13.241 -8.079 27.261 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 13.134 -6.834 26.370 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 19.540 -6.894 24.496 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 20.260 -6.733 23.876 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 19.982 -6.910 25.377 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 15.955 0.385 14.381 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 16.293 1.246 14.107 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 15.116 0.282 13.870 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 18.988 -3.197 12.145 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 18.658 -2.480 12.736 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 19.106 -3.961 12.748 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 17.915 -1.571 14.064 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 18.028 -1.737 15.014 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 17.227 -0.881 14.027 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 17.537 -1.355 16.972 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 17.555 -1.496 17.952 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 17.288 -0.430 16.874 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 13.735 5.795 17.974 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 13.476 6.269 18.771 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 14.486 6.294 17.632 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 13.544 0.277 13.152 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 13.356 0.264 12.185 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 12.866 0.877 13.523 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 13.369 -0.546 10.519 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 12.933 -0.643 9.652 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 13.871 -1.363 10.624 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 12.386 3.435 17.379 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 12.775 4.337 17.404 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 12.785 2.986 18.152 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 13.264 2.331 19.776 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 12.419 2.608 20.203 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 13.919 2.407 20.479 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 14.009 -0.492 16.249 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 14.765 -0.137 15.743 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 14.119 -1.461 16.188 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 9.850 0.896 21.993 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 9.967 0.348 21.189 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 10.243 1.760 21.748 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 17.573 -3.935 16.084 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 17.594 -3.072 16.555 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 17.262 -4.573 16.764 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 15.530 -7.130 19.812 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 15.418 -6.611 20.646 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 16.284 -7.740 20.012 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 12.068 1.559 15.254 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 12.551 0.797 15.626 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 12.158 2.255 15.938 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 10.320 -1.576 12.802 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 11.170 -1.885 13.186 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 10.391 -1.808 11.852 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 8.586 0.468 12.136 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 8.856 1.079 12.858 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 9.252 -0.245 12.173 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 8.765 -1.784 17.555 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 7.918 -1.467 17.909 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 8.831 -1.359 16.672 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 24.494 -6.030 10.851 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 25.436 -6.083 10.657 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 24.063 -6.044 9.962 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 12.326 -1.583 8.139 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 12.408 -1.389 7.197 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 12.897 -2.376 8.273 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 23.169 -5.906 8.488 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 22.811 -5.007 8.359 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 22.437 -6.490 8.259 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 11.333 -4.061 19.817 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 11.812 -3.264 20.140 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 12.046 -4.649 19.490 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 13.871 -5.836 16.286 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 13.454 -5.784 17.176 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 13.145 -6.123 15.695 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 17.841 -2.930 22.296 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 17.789 -3.758 22.826 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 18.396 -2.347 22.823 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 9.856 -1.099 25.256 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 10.215 -0.220 25.522 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 8.896 -0.971 25.256 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 12.851 -2.029 20.734 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 13.787 -2.298 20.864 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 12.897 -1.307 20.074 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 7.413 -3.331 26.595 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 7.292 -2.649 25.896 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 6.722 -3.119 27.249 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 10.102 -3.774 25.758 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 10.227 -2.819 25.561 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 9.232 -3.809 26.204 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 8.283 3.151 25.363 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 8.224 3.957 24.834 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 7.623 3.273 26.057 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 12.701 -0.125 18.758 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 12.950 0.785 19.032 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 13.159 -0.252 17.900 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 15.344 -5.709 22.105 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 16.230 -5.553 22.491 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 14.774 -5.843 22.880 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 10.448 1.482 25.876 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 11.162 2.062 26.154 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 9.704 2.087 25.687 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 15.356 -3.062 21.131 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 15.147 -4.010 21.252 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 16.153 -2.923 21.683 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 10.851 3.163 20.747 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 10.728 4.128 20.901 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 10.324 2.984 19.937 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 12.419 -5.154 26.355 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 11.596 -4.761 25.979 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 12.516 -4.716 27.208 1.00 0.00 WAT1 END